Starting phenix.real_space_refine on Thu Feb 15 16:15:23 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.7 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdj_25831/02_2024/7tdj_25831_neut_updated.pdb" } resolution = 3.7 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= 0.000 sd= 0.003 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 7 Type Number sf(0) Gaussians Ca 8 9.91 5 Zn 4 6.06 5 P 12 5.49 5 S 628 5.16 5 C 74080 2.51 5 N 20744 2.21 5 O 21636 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 139": "OE1" <-> "OE2" Residue "A TYR 213": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 247": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 396": "OE1" <-> "OE2" Residue "A GLU 439": "OE1" <-> "OE2" Residue "A GLU 453": "OE1" <-> "OE2" Residue "A GLU 457": "OE1" <-> "OE2" Residue "A GLU 462": "OE1" <-> "OE2" Residue "A GLU 463": "OE1" <-> "OE2" Residue "A PHE 478": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 509": "OE1" <-> "OE2" Residue "A GLU 562": "OE1" <-> "OE2" Residue "A GLU 630": "OE1" <-> "OE2" Residue "A TYR 663": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 910": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1051": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1181": "OE1" <-> "OE2" Residue "A GLU 1183": "OE1" <-> "OE2" Residue "A GLU 1655": "OE1" <-> "OE2" Residue "A GLU 1733": "OE1" <-> "OE2" Residue "A GLU 2115": "OE1" <-> "OE2" Residue "A PHE 2754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 2882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 3657": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 3665": "OE1" <-> "OE2" Residue "A ASP 3696": "OD1" <-> "OD2" Residue "A GLU 3811": "OE1" <-> "OE2" Residue "A ASP 3941": "OD1" <-> "OD2" Residue "A GLU 3944": "OE1" <-> "OE2" Residue "A GLU 4011": "OE1" <-> "OE2" Residue "A GLU 4056": "OE1" <-> "OE2" Residue "A PHE 4103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4138": "OD1" <-> "OD2" Residue "A GLU 4168": "OE1" <-> "OE2" Residue "A GLU 4199": "OE1" <-> "OE2" Residue "A GLU 4212": "OE1" <-> "OE2" Residue "A TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4633": "OE1" <-> "OE2" Residue "A GLU 4634": "OE1" <-> "OE2" Residue "A ASP 4694": "OD1" <-> "OD2" Residue "A ASP 4696": "OD1" <-> "OD2" Residue "A ASP 4786": "OD1" <-> "OD2" Residue "A ASP 4868": "OD1" <-> "OD2" Residue "A GLU 4869": "OE1" <-> "OE2" Residue "A ASP 4877": "OD1" <-> "OD2" Residue "A GLU 4900": "OE1" <-> "OE2" Residue "A PHE 4920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4923": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 5007": "OE1" <-> "OE2" Residue "B GLU 139": "OE1" <-> "OE2" Residue "B TYR 213": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 247": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 396": "OE1" <-> "OE2" Residue "B GLU 439": "OE1" <-> "OE2" Residue "B GLU 453": "OE1" <-> "OE2" Residue "B GLU 457": "OE1" <-> "OE2" Residue "B GLU 462": "OE1" <-> "OE2" Residue "B GLU 463": "OE1" <-> "OE2" Residue "B PHE 478": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 509": "OE1" <-> "OE2" Residue "B GLU 562": "OE1" <-> "OE2" Residue "B GLU 630": "OE1" <-> "OE2" Residue "B TYR 663": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 910": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 1051": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 1181": "OE1" <-> "OE2" Residue "B GLU 1183": "OE1" <-> "OE2" Residue "B GLU 1655": "OE1" <-> "OE2" Residue "B GLU 1733": "OE1" <-> "OE2" Residue "B GLU 2115": "OE1" <-> "OE2" Residue "B PHE 2754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 2882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 3657": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 3665": "OE1" <-> "OE2" Residue "B ASP 3696": "OD1" <-> "OD2" Residue "B GLU 3811": "OE1" <-> "OE2" Residue "B ASP 3941": "OD1" <-> "OD2" Residue "B GLU 3944": "OE1" <-> "OE2" Residue "B GLU 4011": "OE1" <-> "OE2" Residue "B GLU 4056": "OE1" <-> "OE2" Residue "B PHE 4103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 4138": "OD1" <-> "OD2" Residue "B GLU 4168": "OE1" <-> "OE2" Residue "B GLU 4199": "OE1" <-> "OE2" Residue "B GLU 4212": "OE1" <-> "OE2" Residue "B TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 4633": "OE1" <-> "OE2" Residue "B GLU 4634": "OE1" <-> "OE2" Residue "B ASP 4694": "OD1" <-> "OD2" Residue "B ASP 4696": "OD1" <-> "OD2" Residue "B ASP 4786": "OD1" <-> "OD2" Residue "B ASP 4868": "OD1" <-> "OD2" Residue "B GLU 4869": "OE1" <-> "OE2" Residue "B ASP 4877": "OD1" <-> "OD2" Residue "B GLU 4900": "OE1" <-> "OE2" Residue "B PHE 4920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 4923": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 5007": "OE1" <-> "OE2" Residue "C GLU 139": "OE1" <-> "OE2" Residue "C TYR 213": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 247": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 396": "OE1" <-> "OE2" Residue "C GLU 439": "OE1" <-> "OE2" Residue "C GLU 453": "OE1" <-> "OE2" Residue "C GLU 457": "OE1" <-> "OE2" Residue "C GLU 462": "OE1" <-> "OE2" Residue "C GLU 463": "OE1" <-> "OE2" Residue "C PHE 478": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 509": "OE1" <-> "OE2" Residue "C GLU 562": "OE1" <-> "OE2" Residue "C GLU 630": "OE1" <-> "OE2" Residue "C TYR 663": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 910": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 1051": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1181": "OE1" <-> "OE2" Residue "C GLU 1183": "OE1" <-> "OE2" Residue "C GLU 1655": "OE1" <-> "OE2" Residue "C GLU 1733": "OE1" <-> "OE2" Residue "C GLU 2115": "OE1" <-> "OE2" Residue "C TYR 2142": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 2754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 2882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 3657": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 3665": "OE1" <-> "OE2" Residue "C ASP 3696": "OD1" <-> "OD2" Residue "C GLU 3811": "OE1" <-> "OE2" Residue "C ASP 3941": "OD1" <-> "OD2" Residue "C GLU 3944": "OE1" <-> "OE2" Residue "C GLU 4011": "OE1" <-> "OE2" Residue "C GLU 4056": "OE1" <-> "OE2" Residue "C PHE 4103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4138": "OD1" <-> "OD2" Residue "C GLU 4168": "OE1" <-> "OE2" Residue "C GLU 4199": "OE1" <-> "OE2" Residue "C GLU 4212": "OE1" <-> "OE2" Residue "C TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 4633": "OE1" <-> "OE2" Residue "C GLU 4634": "OE1" <-> "OE2" Residue "C ASP 4694": "OD1" <-> "OD2" Residue "C ASP 4696": "OD1" <-> "OD2" Residue "C ASP 4786": "OD1" <-> "OD2" Residue "C ASP 4868": "OD1" <-> "OD2" Residue "C GLU 4869": "OE1" <-> "OE2" Residue "C ASP 4877": "OD1" <-> "OD2" Residue "C GLU 4900": "OE1" <-> "OE2" Residue "C PHE 4920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 4923": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 5007": "OE1" <-> "OE2" Residue "D GLU 139": "OE1" <-> "OE2" Residue "D TYR 213": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 247": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 396": "OE1" <-> "OE2" Residue "D GLU 439": "OE1" <-> "OE2" Residue "D GLU 453": "OE1" <-> "OE2" Residue "D GLU 457": "OE1" <-> "OE2" Residue "D GLU 462": "OE1" <-> "OE2" Residue "D GLU 463": "OE1" <-> "OE2" Residue "D PHE 478": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 509": "OE1" <-> "OE2" Residue "D GLU 562": "OE1" <-> "OE2" Residue "D GLU 630": "OE1" <-> "OE2" Residue "D TYR 663": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 910": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 1051": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1181": "OE1" <-> "OE2" Residue "D GLU 1183": "OE1" <-> "OE2" Residue "D GLU 1655": "OE1" <-> "OE2" Residue "D GLU 1733": "OE1" <-> "OE2" Residue "D PHE 1748": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 2115": "OE1" <-> "OE2" Residue "D PHE 2754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 2882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 3657": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 3665": "OE1" <-> "OE2" Residue "D ASP 3696": "OD1" <-> "OD2" Residue "D GLU 3811": "OE1" <-> "OE2" Residue "D ASP 3941": "OD1" <-> "OD2" Residue "D GLU 3944": "OE1" <-> "OE2" Residue "D GLU 4011": "OE1" <-> "OE2" Residue "D GLU 4056": "OE1" <-> "OE2" Residue "D PHE 4103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4138": "OD1" <-> "OD2" Residue "D GLU 4168": "OE1" <-> "OE2" Residue "D GLU 4199": "OE1" <-> "OE2" Residue "D GLU 4212": "OE1" <-> "OE2" Residue "D TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4633": "OE1" <-> "OE2" Residue "D GLU 4634": "OE1" <-> "OE2" Residue "D ASP 4694": "OD1" <-> "OD2" Residue "D ASP 4696": "OD1" <-> "OD2" Residue "D ASP 4786": "OD1" <-> "OD2" Residue "D ASP 4868": "OD1" <-> "OD2" Residue "D GLU 4869": "OE1" <-> "OE2" Residue "D ASP 4877": "OD1" <-> "OD2" Residue "D GLU 4900": "OE1" <-> "OE2" Residue "D PHE 4920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4923": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 5007": "OE1" <-> "OE2" Time to flip residues: 0.33s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 117112 Number of models: 1 Model: "" Number of chains: 12 Chain: "A" Number of atoms: 29242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4133, 29242 Classifications: {'peptide': 4133} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1198} Link IDs: {'PTRANS': 152, 'TRANS': 3980} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2877 Unresolved non-hydrogen angles: 4040 Unresolved non-hydrogen dihedrals: 1771 Unresolved non-hydrogen chiralities: 44 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 3, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 76, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1664 Chain: "B" Number of atoms: 29242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4133, 29242 Classifications: {'peptide': 4133} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1198} Link IDs: {'PTRANS': 152, 'TRANS': 3980} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2877 Unresolved non-hydrogen angles: 4040 Unresolved non-hydrogen dihedrals: 1771 Unresolved non-hydrogen chiralities: 44 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 3, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 76, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1664 Chain: "C" Number of atoms: 29242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4133, 29242 Classifications: {'peptide': 4133} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1198} Link IDs: {'PTRANS': 152, 'TRANS': 3980} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2877 Unresolved non-hydrogen angles: 4040 Unresolved non-hydrogen dihedrals: 1771 Unresolved non-hydrogen chiralities: 44 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 3, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 76, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1664 Chain: "D" Number of atoms: 29242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4133, 29242 Classifications: {'peptide': 4133} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1198} Link IDs: {'PTRANS': 152, 'TRANS': 3980} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2877 Unresolved non-hydrogen angles: 4040 Unresolved non-hydrogen dihedrals: 1771 Unresolved non-hydrogen chiralities: 44 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 3, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 76, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1664 Chain: "A" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "B" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "C" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "D" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "A" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "B" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "C" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "D" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 28592 SG CYS A4961 179.579 204.249 99.531 1.00 59.80 S ATOM 29149 SG CYS A5027 181.006 206.361 95.617 1.00 69.40 S ATOM 57834 SG CYS B4961 182.487 179.594 99.521 1.00 59.80 S ATOM 87076 SG CYS C4961 207.166 182.488 99.513 1.00 59.80 S ATOM A0CLA SG CYS D4961 204.275 207.152 99.515 1.00 59.80 S Time building chain proxies: 42.20, per 1000 atoms: 0.36 Number of scatterers: 117112 At special positions: 0 Unit cell: (387.855, 387.855, 192.27, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 4 29.99 Ca 8 19.99 S 628 16.00 P 12 15.00 O 21636 8.00 N 20744 7.00 C 74080 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=4, symmetry=0 Simple disulfide: pdb=" SG CYS A4876 " - pdb=" SG CYS A4882 " distance=2.03 Simple disulfide: pdb=" SG CYS B4876 " - pdb=" SG CYS B4882 " distance=2.03 Simple disulfide: pdb=" SG CYS C4876 " - pdb=" SG CYS C4882 " distance=2.03 Simple disulfide: pdb=" SG CYS D4876 " - pdb=" SG CYS D4882 " distance=2.03 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 33.99 Conformation dependent library (CDL) restraints added in 13.3 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5102 " pdb="ZN ZN A5102 " - pdb=" ND1 HIS A4983 " pdb="ZN ZN A5102 " - pdb=" SG CYS A4961 " pdb="ZN ZN A5102 " - pdb=" SG CYS A5027 " pdb=" ZN B5102 " pdb="ZN ZN B5102 " - pdb=" NE2 HIS B4978 " pdb="ZN ZN B5102 " - pdb=" ND1 HIS B4983 " pdb="ZN ZN B5102 " - pdb=" SG CYS B4961 " pdb=" ZN C5102 " pdb="ZN ZN C5102 " - pdb=" SG CYS C4961 " pdb="ZN ZN C5102 " - pdb=" NE2 HIS C4978 " pdb="ZN ZN C5102 " - pdb=" ND1 HIS C4983 " pdb=" ZN D5102 " pdb="ZN ZN D5102 " - pdb=" SG CYS D4961 " pdb="ZN ZN D5102 " - pdb=" NE2 HIS D4978 " pdb="ZN ZN D5102 " - pdb=" ND1 HIS D4983 " 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31352 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: 480 helices and 64 sheets defined 54.4% alpha, 6.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 30.18 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.488A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 74 through 84 Processing helix chain 'A' and resid 249 through 256 removed outlier: 4.815A pdb=" N CYS A 253 " --> pdb=" O GLY A 249 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N THR A 254 " --> pdb=" O GLY A 250 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 5.087A pdb=" N ALA A 256 " --> pdb=" O VAL A 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 249 through 256' Processing helix chain 'A' and resid 364 through 371 removed outlier: 5.502A pdb=" N VAL A 371 " --> pdb=" O LEU A 367 " (cutoff:3.500A) Processing helix chain 'A' and resid 396 through 423 removed outlier: 3.691A pdb=" N SER A 420 " --> pdb=" O LYS A 416 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N PHE A 421 " --> pdb=" O GLY A 417 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N SER A 422 " --> pdb=" O LEU A 418 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N GLY A 423 " --> pdb=" O ASP A 419 " (cutoff:3.500A) Processing helix chain 'A' and resid 437 through 453 removed outlier: 4.147A pdb=" N VAL A 441 " --> pdb=" O PRO A 437 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILE A 442 " --> pdb=" O ILE A 438 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU A 443 " --> pdb=" O GLU A 439 " (cutoff:3.500A) Processing helix chain 'A' and resid 460 through 482 removed outlier: 3.652A pdb=" N GLN A 479 " --> pdb=" O GLN A 475 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N GLU A 480 " --> pdb=" O SER A 476 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N GLU A 481 " --> pdb=" O LEU A 477 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY A 482 " --> pdb=" O PHE A 478 " (cutoff:3.500A) Processing helix chain 'A' and resid 483 through 496 removed outlier: 4.641A pdb=" N VAL A 487 " --> pdb=" O MET A 483 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N VAL A 496 " --> pdb=" O ASP A 492 " (cutoff:3.500A) Processing helix chain 'A' and resid 512 through 531 removed outlier: 4.267A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N TYR A 523 " --> pdb=" O VAL A 519 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU A 524 " --> pdb=" O ASN A 520 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 541 removed outlier: 3.751A pdb=" N CYS A 537 " --> pdb=" O ASN A 533 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALA A 538 " --> pdb=" O ARG A 534 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N LEU A 539 " --> pdb=" O ALA A 535 " (cutoff:3.500A) removed outlier: 4.703A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) removed outlier: 5.431A 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: 3.693A pdb=" N LYS A 550 " --> pdb=" O TRP A 546 " (cutoff:3.500A) removed outlier: 4.836A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 556 through 571 removed outlier: 3.803A pdb=" N VAL A 567 " --> pdb=" O VAL A 563 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N LEU A 568 " --> pdb=" O LEU A 564 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ILE A 569 " --> pdb=" O TYR A 565 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N GLU A 570 " --> pdb=" O CYS A 566 " (cutoff:3.500A) Processing helix chain 'A' and resid 572 through 578 removed outlier: 4.412A pdb=" N ASN A 576 " --> pdb=" O PRO A 572 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) removed outlier: 3.627A 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: 3.563A pdb=" N LEU A 590 " --> pdb=" O ILE A 586 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASP A 591 " --> pdb=" O ILE A 587 " (cutoff:3.500A) Processing helix chain 'A' and resid 596 through 609 removed outlier: 3.863A pdb=" N LEU A 600 " --> pdb=" O ASN A 596 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 626 removed outlier: 4.306A pdb=" N GLN A 618 " --> pdb=" O VAL A 614 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N LEU A 626 " --> pdb=" O THR A 622 " (cutoff:3.500A) Processing helix chain 'A' and resid 868 through 890 removed outlier: 3.853A pdb=" N GLU A 872 " --> pdb=" O GLU A 868 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N LYS A 873 " --> pdb=" O ARG A 869 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N TRP A 882 " --> pdb=" O ILE A 878 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ALA A 883 " --> pdb=" O HIS A 879 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLU A 888 " --> pdb=" O LEU A 884 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N GLN A 889 " --> pdb=" O THR A 885 " (cutoff:3.500A) Processing helix chain 'A' and resid 914 through 935 removed outlier: 5.399A pdb=" N LEU A 935 " --> pdb=" O THR A 931 " (cutoff:3.500A) Processing helix chain 'A' and resid 943 through 948 removed outlier: 6.694A pdb=" N GLU A 947 " --> pdb=" O ASP A 943 " (cutoff:3.500A) removed outlier: 4.269A 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 1001 removed outlier: 4.452A pdb=" N THR A 982 " --> pdb=" O THR A 978 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N ASP A 999 " --> pdb=" O VAL A 995 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ARG A1000 " --> pdb=" O TRP A 996 " (cutoff:3.500A) Processing helix chain 'A' and resid 1030 through 1045 removed outlier: 3.535A pdb=" N ASP A1037 " --> pdb=" O ARG A1033 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER A1038 " --> pdb=" O SER A1034 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LEU A1039 " --> pdb=" O ASN A1035 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N THR A1045 " --> pdb=" O GLN A1041 " (cutoff:3.500A) Processing helix chain 'A' and resid 1207 through 1212 removed outlier: 3.857A pdb=" N LEU A1211 " --> pdb=" O ASP A1207 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N ARG A1212 " --> pdb=" O VAL A1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1207 through 1212' Processing helix chain 'A' and resid 1574 through 1581 removed outlier: 4.282A pdb=" N ALA A1578 " --> pdb=" O PRO A1574 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N MET A1579 " --> pdb=" O LEU A1575 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE A1580 " --> pdb=" O SER A1576 " (cutoff:3.500A) removed outlier: 3.886A 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 1657 removed outlier: 4.001A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) removed outlier: 5.616A pdb=" N GLU A1655 " --> pdb=" O LEU A1651 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ARG A1656 " --> pdb=" O GLU A1652 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEU A1657 " --> pdb=" O LEU A1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1649 through 1657' Processing helix chain 'A' and resid 1658 through 1675 Processing helix chain 'A' and resid 1678 through 1690 removed outlier: 4.417A pdb=" N ALA A1682 " --> pdb=" O ASN A1678 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N HIS A1683 " --> pdb=" O ASN A1679 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ALA A1684 " --> pdb=" O ARG A1680 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ASP A1690 " --> pdb=" O CYS A1686 " (cutoff:3.500A) Processing helix chain 'A' and resid 1691 through 1700 removed outlier: 3.804A pdb=" N LEU A1698 " --> pdb=" O LEU A1694 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1719 removed outlier: 6.825A pdb=" N ARG A1708 " --> pdb=" O PRO A1704 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALA A1709 " --> pdb=" O GLY A1705 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N HIS A1719 " --> pdb=" O LEU A1715 " (cutoff:3.500A) Processing helix chain 'A' and resid 1720 through 1732 removed outlier: 4.422A pdb=" N SER A1732 " --> pdb=" O ARG A1728 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1746 removed outlier: 4.069A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N THR A1746 " --> pdb=" O THR A1742 " (cutoff:3.500A) Processing helix chain 'A' and resid 1754 through 1759 removed outlier: 4.272A pdb=" N ARG A1759 " --> pdb=" O GLY A1755 " (cutoff:3.500A) Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 3.747A pdb=" N VAL A1819 " --> pdb=" O LEU A1815 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ARG A1820 " --> pdb=" O GLY A1816 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N GLN A1824 " --> pdb=" O ARG A1820 " (cutoff:3.500A) removed outlier: 4.555A 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: 3.847A pdb=" N MET A1851 " --> pdb=" O THR A1847 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLY A1852 " --> pdb=" O LEU A1848 " (cutoff:3.500A) Processing helix chain 'A' and resid 1855 through 1865 removed outlier: 4.221A pdb=" N MET A1865 " --> pdb=" O GLN A1861 " (cutoff:3.500A) Processing helix chain 'A' and resid 1866 through 1871 Processing helix chain 'A' and resid 1934 through 1984 removed outlier: 4.148A pdb=" N GLN A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR A1945 " --> pdb=" O ASN A1941 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N PHE A1946 " --> pdb=" O LEU A1942 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLU A1950 " --> pdb=" O PHE A1946 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N LEU A1951 " --> pdb=" O CYS A1947 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU A1963 " --> pdb=" O ALA A1959 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG A1964 " --> pdb=" O ALA A1960 " (cutoff:3.500A) removed outlier: 5.248A pdb=" N PHE A1984 " --> pdb=" O LEU A1980 " (cutoff:3.500A) Processing helix chain 'A' and resid 1987 through 1999 removed outlier: 4.207A pdb=" N ARG A1996 " --> pdb=" O ALA A1992 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N GLU A1997 " --> pdb=" O ARG A1993 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE A1998 " --> pdb=" O ARG A1994 " (cutoff:3.500A) Processing helix chain 'A' and resid 2001 through 2015 removed outlier: 3.624A pdb=" N LEU A2009 " --> pdb=" O GLN A2005 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LEU A2010 " --> pdb=" O ILE A2006 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLU A2015 " --> pdb=" O HIS A2011 " (cutoff:3.500A) Processing helix chain 'A' and resid 2027 through 2043 removed outlier: 4.717A pdb=" N LEU A2031 " --> pdb=" O ILE A2027 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLN A2032 " --> pdb=" O ARG A2028 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2109 removed outlier: 4.229A pdb=" N ASP A2109 " --> pdb=" O TRP A2105 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 3.594A pdb=" N VAL A2117 " --> pdb=" O SER A2113 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY A2130 " --> pdb=" O ARG A2126 " (cutoff:3.500A) Processing helix chain 'A' and resid 2131 through 2139 Proline residue: A2139 - end of helix Processing helix chain 'A' and resid 2148 through 2169 removed outlier: 4.044A pdb=" N SER A2154 " --> pdb=" O GLU A2150 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU A2155 " --> pdb=" O ASP A2151 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) removed outlier: 5.545A pdb=" N GLN A2169 " --> pdb=" O LEU A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2188 removed outlier: 3.816A pdb=" N ASN A2176 " --> pdb=" O PRO A2172 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU A2177 " --> pdb=" O GLN A2173 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N ASN A2187 " --> pdb=" O GLY A2183 " (cutoff:3.500A) removed outlier: 4.714A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) Processing helix chain 'A' and resid 2189 through 2195 removed outlier: 4.658A pdb=" N GLN A2193 " --> pdb=" O LYS A2189 " (cutoff:3.500A) removed outlier: 3.600A 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: 4.177A pdb=" N ASN A2213 " --> pdb=" O GLU A2209 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N VAL A2214 " --> pdb=" O VAL A2210 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU A2215 " --> pdb=" O MET A2211 " (cutoff:3.500A) Processing helix chain 'A' and resid 2226 through 2244 removed outlier: 6.776A pdb=" N THR A2230 " --> pdb=" O PRO A2226 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER A2231 " --> pdb=" O LYS A2227 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.187A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2255 removed outlier: 3.906A pdb=" N SER A2249 " --> pdb=" O GLN A2245 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N HIS A2253 " --> pdb=" O SER A2249 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N LEU A2254 " --> pdb=" O MET A2250 " (cutoff:3.500A) removed outlier: 5.067A pdb=" N SER A2255 " --> pdb=" O PHE A2251 " (cutoff:3.500A) Processing helix chain 'A' and resid 2256 through 2265 removed outlier: 3.569A pdb=" N ASN A2260 " --> pdb=" O TYR A2256 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N ILE A2263 " --> pdb=" O GLU A2259 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N GLY A2264 " --> pdb=" O ASN A2260 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEU A2265 " --> pdb=" O SER A2261 " (cutoff:3.500A) Processing helix chain 'A' and resid 2271 through 2282 removed outlier: 3.553A pdb=" N VAL A2275 " --> pdb=" O THR A2271 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALA A2276 " --> pdb=" O PRO A2272 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE A2281 " --> pdb=" O ALA A2277 " (cutoff:3.500A) removed outlier: 5.156A pdb=" N ASP A2282 " --> pdb=" O ALA A2278 " (cutoff:3.500A) Processing helix chain 'A' and resid 2286 through 2291 removed outlier: 3.747A pdb=" N LEU A2290 " --> pdb=" O LEU A2286 " (cutoff:3.500A) removed outlier: 4.593A 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 2308 removed outlier: 3.642A pdb=" N SER A2300 " --> pdb=" O GLU A2296 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2315 removed outlier: 3.605A pdb=" N LEU A2314 " --> pdb=" O CYS A2310 " (cutoff:3.500A) Processing helix chain 'A' and resid 2324 through 2341 removed outlier: 4.111A pdb=" N GLY A2328 " --> pdb=" O ASN A2324 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LEU A2332 " --> pdb=" O GLY A2328 " (cutoff:3.500A) removed outlier: 5.487A pdb=" N ASP A2333 " --> pdb=" O GLU A2329 " (cutoff:3.500A) removed outlier: 5.782A pdb=" N PHE A2334 " --> pdb=" O ARG A2330 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LEU A2335 " --> pdb=" O TYR A2331 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N VAL A2341 " --> pdb=" O PHE A2337 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2361 removed outlier: 4.300A pdb=" N VAL A2352 " --> pdb=" O GLU A2348 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ARG A2359 " --> pdb=" O ARG A2355 " (cutoff:3.500A) removed outlier: 4.580A 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 Processing helix chain 'A' and resid 2448 through 2462 removed outlier: 4.651A pdb=" N ARG A2452 " --> pdb=" O GLY A2448 " (cutoff:3.500A) removed outlier: 3.743A 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 2473 removed outlier: 3.999A pdb=" N GLY A2468 " --> pdb=" O ASP A2464 " (cutoff:3.500A) Proline residue: A2473 - end of helix Processing helix chain 'A' and resid 2751 through 2774 removed outlier: 4.815A pdb=" N ILE A2755 " --> pdb=" O LEU A2751 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ALA A2759 " --> pdb=" O ILE A2755 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N THR A2762 " --> pdb=" O PHE A2758 " (cutoff:3.500A) removed outlier: 5.070A pdb=" N HIS A2763 " --> pdb=" O ALA A2759 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N GLU A2764 " --> pdb=" O GLU A2760 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LYS A2765 " --> pdb=" O TYR A2761 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N TRP A2766 " --> pdb=" O THR A2762 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA A2767 " --> pdb=" O HIS A2763 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHE A2768 " --> pdb=" O GLU A2764 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N ASP A2769 " --> pdb=" O LYS A2765 " (cutoff:3.500A) removed outlier: 5.704A pdb=" N LYS A2770 " --> pdb=" O TRP A2766 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE A2771 " --> pdb=" O ALA A2767 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLN A2772 " --> pdb=" O PHE A2768 " (cutoff:3.500A) Processing helix chain 'A' and resid 2798 through 2804 removed outlier: 4.323A pdb=" N LYS A2802 " --> pdb=" O SER A2798 " (cutoff:3.500A) Processing helix chain 'A' and resid 2868 through 2879 removed outlier: 5.258A pdb=" N GLN A2872 " --> pdb=" O SER A2868 " (cutoff:3.500A) removed outlier: 4.753A pdb=" N ALA A2873 " --> pdb=" O ARG A2869 " (cutoff:3.500A) removed outlier: 8.198A pdb=" N MET A2874 " --> pdb=" O GLU A2870 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N ALA A2875 " --> pdb=" O LEU A2871 " (cutoff:3.500A) removed outlier: 6.072A pdb=" N GLU A2876 " --> pdb=" O GLN A2872 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N GLN A2877 " --> pdb=" O ALA A2873 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ALA A2879 " --> pdb=" O ALA A2875 " (cutoff:3.500A) Processing helix chain 'A' and resid 2880 through 2892 removed outlier: 4.374A pdb=" N LYS A2891 " --> pdb=" O GLY A2887 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N GLN A2892 " --> pdb=" O ARG A2888 " (cutoff:3.500A) Processing helix chain 'A' and resid 2920 through 2930 removed outlier: 4.833A pdb=" N GLU A2925 " --> pdb=" O GLU A2921 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS A2928 " --> pdb=" O GLN A2924 " (cutoff:3.500A) Processing helix chain 'A' and resid 3645 through 3656 removed outlier: 3.636A pdb=" N LEU A3654 " --> pdb=" O CYS A3650 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N GLU A3655 " --> pdb=" O ASN A3651 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N SER A3656 " --> pdb=" O MET A3652 " (cutoff:3.500A) Processing helix chain 'A' and resid 3668 through 3679 removed outlier: 3.663A pdb=" N LYS A3679 " --> pdb=" O ASP A3675 " (cutoff:3.500A) Processing helix chain 'A' and resid 3696 through 3711 Processing helix chain 'A' and resid 3719 through 3735 removed outlier: 3.506A pdb=" N SER A3732 " --> pdb=" O ILE A3728 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N CYS A3733 " --> pdb=" O MET A3729 " (cutoff:3.500A) Processing helix chain 'A' and resid 3752 through 3771 removed outlier: 4.384A pdb=" N ARG A3762 " --> pdb=" O MET A3758 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU A3763 " --> pdb=" O GLU A3759 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU A3764 " --> pdb=" O LYS A3760 " (cutoff:3.500A) removed outlier: 6.980A pdb=" N TYR A3765 " --> pdb=" O GLN A3761 " (cutoff:3.500A) removed outlier: 6.537A pdb=" N GLN A3766 " --> pdb=" O ARG A3762 " (cutoff:3.500A) removed outlier: 6.028A pdb=" N GLN A3767 " --> pdb=" O LEU A3763 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N SER A3768 " --> pdb=" O LEU A3764 " (cutoff:3.500A) Processing helix chain 'A' and resid 3774 through 3787 removed outlier: 3.512A pdb=" N MET A3778 " --> pdb=" O GLY A3774 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N LYS A3787 " --> pdb=" O ILE A3783 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 Processing helix chain 'A' and resid 3809 through 3824 Processing helix chain 'A' and resid 3826 through 3839 removed outlier: 6.618A pdb=" N GLN A3830 " --> pdb=" O VAL A3826 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3844 through 3858 removed outlier: 7.386A pdb=" N GLU A3848 " --> pdb=" O LEU A3844 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N ARG A3849 " --> pdb=" O ASN A3845 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLY A3855 " --> pdb=" O ASN A3851 " (cutoff:3.500A) Processing helix chain 'A' and resid 3877 through 3893 Processing helix chain 'A' and resid 3896 through 3905 removed outlier: 6.594A pdb=" N GLN A3900 " --> pdb=" O ASN A3896 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ASN A3901 " --> pdb=" O ASN A3897 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG A3904 " --> pdb=" O GLN A3900 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3938 Processing helix chain 'A' and resid 3944 through 3970 Processing helix chain 'A' and resid 3973 through 3984 removed outlier: 5.111A pdb=" N ARG A3984 " --> pdb=" O LEU A3980 " (cutoff:3.500A) Processing helix chain 'A' and resid 3985 through 4004 removed outlier: 3.619A pdb=" N GLY A3991 " --> pdb=" O ASP A3987 " (cutoff:3.500A) Processing helix chain 'A' and resid 4009 through 4032 Processing helix chain 'A' and resid 4038 through 4052 removed outlier: 6.843A pdb=" N ARG A4042 " --> pdb=" O GLY A4038 " (cutoff:3.500A) Processing helix chain 'A' and resid 4053 through 4072 removed outlier: 4.001A pdb=" N PHE A4065 " --> pdb=" O PHE A4061 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ASP A4070 " --> pdb=" O LEU A4066 " (cutoff:3.500A) Processing helix chain 'A' and resid 4074 through 4082 removed outlier: 4.932A pdb=" N THR A4082 " --> pdb=" O GLN A4078 " (cutoff:3.500A) Processing helix chain 'A' and resid 4089 through 4101 removed outlier: 5.144A pdb=" N LYS A4101 " --> pdb=" O MET A4097 " (cutoff:3.500A) Processing helix chain 'A' and resid 4104 through 4116 removed outlier: 5.086A pdb=" N GLU A4116 " --> pdb=" O LEU A4112 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4138 removed outlier: 5.694A pdb=" N PHE A4132 " --> pdb=" O PHE A4128 " (cutoff:3.500A) removed outlier: 5.046A pdb=" N GLN A4133 " --> pdb=" O ALA A4129 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N GLU A4134 " --> pdb=" O ASN A4130 " (cutoff:3.500A) Proline residue: A4135 - end of helix removed outlier: 5.060A pdb=" N ASP A4138 " --> pdb=" O GLU A4134 " (cutoff:3.500A) Processing helix chain 'A' and resid 4139 through 4155 Proline residue: A4155 - end of helix Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 4.068A pdb=" N PHE A4163 " --> pdb=" O ARG A4159 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4179 removed outlier: 4.186A pdb=" N ARG A4175 " --> pdb=" O LEU A4171 " (cutoff:3.500A) Proline residue: A4176 - end of helix removed outlier: 5.557A pdb=" N GLY A4179 " --> pdb=" O ARG A4175 " (cutoff:3.500A) Processing helix chain 'A' and resid 4198 through 4208 Proline residue: A4208 - end of helix Processing helix chain 'A' and resid 4209 through 4224 removed outlier: 3.536A pdb=" N GLU A4224 " --> pdb=" O ASP A4220 " (cutoff:3.500A) Processing helix chain 'A' and resid 4226 through 4252 removed outlier: 4.694A pdb=" N MET A4231 " --> pdb=" O GLU A4227 " (cutoff:3.500A) removed outlier: 4.823A pdb=" N GLU A4232 " --> pdb=" O ALA A4228 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHE A4243 " --> pdb=" O GLU A4239 " (cutoff:3.500A) Processing helix chain 'A' and resid 4540 through 4559 removed outlier: 4.490A pdb=" N ARG A4557 " --> pdb=" O ASN A4553 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASN A4558 " --> pdb=" O TYR A4554 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N PHE A4559 " --> pdb=" O LEU A4555 " (cutoff:3.500A) Processing helix chain 'A' and resid 4560 through 4579 removed outlier: 4.590A pdb=" N PHE A4579 " --> pdb=" O PHE A4575 " (cutoff:3.500A) Processing helix chain 'A' and resid 4642 through 4683 removed outlier: 4.287A pdb=" N LEU A4648 " --> pdb=" O TRP A4644 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU A4649 " --> pdb=" O CYS A4645 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N LEU A4652 " --> pdb=" O LEU A4648 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N VAL A4666 " --> pdb=" O ASN A4662 " (cutoff:3.500A) Proline residue: A4667 - end of helix Processing helix chain 'A' and resid 4696 through 4709 removed outlier: 5.341A pdb=" N GLN A4700 " --> pdb=" O ASP A4696 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N TRP A4701 " --> pdb=" O VAL A4697 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ARG A4703 " --> pdb=" O GLY A4699 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N LEU A4704 " --> pdb=" O GLN A4700 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N VAL A4705 " --> pdb=" O TRP A4701 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N LEU A4706 " --> pdb=" O ASP A4702 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN A4707 " --> pdb=" O ARG A4703 " (cutoff:3.500A) removed outlier: 4.218A pdb=" N THR A4708 " --> pdb=" O LEU A4704 " (cutoff:3.500A) Proline residue: A4709 - end of helix Processing helix chain 'A' and resid 4719 through 4729 removed outlier: 3.741A pdb=" N LEU A4725 " --> pdb=" O LYS A4721 " (cutoff:3.500A) Processing helix chain 'A' and resid 4733 through 4742 removed outlier: 3.561A pdb=" N GLY A4742 " --> pdb=" O ALA A4738 " (cutoff:3.500A) Processing helix chain 'A' and resid 4748 through 4756 removed outlier: 3.934A pdb=" N ALA A4752 " --> pdb=" O LEU A4748 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N GLU A4755 " --> pdb=" O THR A4751 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N ARG A4756 " --> pdb=" O ALA A4752 " (cutoff:3.500A) Processing helix chain 'A' and resid 4766 through 4771 Processing helix chain 'A' and resid 4772 through 4786 removed outlier: 4.297A pdb=" N GLN A4776 " --> pdb=" O ASP A4772 " (cutoff:3.500A) Processing helix chain 'A' and resid 4787 through 4805 removed outlier: 4.052A pdb=" N TYR A4804 " --> pdb=" O LEU A4800 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ASN A4805 " --> pdb=" O LEU A4801 " (cutoff:3.500A) Processing helix chain 'A' and resid 4808 through 4820 removed outlier: 4.395A pdb=" N HIS A4812 " --> pdb=" O PHE A4808 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N ASP A4815 " --> pdb=" O ALA A4811 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N GLY A4819 " --> pdb=" O ASP A4815 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N VAL A4820 " --> pdb=" O ILE A4816 " (cutoff:3.500A) Processing helix chain 'A' and resid 4821 through 4833 removed outlier: 4.158A pdb=" N THR A4825 " --> pdb=" O LYS A4821 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ILE A4826 " --> pdb=" O THR A4822 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL A4830 " --> pdb=" O ILE A4826 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN A4833 " --> pdb=" O SER A4829 " (cutoff:3.500A) Processing helix chain 'A' and resid 4834 through 4858 removed outlier: 3.930A pdb=" N VAL A4838 " --> pdb=" O GLY A4834 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL A4854 " --> pdb=" O LEU A4850 " (cutoff:3.500A) Processing helix chain 'A' and resid 4859 through 4864 removed outlier: 3.749A pdb=" N ASN A4864 " --> pdb=" O ARG A4860 " (cutoff:3.500A) Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 3.749A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4896 through 4902 removed outlier: 4.789A pdb=" N GLU A4900 " --> pdb=" O GLY A4896 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N GLU A4902 " --> pdb=" O GLY A4898 " (cutoff:3.500A) Processing helix chain 'A' and resid 4909 through 4924 Processing helix chain 'A' and resid 4928 through 4957 Processing helix chain 'A' and resid 4964 through 4970 removed outlier: 4.272A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N THR A4970 " --> pdb=" O ASP A4966 " (cutoff:3.500A) Processing helix chain 'A' and resid 4973 through 4982 Processing helix chain 'A' and resid 4984 through 4998 removed outlier: 3.798A pdb=" N TYR A4988 " --> pdb=" O ASN A4984 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N MET A4989 " --> pdb=" O LEU A4985 " (cutoff:3.500A) Processing helix chain 'A' and resid 5004 through 5017 Processing helix chain 'A' and resid 5027 through 5033 removed outlier: 6.208A pdb=" N GLN A5031 " --> pdb=" O CYS A5027 " (cutoff:3.500A) Processing helix chain 'B' and resid 61 through 66 removed outlier: 4.489A pdb=" N CYS B 65 " --> pdb=" O ASP B 61 " (cutoff:3.500A) Processing helix chain 'B' and resid 74 through 84 Processing helix chain 'B' and resid 249 through 256 removed outlier: 4.816A pdb=" N CYS B 253 " --> pdb=" O GLY B 249 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N THR B 254 " --> pdb=" O GLY B 250 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N HIS B 255 " --> pdb=" O ALA B 251 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N ALA B 256 " --> pdb=" O VAL B 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 249 through 256' Processing helix chain 'B' and resid 364 through 371 removed outlier: 5.502A pdb=" N VAL B 371 " --> pdb=" O LEU B 367 " (cutoff:3.500A) Processing helix chain 'B' and resid 396 through 423 removed outlier: 3.691A pdb=" N SER B 420 " --> pdb=" O LYS B 416 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N PHE B 421 " --> pdb=" O GLY B 417 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N SER B 422 " --> pdb=" O LEU B 418 " (cutoff:3.500A) removed outlier: 5.506A pdb=" N GLY B 423 " --> pdb=" O ASP B 419 " (cutoff:3.500A) Processing helix chain 'B' and resid 437 through 453 removed outlier: 4.148A pdb=" N VAL B 441 " --> pdb=" O PRO B 437 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ILE B 442 " --> pdb=" O ILE B 438 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU B 443 " --> pdb=" O GLU B 439 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 482 removed outlier: 3.652A pdb=" N GLN B 479 " --> pdb=" O GLN B 475 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N GLU B 480 " --> pdb=" O SER B 476 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N GLU B 481 " --> pdb=" O LEU B 477 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY B 482 " --> pdb=" O PHE B 478 " (cutoff:3.500A) Processing helix chain 'B' and resid 483 through 496 removed outlier: 4.641A pdb=" N VAL B 487 " --> pdb=" O MET B 483 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N VAL B 496 " --> pdb=" O ASP B 492 " (cutoff:3.500A) Processing helix chain 'B' and resid 512 through 531 removed outlier: 4.267A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N TYR B 523 " --> pdb=" O VAL B 519 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N GLU B 524 " --> pdb=" O ASN B 520 " (cutoff:3.500A) Processing helix chain 'B' and resid 533 through 541 removed outlier: 3.752A pdb=" N CYS B 537 " --> pdb=" O ASN B 533 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA B 538 " --> pdb=" O ARG B 534 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N LEU B 539 " --> pdb=" O ALA B 535 " (cutoff:3.500A) removed outlier: 4.702A pdb=" N PHE B 540 " --> pdb=" O ASN B 536 " (cutoff:3.500A) removed outlier: 5.431A 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: 3.693A pdb=" N LYS B 550 " --> pdb=" O TRP B 546 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N LEU B 551 " --> pdb=" O VAL B 547 " (cutoff:3.500A) Processing helix chain 'B' and resid 556 through 571 removed outlier: 3.804A pdb=" N VAL B 567 " --> pdb=" O VAL B 563 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N LEU B 568 " --> pdb=" O LEU B 564 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ILE B 569 " --> pdb=" O TYR B 565 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N GLU B 570 " --> pdb=" O CYS B 566 " (cutoff:3.500A) Processing helix chain 'B' and resid 572 through 578 removed outlier: 4.412A pdb=" N ASN B 576 " --> pdb=" O PRO B 572 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ILE B 577 " --> pdb=" O GLU B 573 " (cutoff:3.500A) removed outlier: 3.627A 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: 3.563A pdb=" N LEU B 590 " --> pdb=" O ILE B 586 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASP B 591 " --> pdb=" O ILE B 587 " (cutoff:3.500A) Processing helix chain 'B' and resid 596 through 609 removed outlier: 3.863A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N CYS B 609 " --> pdb=" O SER B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 626 removed outlier: 4.306A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 5.488A pdb=" N LEU B 626 " --> pdb=" O THR B 622 " (cutoff:3.500A) Processing helix chain 'B' and resid 868 through 890 removed outlier: 3.852A pdb=" N GLU B 872 " --> pdb=" O GLU B 868 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N LYS B 873 " --> pdb=" O ARG B 869 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N TRP B 882 " --> pdb=" O ILE B 878 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ALA B 883 " --> pdb=" O HIS B 879 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLU B 888 " --> pdb=" O LEU B 884 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N GLN B 889 " --> pdb=" O THR B 885 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 935 removed outlier: 5.399A pdb=" N LEU B 935 " --> pdb=" O THR B 931 " (cutoff:3.500A) Processing helix chain 'B' and resid 943 through 948 removed outlier: 6.694A pdb=" N GLU B 947 " --> pdb=" O ASP B 943 " (cutoff:3.500A) removed outlier: 4.268A 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 1001 removed outlier: 4.453A pdb=" N THR B 982 " --> pdb=" O THR B 978 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N ASP B 999 " --> pdb=" O VAL B 995 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ARG B1000 " --> pdb=" O TRP B 996 " (cutoff:3.500A) Processing helix chain 'B' and resid 1030 through 1045 removed outlier: 3.535A pdb=" N ASP B1037 " --> pdb=" O ARG B1033 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N SER B1038 " --> pdb=" O SER B1034 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LEU B1039 " --> pdb=" O ASN B1035 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N THR B1045 " --> pdb=" O GLN B1041 " (cutoff:3.500A) Processing helix chain 'B' and resid 1207 through 1212 removed outlier: 3.858A pdb=" N LEU B1211 " --> pdb=" O ASP B1207 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N ARG B1212 " --> pdb=" O VAL B1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1207 through 1212' Processing helix chain 'B' and resid 1574 through 1581 removed outlier: 4.283A pdb=" N ALA B1578 " --> pdb=" O PRO B1574 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N MET B1579 " --> pdb=" O LEU B1575 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) removed outlier: 3.887A 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 1657 removed outlier: 4.000A pdb=" N LEU B1653 " --> pdb=" O ASP B1649 " (cutoff:3.500A) removed outlier: 4.770A pdb=" N SER B1654 " --> pdb=" O ILE B1650 " (cutoff:3.500A) removed outlier: 5.618A pdb=" N GLU B1655 " --> pdb=" O LEU B1651 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N ARG B1656 " --> pdb=" O GLU B1652 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEU B1657 " --> pdb=" O LEU B1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1649 through 1657' Processing helix chain 'B' and resid 1658 through 1675 Processing helix chain 'B' and resid 1678 through 1690 removed outlier: 4.417A pdb=" N ALA B1682 " --> pdb=" O ASN B1678 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N HIS B1683 " --> pdb=" O ASN B1679 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASP B1690 " --> pdb=" O CYS B1686 " (cutoff:3.500A) Processing helix chain 'B' and resid 1691 through 1700 removed outlier: 3.804A pdb=" N LEU B1698 " --> pdb=" O LEU B1694 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) Processing helix chain 'B' and resid 1704 through 1719 removed outlier: 6.825A pdb=" N ARG B1708 " --> pdb=" O PRO B1704 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALA B1709 " --> pdb=" O GLY B1705 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N HIS B1719 " --> pdb=" O LEU B1715 " (cutoff:3.500A) Processing helix chain 'B' and resid 1720 through 1732 removed outlier: 4.422A pdb=" N SER B1732 " --> pdb=" O ARG B1728 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1746 removed outlier: 4.069A pdb=" N ILE B1745 " --> pdb=" O GLU B1741 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N THR B1746 " --> pdb=" O THR B1742 " (cutoff:3.500A) Processing helix chain 'B' and resid 1754 through 1759 removed outlier: 4.271A pdb=" N ARG B1759 " --> pdb=" O GLY B1755 " (cutoff:3.500A) Processing helix chain 'B' and resid 1803 through 1825 removed outlier: 3.747A pdb=" N VAL B1819 " --> pdb=" O LEU B1815 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARG B1820 " --> pdb=" O GLY B1816 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N GLN B1824 " --> pdb=" O ARG B1820 " (cutoff:3.500A) removed outlier: 4.555A 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: 3.847A pdb=" N MET B1851 " --> pdb=" O THR B1847 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLY B1852 " --> pdb=" O LEU B1848 " (cutoff:3.500A) Processing helix chain 'B' and resid 1855 through 1865 removed outlier: 4.221A pdb=" N MET B1865 " --> pdb=" O GLN B1861 " (cutoff:3.500A) Processing helix chain 'B' and resid 1866 through 1871 Processing helix chain 'B' and resid 1934 through 1984 removed outlier: 4.147A pdb=" N GLN B1938 " --> pdb=" O SER B1934 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N PHE B1946 " --> pdb=" O LEU B1942 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLU B1950 " --> pdb=" O PHE B1946 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N LEU B1951 " --> pdb=" O CYS B1947 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N GLU B1963 " --> pdb=" O ALA B1959 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 5.249A pdb=" N PHE B1984 " --> pdb=" O LEU B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1987 through 1999 removed outlier: 4.207A pdb=" N ARG B1996 " --> pdb=" O ALA B1992 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N GLU B1997 " --> pdb=" O ARG B1993 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE B1998 " --> pdb=" O ARG B1994 " (cutoff:3.500A) Processing helix chain 'B' and resid 2001 through 2015 removed outlier: 3.623A pdb=" N LEU B2009 " --> pdb=" O GLN B2005 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LEU B2010 " --> pdb=" O ILE B2006 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N GLU B2015 " --> pdb=" O HIS B2011 " (cutoff:3.500A) Processing helix chain 'B' and resid 2027 through 2043 removed outlier: 4.718A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N GLY B2043 " --> pdb=" O LEU B2039 " (cutoff:3.500A) Processing helix chain 'B' and resid 2093 through 2109 removed outlier: 4.229A pdb=" N ASP B2109 " --> pdb=" O TRP B2105 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2130 removed outlier: 3.594A pdb=" N VAL B2117 " --> pdb=" O SER B2113 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N GLY B2130 " --> pdb=" O ARG B2126 " (cutoff:3.500A) Processing helix chain 'B' and resid 2131 through 2139 Proline residue: B2139 - end of helix Processing helix chain 'B' and resid 2148 through 2169 removed outlier: 4.044A pdb=" N SER B2154 " --> pdb=" O GLU B2150 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LEU B2155 " --> pdb=" O ASP B2151 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE B2167 " --> pdb=" O ARG B2163 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VAL B2168 " --> pdb=" O SER B2164 " (cutoff:3.500A) removed outlier: 5.545A pdb=" N GLN B2169 " --> pdb=" O LEU B2165 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2188 removed outlier: 3.816A pdb=" N ASN B2176 " --> pdb=" O PRO B2172 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU B2177 " --> pdb=" O GLN B2173 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N ASN B2187 " --> pdb=" O GLY B2183 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N ASN B2188 " --> pdb=" O ASN B2184 " (cutoff:3.500A) Processing helix chain 'B' and resid 2189 through 2195 removed outlier: 4.658A pdb=" N GLN B2193 " --> pdb=" O LYS B2189 " (cutoff:3.500A) removed outlier: 3.601A 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: 4.177A pdb=" N ASN B2213 " --> pdb=" O GLU B2209 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N VAL B2214 " --> pdb=" O VAL B2210 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU B2215 " --> pdb=" O MET B2211 " (cutoff:3.500A) Processing helix chain 'B' and resid 2226 through 2244 removed outlier: 6.777A pdb=" N THR B2230 " --> pdb=" O PRO B2226 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER B2231 " --> pdb=" O LYS B2227 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N SER B2243 " --> pdb=" O PHE B2239 " (cutoff:3.500A) removed outlier: 5.187A pdb=" N ARG B2244 " --> pdb=" O CYS B2240 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2255 removed outlier: 3.907A pdb=" N SER B2249 " --> pdb=" O GLN B2245 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N HIS B2253 " --> pdb=" O SER B2249 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N LEU B2254 " --> pdb=" O MET B2250 " (cutoff:3.500A) removed outlier: 5.067A pdb=" N SER B2255 " --> pdb=" O PHE B2251 " (cutoff:3.500A) Processing helix chain 'B' and resid 2256 through 2265 removed outlier: 3.569A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) removed outlier: 4.989A pdb=" N ILE B2263 " --> pdb=" O GLU B2259 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLY B2264 " --> pdb=" O ASN B2260 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEU B2265 " --> pdb=" O SER B2261 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2282 removed outlier: 3.554A pdb=" N VAL B2275 " --> pdb=" O THR B2271 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALA B2276 " --> pdb=" O PRO B2272 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N VAL B2280 " --> pdb=" O ALA B2276 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ILE B2281 " --> pdb=" O ALA B2277 " (cutoff:3.500A) removed outlier: 5.156A pdb=" N ASP B2282 " --> pdb=" O ALA B2278 " (cutoff:3.500A) Processing helix chain 'B' and resid 2286 through 2291 removed outlier: 3.746A pdb=" N LEU B2290 " --> pdb=" O LEU B2286 " (cutoff:3.500A) removed outlier: 4.592A 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 2308 removed outlier: 3.642A pdb=" N SER B2300 " --> pdb=" O GLU B2296 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2315 removed outlier: 3.605A pdb=" N LEU B2314 " --> pdb=" O CYS B2310 " (cutoff:3.500A) Processing helix chain 'B' and resid 2324 through 2341 removed outlier: 4.111A pdb=" N GLY B2328 " --> pdb=" O ASN B2324 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N LEU B2332 " --> pdb=" O GLY B2328 " (cutoff:3.500A) removed outlier: 5.486A pdb=" N ASP B2333 " --> pdb=" O GLU B2329 " (cutoff:3.500A) removed outlier: 5.782A pdb=" N PHE B2334 " --> pdb=" O ARG B2330 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LEU B2335 " --> pdb=" O TYR B2331 " (cutoff:3.500A) removed outlier: 4.556A pdb=" N VAL B2341 " --> pdb=" O PHE B2337 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2361 removed outlier: 4.298A pdb=" N VAL B2352 " --> pdb=" O GLU B2348 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ARG B2359 " --> pdb=" O ARG B2355 " (cutoff:3.500A) removed outlier: 4.580A 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 Processing helix chain 'B' and resid 2448 through 2462 removed outlier: 4.652A pdb=" N ARG B2452 " --> pdb=" O GLY B2448 " (cutoff:3.500A) removed outlier: 3.742A 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 2473 removed outlier: 3.999A pdb=" N GLY B2468 " --> pdb=" O ASP B2464 " (cutoff:3.500A) Proline residue: B2473 - end of helix Processing helix chain 'B' and resid 2751 through 2774 removed outlier: 4.814A pdb=" N ILE B2755 " --> pdb=" O LEU B2751 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA B2759 " --> pdb=" O ILE B2755 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N THR B2762 " --> pdb=" O PHE B2758 " (cutoff:3.500A) removed outlier: 5.072A pdb=" N HIS B2763 " --> pdb=" O ALA B2759 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N GLU B2764 " --> pdb=" O GLU B2760 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N LYS B2765 " --> pdb=" O TYR B2761 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N TRP B2766 " --> pdb=" O THR B2762 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA B2767 " --> pdb=" O HIS B2763 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N ASP B2769 " --> pdb=" O LYS B2765 " (cutoff:3.500A) removed outlier: 5.704A pdb=" N LYS B2770 " --> pdb=" O TRP B2766 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE B2771 " --> pdb=" O ALA B2767 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLN B2772 " --> pdb=" O PHE B2768 " (cutoff:3.500A) Processing helix chain 'B' and resid 2798 through 2804 removed outlier: 4.323A pdb=" N LYS B2802 " --> pdb=" O SER B2798 " (cutoff:3.500A) Processing helix chain 'B' and resid 2868 through 2879 removed outlier: 5.258A pdb=" N GLN B2872 " --> pdb=" O SER B2868 " (cutoff:3.500A) removed outlier: 4.753A pdb=" N ALA B2873 " --> pdb=" O ARG B2869 " (cutoff:3.500A) removed outlier: 8.198A pdb=" N MET B2874 " --> pdb=" O GLU B2870 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N ALA B2875 " --> pdb=" O LEU B2871 " (cutoff:3.500A) removed outlier: 6.073A pdb=" N GLU B2876 " --> pdb=" O GLN B2872 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N GLN B2877 " --> pdb=" O ALA B2873 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N ALA B2879 " --> pdb=" O ALA B2875 " (cutoff:3.500A) Processing helix chain 'B' and resid 2880 through 2892 removed outlier: 4.374A pdb=" N LYS B2891 " --> pdb=" O GLY B2887 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N GLN B2892 " --> pdb=" O ARG B2888 " (cutoff:3.500A) Processing helix chain 'B' and resid 2920 through 2930 removed outlier: 4.833A pdb=" N GLU B2925 " --> pdb=" O GLU B2921 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N LYS B2928 " --> pdb=" O GLN B2924 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3656 removed outlier: 3.635A pdb=" N LEU B3654 " --> pdb=" O CYS B3650 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N GLU B3655 " --> pdb=" O ASN B3651 " (cutoff:3.500A) removed outlier: 4.800A pdb=" N SER B3656 " --> pdb=" O MET B3652 " (cutoff:3.500A) Processing helix chain 'B' and resid 3668 through 3679 removed outlier: 3.663A pdb=" N LYS B3679 " --> pdb=" O ASP B3675 " (cutoff:3.500A) Processing helix chain 'B' and resid 3696 through 3711 Processing helix chain 'B' and resid 3719 through 3735 removed outlier: 3.506A pdb=" N SER B3732 " --> pdb=" O ILE B3728 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N CYS B3733 " --> pdb=" O MET B3729 " (cutoff:3.500A) Processing helix chain 'B' and resid 3752 through 3771 removed outlier: 4.383A pdb=" N ARG B3762 " --> pdb=" O MET B3758 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N LEU B3763 " --> pdb=" O GLU B3759 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LEU B3764 " --> pdb=" O LYS B3760 " (cutoff:3.500A) removed outlier: 6.980A pdb=" N TYR B3765 " --> pdb=" O GLN B3761 " (cutoff:3.500A) removed outlier: 6.537A pdb=" N GLN B3766 " --> pdb=" O ARG B3762 " (cutoff:3.500A) removed outlier: 6.026A pdb=" N GLN B3767 " --> pdb=" O LEU B3763 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N SER B3768 " --> pdb=" O LEU B3764 " (cutoff:3.500A) Processing helix chain 'B' and resid 3774 through 3787 removed outlier: 3.513A pdb=" N MET B3778 " --> pdb=" O GLY B3774 " (cutoff:3.500A) removed outlier: 5.102A pdb=" N LYS B3787 " --> pdb=" O ILE B3783 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3806 Processing helix chain 'B' and resid 3809 through 3824 Processing helix chain 'B' and resid 3826 through 3839 removed outlier: 6.618A pdb=" N GLN B3830 " --> pdb=" O VAL B3826 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N CYS B3839 " --> pdb=" O LEU B3835 " (cutoff:3.500A) Processing helix chain 'B' and resid 3844 through 3858 removed outlier: 7.387A pdb=" N GLU B3848 " --> pdb=" O LEU B3844 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N ARG B3849 " --> pdb=" O ASN B3845 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLY B3855 " --> pdb=" O ASN B3851 " (cutoff:3.500A) Processing helix chain 'B' and resid 3877 through 3893 Processing helix chain 'B' and resid 3896 through 3905 removed outlier: 6.595A pdb=" N GLN B3900 " --> pdb=" O ASN B3896 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ASN B3901 " --> pdb=" O ASN B3897 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ARG B3904 " --> pdb=" O GLN B3900 " (cutoff:3.500A) Processing helix chain 'B' and resid 3914 through 3938 Processing helix chain 'B' and resid 3944 through 3970 Processing helix chain 'B' and resid 3973 through 3984 removed outlier: 5.112A pdb=" N ARG B3984 " --> pdb=" O LEU B3980 " (cutoff:3.500A) Processing helix chain 'B' and resid 3985 through 4004 removed outlier: 3.619A pdb=" N GLY B3991 " --> pdb=" O ASP B3987 " (cutoff:3.500A) Processing helix chain 'B' and resid 4009 through 4032 Processing helix chain 'B' and resid 4038 through 4052 removed outlier: 6.841A pdb=" N ARG B4042 " --> pdb=" O GLY B4038 " (cutoff:3.500A) Processing helix chain 'B' and resid 4053 through 4072 removed outlier: 4.001A pdb=" N PHE B4065 " --> pdb=" O PHE B4061 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ASP B4070 " --> pdb=" O LEU B4066 " (cutoff:3.500A) Processing helix chain 'B' and resid 4074 through 4082 removed outlier: 4.932A pdb=" N THR B4082 " --> pdb=" O GLN B4078 " (cutoff:3.500A) Processing helix chain 'B' and resid 4089 through 4101 removed outlier: 5.145A pdb=" N LYS B4101 " --> pdb=" O MET B4097 " (cutoff:3.500A) Processing helix chain 'B' and resid 4104 through 4116 removed outlier: 5.085A pdb=" N GLU B4116 " --> pdb=" O LEU B4112 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4138 removed outlier: 5.694A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) removed outlier: 5.046A pdb=" N GLN B4133 " --> pdb=" O ALA B4129 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N GLU B4134 " --> pdb=" O ASN B4130 " (cutoff:3.500A) Proline residue: B4135 - end of helix removed outlier: 5.060A pdb=" N ASP B4138 " --> pdb=" O GLU B4134 " (cutoff:3.500A) Processing helix chain 'B' and resid 4139 through 4155 Proline residue: B4155 - end of helix Processing helix chain 'B' and resid 4157 through 4168 removed outlier: 4.067A pdb=" N PHE B4163 " --> pdb=" O ARG B4159 " (cutoff:3.500A) Processing helix chain 'B' and resid 4169 through 4179 removed outlier: 4.185A pdb=" N ARG B4175 " --> pdb=" O LEU B4171 " (cutoff:3.500A) Proline residue: B4176 - end of helix removed outlier: 5.557A pdb=" N GLY B4179 " --> pdb=" O ARG B4175 " (cutoff:3.500A) Processing helix chain 'B' and resid 4198 through 4208 Proline residue: B4208 - end of helix Processing helix chain 'B' and resid 4209 through 4224 removed outlier: 3.535A pdb=" N GLU B4224 " --> pdb=" O ASP B4220 " (cutoff:3.500A) Processing helix chain 'B' and resid 4226 through 4252 removed outlier: 4.693A pdb=" N MET B4231 " --> pdb=" O GLU B4227 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N GLU B4232 " --> pdb=" O ALA B4228 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHE B4243 " --> pdb=" O GLU B4239 " (cutoff:3.500A) Processing helix chain 'B' and resid 4540 through 4559 removed outlier: 4.489A pdb=" N ARG B4557 " --> pdb=" O ASN B4553 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASN B4558 " --> pdb=" O TYR B4554 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N PHE B4559 " --> pdb=" O LEU B4555 " (cutoff:3.500A) Processing helix chain 'B' and resid 4560 through 4579 removed outlier: 4.591A pdb=" N PHE B4579 " --> pdb=" O PHE B4575 " (cutoff:3.500A) Processing helix chain 'B' and resid 4642 through 4683 removed outlier: 4.288A pdb=" N LEU B4648 " --> pdb=" O TRP B4644 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU B4649 " --> pdb=" O CYS B4645 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N LEU B4652 " --> pdb=" O LEU B4648 " (cutoff:3.500A) removed outlier: 5.344A pdb=" N VAL B4666 " --> pdb=" O ASN B4662 " (cutoff:3.500A) Proline residue: B4667 - end of helix Processing helix chain 'B' and resid 4696 through 4709 removed outlier: 5.341A pdb=" N GLN B4700 " --> pdb=" O ASP B4696 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N TRP B4701 " --> pdb=" O VAL B4697 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ARG B4703 " --> pdb=" O GLY B4699 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N LEU B4704 " --> pdb=" O GLN B4700 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N VAL B4705 " --> pdb=" O TRP B4701 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N LEU B4706 " --> pdb=" O ASP B4702 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N ASN B4707 " --> pdb=" O ARG B4703 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N THR B4708 " --> pdb=" O LEU B4704 " (cutoff:3.500A) Proline residue: B4709 - end of helix Processing helix chain 'B' and resid 4719 through 4729 removed outlier: 3.740A pdb=" N LEU B4725 " --> pdb=" O LYS B4721 " (cutoff:3.500A) Processing helix chain 'B' and resid 4733 through 4742 removed outlier: 3.562A pdb=" N GLY B4742 " --> pdb=" O ALA B4738 " (cutoff:3.500A) Processing helix chain 'B' and resid 4748 through 4756 removed outlier: 3.934A pdb=" N ALA B4752 " --> pdb=" O LEU B4748 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N GLU B4755 " --> pdb=" O THR B4751 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N ARG B4756 " --> pdb=" O ALA B4752 " (cutoff:3.500A) Processing helix chain 'B' and resid 4766 through 4771 Processing helix chain 'B' and resid 4772 through 4786 removed outlier: 4.297A pdb=" N GLN B4776 " --> pdb=" O ASP B4772 " (cutoff:3.500A) Processing helix chain 'B' and resid 4787 through 4805 removed outlier: 4.053A pdb=" N TYR B4804 " --> pdb=" O LEU B4800 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ASN B4805 " --> pdb=" O LEU B4801 " (cutoff:3.500A) Processing helix chain 'B' and resid 4808 through 4820 removed outlier: 4.394A pdb=" N HIS B4812 " --> pdb=" O PHE B4808 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N LEU B4813 " --> pdb=" O PHE B4809 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N LEU B4814 " --> pdb=" O ALA B4810 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ASP B4815 " --> pdb=" O ALA B4811 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N GLY B4819 " --> pdb=" O ASP B4815 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N VAL B4820 " --> pdb=" O ILE B4816 " (cutoff:3.500A) Processing helix chain 'B' and resid 4821 through 4833 removed outlier: 4.159A pdb=" N THR B4825 " --> pdb=" O LYS B4821 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ILE B4826 " --> pdb=" O THR B4822 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL B4830 " --> pdb=" O ILE B4826 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN B4833 " --> pdb=" O SER B4829 " (cutoff:3.500A) Processing helix chain 'B' and resid 4834 through 4858 removed outlier: 3.932A pdb=" N VAL B4838 " --> pdb=" O GLY B4834 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL B4854 " --> pdb=" O LEU B4850 " (cutoff:3.500A) Processing helix chain 'B' and resid 4859 through 4864 removed outlier: 3.748A pdb=" N ASN B4864 " --> pdb=" O ARG B4860 " (cutoff:3.500A) Processing helix chain 'B' and resid 4878 through 4893 removed outlier: 3.749A pdb=" N ARG B4892 " --> pdb=" O TYR B4888 " (cutoff:3.500A) Processing helix chain 'B' and resid 4896 through 4902 removed outlier: 4.789A pdb=" N GLU B4900 " --> pdb=" O GLY B4896 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N GLU B4902 " --> pdb=" O GLY B4898 " (cutoff:3.500A) Processing helix chain 'B' and resid 4909 through 4924 Processing helix chain 'B' and resid 4928 through 4957 Processing helix chain 'B' and resid 4964 through 4970 removed outlier: 4.272A pdb=" N PHE B4968 " --> pdb=" O GLY B4964 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N THR B4970 " --> pdb=" O ASP B4966 " (cutoff:3.500A) Processing helix chain 'B' and resid 4973 through 4982 Processing helix chain 'B' and resid 4984 through 4998 removed outlier: 3.798A pdb=" N TYR B4988 " --> pdb=" O ASN B4984 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N MET B4989 " --> pdb=" O LEU B4985 " (cutoff:3.500A) Processing helix chain 'B' and resid 5004 through 5017 Processing helix chain 'B' and resid 5027 through 5033 removed outlier: 6.208A pdb=" N GLN B5031 " --> pdb=" O CYS B5027 " (cutoff:3.500A) Processing helix chain 'C' and resid 61 through 66 removed outlier: 4.489A pdb=" N CYS C 65 " --> pdb=" O ASP C 61 " (cutoff:3.500A) Processing helix chain 'C' and resid 74 through 84 Processing helix chain 'C' and resid 249 through 256 removed outlier: 4.816A pdb=" N CYS C 253 " --> pdb=" O GLY C 249 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N THR C 254 " --> pdb=" O GLY C 250 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N HIS C 255 " --> pdb=" O ALA C 251 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N ALA C 256 " --> pdb=" O VAL C 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 249 through 256' Processing helix chain 'C' and resid 364 through 371 removed outlier: 5.502A pdb=" N VAL C 371 " --> pdb=" O LEU C 367 " (cutoff:3.500A) Processing helix chain 'C' and resid 396 through 423 removed outlier: 3.691A pdb=" N SER C 420 " --> pdb=" O LYS C 416 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N PHE C 421 " --> pdb=" O GLY C 417 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N SER C 422 " --> pdb=" O LEU C 418 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N GLY C 423 " --> pdb=" O ASP C 419 " (cutoff:3.500A) Processing helix chain 'C' and resid 437 through 453 removed outlier: 4.147A pdb=" N VAL C 441 " --> pdb=" O PRO C 437 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILE C 442 " --> pdb=" O ILE C 438 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU C 443 " --> pdb=" O GLU C 439 " (cutoff:3.500A) Processing helix chain 'C' and resid 460 through 482 removed outlier: 3.653A pdb=" N GLN C 479 " --> pdb=" O GLN C 475 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N GLU C 480 " --> pdb=" O SER C 476 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N GLU C 481 " --> pdb=" O LEU C 477 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N GLY C 482 " --> pdb=" O PHE C 478 " (cutoff:3.500A) Processing helix chain 'C' and resid 483 through 496 removed outlier: 4.641A pdb=" N VAL C 487 " --> pdb=" O MET C 483 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N VAL C 496 " --> pdb=" O ASP C 492 " (cutoff:3.500A) Processing helix chain 'C' and resid 512 through 531 removed outlier: 4.266A pdb=" N LYS C 516 " --> pdb=" O ALA C 512 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU C 517 " --> pdb=" O GLU C 513 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N TYR C 523 " --> pdb=" O VAL C 519 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N GLU C 524 " --> pdb=" O ASN C 520 " (cutoff:3.500A) Processing helix chain 'C' and resid 533 through 541 removed outlier: 3.751A pdb=" N CYS C 537 " --> pdb=" O ASN C 533 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA C 538 " --> pdb=" O ARG C 534 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N LEU C 539 " --> pdb=" O ALA C 535 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N PHE C 540 " --> pdb=" O ASN C 536 " (cutoff:3.500A) removed outlier: 5.431A 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: 3.694A pdb=" N LYS C 550 " --> pdb=" O TRP C 546 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N LEU C 551 " --> pdb=" O VAL C 547 " (cutoff:3.500A) Processing helix chain 'C' and resid 556 through 571 removed outlier: 3.804A pdb=" N VAL C 567 " --> pdb=" O VAL C 563 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N LEU C 568 " --> pdb=" O LEU C 564 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ILE C 569 " --> pdb=" O TYR C 565 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N GLU C 570 " --> pdb=" O CYS C 566 " (cutoff:3.500A) Processing helix chain 'C' and resid 572 through 578 removed outlier: 4.413A pdb=" N ASN C 576 " --> pdb=" O PRO C 572 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N ILE C 577 " --> pdb=" O GLU C 573 " (cutoff:3.500A) removed outlier: 3.627A 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: 3.563A pdb=" N LEU C 590 " --> pdb=" O ILE C 586 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASP C 591 " --> pdb=" O ILE C 587 " (cutoff:3.500A) Processing helix chain 'C' and resid 596 through 609 removed outlier: 3.864A pdb=" N LEU C 600 " --> pdb=" O ASN C 596 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N CYS C 607 " --> pdb=" O LEU C 603 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N VAL C 608 " --> pdb=" O CYS C 604 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N CYS C 609 " --> pdb=" O SER C 605 " (cutoff:3.500A) Processing helix chain 'C' and resid 614 through 626 removed outlier: 4.306A pdb=" N GLN C 618 " --> pdb=" O VAL C 614 " (cutoff:3.500A) removed outlier: 5.488A pdb=" N LEU C 626 " --> pdb=" O THR C 622 " (cutoff:3.500A) Processing helix chain 'C' and resid 868 through 890 removed outlier: 3.852A pdb=" N GLU C 872 " --> pdb=" O GLU C 868 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N LYS C 873 " --> pdb=" O ARG C 869 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N TRP C 882 " --> pdb=" O ILE C 878 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ALA C 883 " --> pdb=" O HIS C 879 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLU C 888 " --> pdb=" O LEU C 884 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N GLN C 889 " --> pdb=" O THR C 885 " (cutoff:3.500A) Processing helix chain 'C' and resid 914 through 935 removed outlier: 5.399A pdb=" N LEU C 935 " --> pdb=" O THR C 931 " (cutoff:3.500A) Processing helix chain 'C' and resid 943 through 948 removed outlier: 6.694A pdb=" N GLU C 947 " --> pdb=" O ASP C 943 " (cutoff:3.500A) removed outlier: 4.268A 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 1001 removed outlier: 4.452A pdb=" N THR C 982 " --> pdb=" O THR C 978 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N ASP C 999 " --> pdb=" O VAL C 995 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ARG C1000 " --> pdb=" O TRP C 996 " (cutoff:3.500A) Processing helix chain 'C' and resid 1030 through 1045 removed outlier: 3.536A pdb=" N ASP C1037 " --> pdb=" O ARG C1033 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N SER C1038 " --> pdb=" O SER C1034 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LEU C1039 " --> pdb=" O ASN C1035 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N THR C1045 " --> pdb=" O GLN C1041 " (cutoff:3.500A) Processing helix chain 'C' and resid 1207 through 1212 removed outlier: 3.857A pdb=" N LEU C1211 " --> pdb=" O ASP C1207 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N ARG C1212 " --> pdb=" O VAL C1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1207 through 1212' Processing helix chain 'C' and resid 1574 through 1581 removed outlier: 4.283A pdb=" N ALA C1578 " --> pdb=" O PRO C1574 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N MET C1579 " --> pdb=" O LEU C1575 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N PHE C1580 " --> pdb=" O SER C1576 " (cutoff:3.500A) removed outlier: 3.887A 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 1657 removed outlier: 3.999A pdb=" N LEU C1653 " --> pdb=" O ASP C1649 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N SER C1654 " --> pdb=" O ILE C1650 " (cutoff:3.500A) removed outlier: 5.616A pdb=" N GLU C1655 " --> pdb=" O LEU C1651 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ARG C1656 " --> pdb=" O GLU C1652 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N LEU C1657 " --> pdb=" O LEU C1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1649 through 1657' Processing helix chain 'C' and resid 1658 through 1675 Processing helix chain 'C' and resid 1678 through 1690 removed outlier: 4.418A pdb=" N ALA C1682 " --> pdb=" O ASN C1678 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N HIS C1683 " --> pdb=" O ASN C1679 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ALA C1684 " --> pdb=" O ARG C1680 " (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: 3.804A pdb=" N LEU C1698 " --> pdb=" O LEU C1694 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N GLU C1699 " --> pdb=" O LEU C1695 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP C1700 " --> pdb=" O HIS C1696 " (cutoff:3.500A) Processing helix chain 'C' and resid 1704 through 1719 removed outlier: 6.825A pdb=" N ARG C1708 " --> pdb=" O PRO C1704 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALA C1709 " --> pdb=" O GLY C1705 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N HIS C1719 " --> pdb=" O LEU C1715 " (cutoff:3.500A) Processing helix chain 'C' and resid 1720 through 1732 removed outlier: 4.422A pdb=" N SER C1732 " --> pdb=" O ARG C1728 " (cutoff:3.500A) Processing helix chain 'C' and resid 1739 through 1746 removed outlier: 4.069A pdb=" N ILE C1745 " --> pdb=" O GLU C1741 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N THR C1746 " --> pdb=" O THR C1742 " (cutoff:3.500A) Processing helix chain 'C' and resid 1754 through 1759 removed outlier: 4.272A pdb=" N ARG C1759 " --> pdb=" O GLY C1755 " (cutoff:3.500A) Processing helix chain 'C' and resid 1803 through 1825 removed outlier: 3.747A pdb=" N VAL C1819 " --> pdb=" O LEU C1815 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARG C1820 " --> pdb=" O GLY C1816 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N GLN C1824 " --> pdb=" O ARG C1820 " (cutoff:3.500A) removed outlier: 4.556A 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: 3.847A pdb=" N MET C1851 " --> pdb=" O THR C1847 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLY C1852 " --> pdb=" O LEU C1848 " (cutoff:3.500A) Processing helix chain 'C' and resid 1855 through 1865 removed outlier: 4.222A pdb=" N MET C1865 " --> pdb=" O GLN C1861 " (cutoff:3.500A) Processing helix chain 'C' and resid 1866 through 1871 Processing helix chain 'C' and resid 1934 through 1984 removed outlier: 4.148A pdb=" N GLN C1938 " --> pdb=" O SER C1934 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR C1945 " --> pdb=" O ASN C1941 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N PHE C1946 " --> pdb=" O LEU C1942 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLU C1950 " --> pdb=" O PHE C1946 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N LEU C1951 " --> pdb=" O CYS C1947 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU C1963 " --> pdb=" O ALA C1959 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG C1964 " --> pdb=" O ALA C1960 " (cutoff:3.500A) removed outlier: 5.248A pdb=" N PHE C1984 " --> pdb=" O LEU C1980 " (cutoff:3.500A) Processing helix chain 'C' and resid 1987 through 1999 removed outlier: 4.206A pdb=" N ARG C1996 " --> pdb=" O ALA C1992 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N GLU C1997 " --> pdb=" O ARG C1993 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE C1998 " --> pdb=" O ARG C1994 " (cutoff:3.500A) Processing helix chain 'C' and resid 2001 through 2015 removed outlier: 3.624A pdb=" N LEU C2009 " --> pdb=" O GLN C2005 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LEU C2010 " --> pdb=" O ILE C2006 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLU C2015 " --> pdb=" O HIS C2011 " (cutoff:3.500A) Processing helix chain 'C' and resid 2027 through 2043 removed outlier: 4.717A pdb=" N LEU C2031 " --> pdb=" O ILE C2027 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN C2032 " --> pdb=" O ARG C2028 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N GLY C2043 " --> pdb=" O LEU C2039 " (cutoff:3.500A) Processing helix chain 'C' and resid 2093 through 2109 removed outlier: 4.228A pdb=" N ASP C2109 " --> pdb=" O TRP C2105 " (cutoff:3.500A) Processing helix chain 'C' and resid 2113 through 2130 removed outlier: 3.594A pdb=" N VAL C2117 " --> pdb=" O SER C2113 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY C2130 " --> pdb=" O ARG C2126 " (cutoff:3.500A) Processing helix chain 'C' and resid 2131 through 2139 Proline residue: C2139 - end of helix Processing helix chain 'C' and resid 2148 through 2169 removed outlier: 4.043A pdb=" N SER C2154 " --> pdb=" O GLU C2150 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU C2155 " --> pdb=" O ASP C2151 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE C2167 " --> pdb=" O ARG C2163 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N VAL C2168 " --> pdb=" O SER C2164 " (cutoff:3.500A) removed outlier: 5.544A pdb=" N GLN C2169 " --> pdb=" O LEU C2165 " (cutoff:3.500A) Processing helix chain 'C' and resid 2171 through 2188 removed outlier: 3.815A pdb=" N ASN C2176 " --> pdb=" O PRO C2172 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU C2177 " --> pdb=" O GLN C2173 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N ASN C2187 " --> pdb=" O GLY C2183 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N ASN C2188 " --> pdb=" O ASN C2184 " (cutoff:3.500A) Processing helix chain 'C' and resid 2189 through 2195 removed outlier: 4.657A pdb=" N GLN C2193 " --> pdb=" O LYS C2189 " (cutoff:3.500A) removed outlier: 3.601A 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: 4.176A pdb=" N ASN C2213 " --> pdb=" O GLU C2209 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N VAL C2214 " --> pdb=" O VAL C2210 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU C2215 " --> pdb=" O MET C2211 " (cutoff:3.500A) Processing helix chain 'C' and resid 2226 through 2244 removed outlier: 6.776A pdb=" N THR C2230 " --> pdb=" O PRO C2226 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER C2231 " --> pdb=" O LYS C2227 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N SER C2243 " --> pdb=" O PHE C2239 " (cutoff:3.500A) removed outlier: 5.186A pdb=" N ARG C2244 " --> pdb=" O CYS C2240 " (cutoff:3.500A) Processing helix chain 'C' and resid 2245 through 2255 removed outlier: 3.906A pdb=" N SER C2249 " --> pdb=" O GLN C2245 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ASP C2252 " --> pdb=" O ARG C2248 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N HIS C2253 " --> pdb=" O SER C2249 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU C2254 " --> pdb=" O MET C2250 " (cutoff:3.500A) removed outlier: 5.067A pdb=" N SER C2255 " --> pdb=" O PHE C2251 " (cutoff:3.500A) Processing helix chain 'C' and resid 2256 through 2265 removed outlier: 3.569A pdb=" N ASN C2260 " --> pdb=" O TYR C2256 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N GLY C2262 " --> pdb=" O LEU C2258 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N ILE C2263 " --> pdb=" O GLU C2259 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLY C2264 " --> pdb=" O ASN C2260 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEU C2265 " --> pdb=" O SER C2261 " (cutoff:3.500A) Processing helix chain 'C' and resid 2271 through 2282 removed outlier: 3.553A pdb=" N VAL C2275 " --> pdb=" O THR C2271 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALA C2276 " --> pdb=" O PRO C2272 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N VAL C2280 " --> pdb=" O ALA C2276 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE C2281 " --> pdb=" O ALA C2277 " (cutoff:3.500A) removed outlier: 5.155A pdb=" N ASP C2282 " --> pdb=" O ALA C2278 " (cutoff:3.500A) Processing helix chain 'C' and resid 2286 through 2291 removed outlier: 3.747A pdb=" N LEU C2290 " --> pdb=" O LEU C2286 " (cutoff:3.500A) removed outlier: 4.592A 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 2308 removed outlier: 3.642A pdb=" N SER C2300 " --> pdb=" O GLU C2296 " (cutoff:3.500A) Processing helix chain 'C' and resid 2310 through 2315 removed outlier: 3.605A pdb=" N LEU C2314 " --> pdb=" O CYS C2310 " (cutoff:3.500A) Processing helix chain 'C' and resid 2324 through 2341 removed outlier: 4.111A pdb=" N GLY C2328 " --> pdb=" O ASN C2324 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LEU C2332 " --> pdb=" O GLY C2328 " (cutoff:3.500A) removed outlier: 5.487A pdb=" N ASP C2333 " --> pdb=" O GLU C2329 " (cutoff:3.500A) removed outlier: 5.782A pdb=" N PHE C2334 " --> pdb=" O ARG C2330 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LEU C2335 " --> pdb=" O TYR C2331 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N VAL C2341 " --> pdb=" O PHE C2337 " (cutoff:3.500A) Processing helix chain 'C' and resid 2346 through 2361 removed outlier: 4.299A pdb=" N VAL C2352 " --> pdb=" O GLU C2348 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ARG C2359 " --> pdb=" O ARG C2355 " (cutoff:3.500A) removed outlier: 4.580A 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 Processing helix chain 'C' and resid 2448 through 2462 removed outlier: 4.652A pdb=" N ARG C2452 " --> pdb=" O GLY C2448 " (cutoff:3.500A) removed outlier: 3.742A 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 2473 removed outlier: 3.998A pdb=" N GLY C2468 " --> pdb=" O ASP C2464 " (cutoff:3.500A) Proline residue: C2473 - end of helix Processing helix chain 'C' and resid 2751 through 2774 removed outlier: 4.814A pdb=" N ILE C2755 " --> pdb=" O LEU C2751 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ALA C2759 " --> pdb=" O ILE C2755 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N THR C2762 " --> pdb=" O PHE C2758 " (cutoff:3.500A) removed outlier: 5.072A pdb=" N HIS C2763 " --> pdb=" O ALA C2759 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N GLU C2764 " --> pdb=" O GLU C2760 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LYS C2765 " --> pdb=" O TYR C2761 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N TRP C2766 " --> pdb=" O THR C2762 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA C2767 " --> pdb=" O HIS C2763 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHE C2768 " --> pdb=" O GLU C2764 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ASP C2769 " --> pdb=" O LYS C2765 " (cutoff:3.500A) removed outlier: 5.704A pdb=" N LYS C2770 " --> pdb=" O TRP C2766 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N ILE C2771 " --> pdb=" O ALA C2767 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLN C2772 " --> pdb=" O PHE C2768 " (cutoff:3.500A) Processing helix chain 'C' and resid 2798 through 2804 removed outlier: 4.323A pdb=" N LYS C2802 " --> pdb=" O SER C2798 " (cutoff:3.500A) Processing helix chain 'C' and resid 2868 through 2879 removed outlier: 5.259A pdb=" N GLN C2872 " --> pdb=" O SER C2868 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ALA C2873 " --> pdb=" O ARG C2869 " (cutoff:3.500A) removed outlier: 8.198A pdb=" N MET C2874 " --> pdb=" O GLU C2870 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N ALA C2875 " --> pdb=" O LEU C2871 " (cutoff:3.500A) removed outlier: 6.073A pdb=" N GLU C2876 " --> pdb=" O GLN C2872 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N GLN C2877 " --> pdb=" O ALA C2873 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N ALA C2879 " --> pdb=" O ALA C2875 " (cutoff:3.500A) Processing helix chain 'C' and resid 2880 through 2892 removed outlier: 4.374A pdb=" N LYS C2891 " --> pdb=" O GLY C2887 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N GLN C2892 " --> pdb=" O ARG C2888 " (cutoff:3.500A) Processing helix chain 'C' and resid 2920 through 2930 removed outlier: 4.833A pdb=" N GLU C2925 " --> pdb=" O GLU C2921 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N LYS C2928 " --> pdb=" O GLN C2924 " (cutoff:3.500A) Processing helix chain 'C' and resid 3645 through 3656 removed outlier: 3.635A pdb=" N LEU C3654 " --> pdb=" O CYS C3650 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N GLU C3655 " --> pdb=" O ASN C3651 " (cutoff:3.500A) removed outlier: 4.800A pdb=" N SER C3656 " --> pdb=" O MET C3652 " (cutoff:3.500A) Processing helix chain 'C' and resid 3668 through 3679 removed outlier: 3.663A pdb=" N LYS C3679 " --> pdb=" O ASP C3675 " (cutoff:3.500A) Processing helix chain 'C' and resid 3696 through 3711 Processing helix chain 'C' and resid 3719 through 3735 removed outlier: 3.506A pdb=" N SER C3732 " --> pdb=" O ILE C3728 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N CYS C3733 " --> pdb=" O MET C3729 " (cutoff:3.500A) Processing helix chain 'C' and resid 3752 through 3771 removed outlier: 4.384A pdb=" N ARG C3762 " --> pdb=" O MET C3758 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N LEU C3763 " --> pdb=" O GLU C3759 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU C3764 " --> pdb=" O LYS C3760 " (cutoff:3.500A) removed outlier: 6.980A pdb=" N TYR C3765 " --> pdb=" O GLN C3761 " (cutoff:3.500A) removed outlier: 6.537A pdb=" N GLN C3766 " --> pdb=" O ARG C3762 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N GLN C3767 " --> pdb=" O LEU C3763 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N SER C3768 " --> pdb=" O LEU C3764 " (cutoff:3.500A) Processing helix chain 'C' and resid 3774 through 3787 removed outlier: 3.512A pdb=" N MET C3778 " --> pdb=" O GLY C3774 " (cutoff:3.500A) removed outlier: 5.102A pdb=" N LYS C3787 " --> pdb=" O ILE C3783 " (cutoff:3.500A) Processing helix chain 'C' and resid 3791 through 3806 Processing helix chain 'C' and resid 3809 through 3824 Processing helix chain 'C' and resid 3826 through 3839 removed outlier: 6.618A pdb=" N GLN C3830 " --> pdb=" O VAL C3826 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N CYS C3839 " --> pdb=" O LEU C3835 " (cutoff:3.500A) Processing helix chain 'C' and resid 3844 through 3858 removed outlier: 7.386A pdb=" N GLU C3848 " --> pdb=" O LEU C3844 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N ARG C3849 " --> pdb=" O ASN C3845 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLY C3855 " --> pdb=" O ASN C3851 " (cutoff:3.500A) Processing helix chain 'C' and resid 3877 through 3893 Processing helix chain 'C' and resid 3896 through 3905 removed outlier: 6.594A pdb=" N GLN C3900 " --> pdb=" O ASN C3896 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ASN C3901 " --> pdb=" O ASN C3897 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ARG C3904 " --> pdb=" O GLN C3900 " (cutoff:3.500A) Processing helix chain 'C' and resid 3914 through 3938 Processing helix chain 'C' and resid 3944 through 3970 Processing helix chain 'C' and resid 3973 through 3984 removed outlier: 5.112A pdb=" N ARG C3984 " --> pdb=" O LEU C3980 " (cutoff:3.500A) Processing helix chain 'C' and resid 3985 through 4004 removed outlier: 3.620A pdb=" N GLY C3991 " --> pdb=" O ASP C3987 " (cutoff:3.500A) Processing helix chain 'C' and resid 4009 through 4032 Processing helix chain 'C' and resid 4038 through 4052 removed outlier: 6.842A pdb=" N ARG C4042 " --> pdb=" O GLY C4038 " (cutoff:3.500A) Processing helix chain 'C' and resid 4053 through 4072 removed outlier: 4.001A pdb=" N PHE C4065 " --> pdb=" O PHE C4061 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASP C4070 " --> pdb=" O LEU C4066 " (cutoff:3.500A) Processing helix chain 'C' and resid 4074 through 4082 removed outlier: 4.932A pdb=" N THR C4082 " --> pdb=" O GLN C4078 " (cutoff:3.500A) Processing helix chain 'C' and resid 4089 through 4101 removed outlier: 5.145A pdb=" N LYS C4101 " --> pdb=" O MET C4097 " (cutoff:3.500A) Processing helix chain 'C' and resid 4104 through 4116 removed outlier: 5.085A pdb=" N GLU C4116 " --> pdb=" O LEU C4112 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4138 removed outlier: 5.693A pdb=" N PHE C4132 " --> pdb=" O PHE C4128 " (cutoff:3.500A) removed outlier: 5.046A pdb=" N GLN C4133 " --> pdb=" O ALA C4129 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N GLU C4134 " --> pdb=" O ASN C4130 " (cutoff:3.500A) Proline residue: C4135 - end of helix removed outlier: 5.060A pdb=" N ASP C4138 " --> pdb=" O GLU C4134 " (cutoff:3.500A) Processing helix chain 'C' and resid 4139 through 4155 Proline residue: C4155 - end of helix Processing helix chain 'C' and resid 4157 through 4168 removed outlier: 4.068A pdb=" N PHE C4163 " --> pdb=" O ARG C4159 " (cutoff:3.500A) Processing helix chain 'C' and resid 4169 through 4179 removed outlier: 4.186A pdb=" N ARG C4175 " --> pdb=" O LEU C4171 " (cutoff:3.500A) Proline residue: C4176 - end of helix removed outlier: 5.556A pdb=" N GLY C4179 " --> pdb=" O ARG C4175 " (cutoff:3.500A) Processing helix chain 'C' and resid 4198 through 4208 Proline residue: C4208 - end of helix Processing helix chain 'C' and resid 4209 through 4224 removed outlier: 3.536A pdb=" N GLU C4224 " --> pdb=" O ASP C4220 " (cutoff:3.500A) Processing helix chain 'C' and resid 4226 through 4252 removed outlier: 4.693A pdb=" N MET C4231 " --> pdb=" O GLU C4227 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N GLU C4232 " --> pdb=" O ALA C4228 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHE C4243 " --> pdb=" O GLU C4239 " (cutoff:3.500A) Processing helix chain 'C' and resid 4540 through 4559 removed outlier: 4.489A pdb=" N ARG C4557 " --> pdb=" O ASN C4553 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASN C4558 " --> pdb=" O TYR C4554 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N PHE C4559 " --> pdb=" O LEU C4555 " (cutoff:3.500A) Processing helix chain 'C' and resid 4560 through 4579 removed outlier: 4.590A pdb=" N PHE C4579 " --> pdb=" O PHE C4575 " (cutoff:3.500A) Processing helix chain 'C' and resid 4642 through 4683 removed outlier: 4.287A pdb=" N LEU C4648 " --> pdb=" O TRP C4644 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU C4649 " --> pdb=" O CYS C4645 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N LEU C4652 " --> pdb=" O LEU C4648 " (cutoff:3.500A) removed outlier: 5.344A pdb=" N VAL C4666 " --> pdb=" O ASN C4662 " (cutoff:3.500A) Proline residue: C4667 - end of helix Processing helix chain 'C' and resid 4696 through 4709 removed outlier: 5.341A pdb=" N GLN C4700 " --> pdb=" O ASP C4696 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N TRP C4701 " --> pdb=" O VAL C4697 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ARG C4703 " --> pdb=" O GLY C4699 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N LEU C4704 " --> pdb=" O GLN C4700 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N VAL C4705 " --> pdb=" O TRP C4701 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N LEU C4706 " --> pdb=" O ASP C4702 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ASN C4707 " --> pdb=" O ARG C4703 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N THR C4708 " --> pdb=" O LEU C4704 " (cutoff:3.500A) Proline residue: C4709 - end of helix Processing helix chain 'C' and resid 4719 through 4729 removed outlier: 3.740A pdb=" N LEU C4725 " --> pdb=" O LYS C4721 " (cutoff:3.500A) Processing helix chain 'C' and resid 4733 through 4742 removed outlier: 3.562A pdb=" N GLY C4742 " --> pdb=" O ALA C4738 " (cutoff:3.500A) Processing helix chain 'C' and resid 4748 through 4756 removed outlier: 3.933A pdb=" N ALA C4752 " --> pdb=" O LEU C4748 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N GLU C4755 " --> pdb=" O THR C4751 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N ARG C4756 " --> pdb=" O ALA C4752 " (cutoff:3.500A) Processing helix chain 'C' and resid 4766 through 4771 Processing helix chain 'C' and resid 4772 through 4786 removed outlier: 4.298A pdb=" N GLN C4776 " --> pdb=" O ASP C4772 " (cutoff:3.500A) Processing helix chain 'C' and resid 4787 through 4805 removed outlier: 4.053A pdb=" N TYR C4804 " --> pdb=" O LEU C4800 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ASN C4805 " --> pdb=" O LEU C4801 " (cutoff:3.500A) Processing helix chain 'C' and resid 4808 through 4820 removed outlier: 4.394A pdb=" N HIS C4812 " --> pdb=" O PHE C4808 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N LEU C4813 " --> pdb=" O PHE C4809 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N LEU C4814 " --> pdb=" O ALA C4810 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ASP C4815 " --> pdb=" O ALA C4811 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N GLY C4819 " --> pdb=" O ASP C4815 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL C4820 " --> pdb=" O ILE C4816 " (cutoff:3.500A) Processing helix chain 'C' and resid 4821 through 4833 removed outlier: 4.158A pdb=" N THR C4825 " --> pdb=" O LYS C4821 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ILE C4826 " --> pdb=" O THR C4822 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL C4830 " --> pdb=" O ILE C4826 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN C4833 " --> pdb=" O SER C4829 " (cutoff:3.500A) Processing helix chain 'C' and resid 4834 through 4858 removed outlier: 3.932A pdb=" N VAL C4838 " --> pdb=" O GLY C4834 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL C4854 " --> pdb=" O LEU C4850 " (cutoff:3.500A) Processing helix chain 'C' and resid 4859 through 4864 removed outlier: 3.748A pdb=" N ASN C4864 " --> pdb=" O ARG C4860 " (cutoff:3.500A) Processing helix chain 'C' and resid 4878 through 4893 removed outlier: 3.749A pdb=" N ARG C4892 " --> pdb=" O TYR C4888 " (cutoff:3.500A) Processing helix chain 'C' and resid 4896 through 4902 removed outlier: 4.790A pdb=" N GLU C4900 " --> pdb=" O GLY C4896 " (cutoff:3.500A) removed outlier: 4.957A pdb=" N GLU C4902 " --> pdb=" O GLY C4898 " (cutoff:3.500A) Processing helix chain 'C' and resid 4909 through 4924 Processing helix chain 'C' and resid 4928 through 4957 Processing helix chain 'C' and resid 4964 through 4970 removed outlier: 4.273A pdb=" N PHE C4968 " --> pdb=" O GLY C4964 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N THR C4970 " --> pdb=" O ASP C4966 " (cutoff:3.500A) Processing helix chain 'C' and resid 4973 through 4982 Processing helix chain 'C' and resid 4984 through 4998 removed outlier: 3.797A pdb=" N TYR C4988 " --> pdb=" O ASN C4984 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N MET C4989 " --> pdb=" O LEU C4985 " (cutoff:3.500A) Processing helix chain 'C' and resid 5004 through 5017 Processing helix chain 'C' and resid 5027 through 5033 removed outlier: 6.208A pdb=" N GLN C5031 " --> pdb=" O CYS C5027 " (cutoff:3.500A) Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.487A pdb=" N CYS D 65 " --> pdb=" O ASP D 61 " (cutoff:3.500A) Processing helix chain 'D' and resid 74 through 84 Processing helix chain 'D' and resid 249 through 256 removed outlier: 4.816A pdb=" N CYS D 253 " --> pdb=" O GLY D 249 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N THR D 254 " --> pdb=" O GLY D 250 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N ALA D 256 " --> pdb=" O VAL D 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 249 through 256' Processing helix chain 'D' and resid 364 through 371 removed outlier: 5.502A pdb=" N VAL D 371 " --> pdb=" O LEU D 367 " (cutoff:3.500A) Processing helix chain 'D' and resid 396 through 423 removed outlier: 3.692A pdb=" N SER D 420 " --> pdb=" O LYS D 416 " (cutoff:3.500A) removed outlier: 4.589A pdb=" N PHE D 421 " --> pdb=" O GLY D 417 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N SER D 422 " --> pdb=" O LEU D 418 " (cutoff:3.500A) removed outlier: 5.505A pdb=" N GLY D 423 " --> pdb=" O ASP D 419 " (cutoff:3.500A) Processing helix chain 'D' and resid 437 through 453 removed outlier: 4.148A pdb=" N VAL D 441 " --> pdb=" O PRO D 437 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILE D 442 " --> pdb=" O ILE D 438 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU D 443 " --> pdb=" O GLU D 439 " (cutoff:3.500A) Processing helix chain 'D' and resid 460 through 482 removed outlier: 3.652A pdb=" N GLN D 479 " --> pdb=" O GLN D 475 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N GLU D 480 " --> pdb=" O SER D 476 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N GLU D 481 " --> pdb=" O LEU D 477 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY D 482 " --> pdb=" O PHE D 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 483 through 496 removed outlier: 4.641A pdb=" N VAL D 487 " --> pdb=" O MET D 483 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N VAL D 496 " --> pdb=" O ASP D 492 " (cutoff:3.500A) Processing helix chain 'D' and resid 512 through 531 removed outlier: 4.267A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N TYR D 523 " --> pdb=" O VAL D 519 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N GLU D 524 " --> pdb=" O ASN D 520 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 541 removed outlier: 3.751A pdb=" N CYS D 537 " --> pdb=" O ASN D 533 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA D 538 " --> pdb=" O ARG D 534 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N LEU D 539 " --> pdb=" O ALA D 535 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) removed outlier: 5.431A 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: 3.693A pdb=" N LYS D 550 " --> pdb=" O TRP D 546 " (cutoff:3.500A) removed outlier: 4.836A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 556 through 571 removed outlier: 3.803A pdb=" N VAL D 567 " --> pdb=" O VAL D 563 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N LEU D 568 " --> pdb=" O LEU D 564 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ILE D 569 " --> pdb=" O TYR D 565 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N GLU D 570 " --> pdb=" O CYS D 566 " (cutoff:3.500A) Processing helix chain 'D' and resid 572 through 578 removed outlier: 4.412A pdb=" N ASN D 576 " --> pdb=" O PRO D 572 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) removed outlier: 3.626A 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: 3.563A pdb=" N LEU D 590 " --> pdb=" O ILE D 586 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASP D 591 " --> pdb=" O ILE D 587 " (cutoff:3.500A) Processing helix chain 'D' and resid 596 through 609 removed outlier: 3.864A pdb=" N LEU D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 626 removed outlier: 4.305A pdb=" N GLN D 618 " --> pdb=" O VAL D 614 " (cutoff:3.500A) removed outlier: 5.488A pdb=" N LEU D 626 " --> pdb=" O THR D 622 " (cutoff:3.500A) Processing helix chain 'D' and resid 868 through 890 removed outlier: 3.853A pdb=" N GLU D 872 " --> pdb=" O GLU D 868 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N LYS D 873 " --> pdb=" O ARG D 869 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N TRP D 882 " --> pdb=" O ILE D 878 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N ALA D 883 " --> pdb=" O HIS D 879 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N GLU D 888 " --> pdb=" O LEU D 884 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N GLN D 889 " --> pdb=" O THR D 885 " (cutoff:3.500A) Processing helix chain 'D' and resid 914 through 935 removed outlier: 5.398A pdb=" N LEU D 935 " --> pdb=" O THR D 931 " (cutoff:3.500A) Processing helix chain 'D' and resid 943 through 948 removed outlier: 6.694A pdb=" N GLU D 947 " --> pdb=" O ASP D 943 " (cutoff:3.500A) removed outlier: 4.268A 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 1001 removed outlier: 4.453A pdb=" N THR D 982 " --> pdb=" O THR D 978 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N ASP D 999 " --> pdb=" O VAL D 995 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ARG D1000 " --> pdb=" O TRP D 996 " (cutoff:3.500A) Processing helix chain 'D' and resid 1030 through 1045 removed outlier: 3.535A pdb=" N ASP D1037 " --> pdb=" O ARG D1033 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER D1038 " --> pdb=" O SER D1034 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LEU D1039 " --> pdb=" O ASN D1035 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N THR D1045 " --> pdb=" O GLN D1041 " (cutoff:3.500A) Processing helix chain 'D' and resid 1207 through 1212 removed outlier: 3.857A pdb=" N LEU D1211 " --> pdb=" O ASP D1207 " (cutoff:3.500A) removed outlier: 5.648A pdb=" N ARG D1212 " --> pdb=" O VAL D1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1207 through 1212' Processing helix chain 'D' and resid 1574 through 1581 removed outlier: 4.283A pdb=" N ALA D1578 " --> pdb=" O PRO D1574 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N MET D1579 " --> pdb=" O LEU D1575 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE D1580 " --> pdb=" O SER D1576 " (cutoff:3.500A) removed outlier: 3.887A 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 1657 removed outlier: 4.001A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) removed outlier: 5.617A pdb=" N GLU D1655 " --> pdb=" O LEU D1651 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ARG D1656 " --> pdb=" O GLU D1652 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEU D1657 " --> pdb=" O LEU D1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1649 through 1657' Processing helix chain 'D' and resid 1658 through 1675 Processing helix chain 'D' and resid 1678 through 1690 removed outlier: 4.417A pdb=" N ALA D1682 " --> pdb=" O ASN D1678 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N HIS D1683 " --> pdb=" O ASN D1679 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ALA D1684 " --> pdb=" O ARG D1680 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ASP D1690 " --> pdb=" O CYS D1686 " (cutoff:3.500A) Processing helix chain 'D' and resid 1691 through 1700 removed outlier: 3.803A pdb=" N LEU D1698 " --> pdb=" O LEU D1694 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1719 removed outlier: 6.824A pdb=" N ARG D1708 " --> pdb=" O PRO D1704 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALA D1709 " --> pdb=" O GLY D1705 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N HIS D1719 " --> pdb=" O LEU D1715 " (cutoff:3.500A) Processing helix chain 'D' and resid 1720 through 1732 removed outlier: 4.422A pdb=" N SER D1732 " --> pdb=" O ARG D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1746 removed outlier: 4.069A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N THR D1746 " --> pdb=" O THR D1742 " (cutoff:3.500A) Processing helix chain 'D' and resid 1754 through 1759 removed outlier: 4.271A pdb=" N ARG D1759 " --> pdb=" O GLY D1755 " (cutoff:3.500A) Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 3.748A pdb=" N VAL D1819 " --> pdb=" O LEU D1815 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARG D1820 " --> pdb=" O GLY D1816 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N GLN D1824 " --> pdb=" O ARG D1820 " (cutoff:3.500A) removed outlier: 4.556A 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: 3.847A pdb=" N MET D1851 " --> pdb=" O THR D1847 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N GLY D1852 " --> pdb=" O LEU D1848 " (cutoff:3.500A) Processing helix chain 'D' and resid 1855 through 1865 removed outlier: 4.221A pdb=" N MET D1865 " --> pdb=" O GLN D1861 " (cutoff:3.500A) Processing helix chain 'D' and resid 1866 through 1871 Processing helix chain 'D' and resid 1934 through 1984 removed outlier: 4.148A pdb=" N GLN D1938 " --> pdb=" O SER D1934 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR D1945 " --> pdb=" O ASN D1941 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N PHE D1946 " --> pdb=" O LEU D1942 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLU D1950 " --> pdb=" O PHE D1946 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N LEU D1951 " --> pdb=" O CYS D1947 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N GLU D1963 " --> pdb=" O ALA D1959 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG D1964 " --> pdb=" O ALA D1960 " (cutoff:3.500A) removed outlier: 5.248A pdb=" N PHE D1984 " --> pdb=" O LEU D1980 " (cutoff:3.500A) Processing helix chain 'D' and resid 1987 through 1999 removed outlier: 4.206A pdb=" N ARG D1996 " --> pdb=" O ALA D1992 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N GLU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE D1998 " --> pdb=" O ARG D1994 " (cutoff:3.500A) Processing helix chain 'D' and resid 2001 through 2015 removed outlier: 3.623A pdb=" N LEU D2009 " --> pdb=" O GLN D2005 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU D2010 " --> pdb=" O ILE D2006 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLU D2015 " --> pdb=" O HIS D2011 " (cutoff:3.500A) Processing helix chain 'D' and resid 2027 through 2043 removed outlier: 4.717A pdb=" N LEU D2031 " --> pdb=" O ILE D2027 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLN D2032 " --> pdb=" O ARG D2028 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2109 removed outlier: 4.229A pdb=" N ASP D2109 " --> pdb=" O TRP D2105 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 3.594A pdb=" N VAL D2117 " --> pdb=" O SER D2113 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY D2130 " --> pdb=" O ARG D2126 " (cutoff:3.500A) Processing helix chain 'D' and resid 2131 through 2139 Proline residue: D2139 - end of helix Processing helix chain 'D' and resid 2148 through 2169 removed outlier: 4.044A pdb=" N SER D2154 " --> pdb=" O GLU D2150 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU D2155 " --> pdb=" O ASP D2151 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) removed outlier: 5.545A pdb=" N GLN D2169 " --> pdb=" O LEU D2165 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2188 removed outlier: 3.816A 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: 4.216A pdb=" N ASN D2187 " --> pdb=" O GLY D2183 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) Processing helix chain 'D' and resid 2189 through 2195 removed outlier: 4.658A pdb=" N GLN D2193 " --> pdb=" O LYS D2189 " (cutoff:3.500A) removed outlier: 3.601A 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: 4.176A pdb=" N ASN D2213 " --> pdb=" O GLU D2209 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N VAL D2214 " --> pdb=" O VAL D2210 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU D2215 " --> pdb=" O MET D2211 " (cutoff:3.500A) Processing helix chain 'D' and resid 2226 through 2244 removed outlier: 6.777A pdb=" N THR D2230 " --> pdb=" O PRO D2226 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER D2231 " --> pdb=" O LYS D2227 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.186A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2255 removed outlier: 3.907A pdb=" N SER D2249 " --> pdb=" O GLN D2245 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ASP D2252 " --> pdb=" O ARG D2248 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N HIS D2253 " --> pdb=" O SER D2249 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU D2254 " --> pdb=" O MET D2250 " (cutoff:3.500A) removed outlier: 5.067A pdb=" N SER D2255 " --> pdb=" O PHE D2251 " (cutoff:3.500A) Processing helix chain 'D' and resid 2256 through 2265 removed outlier: 3.570A pdb=" N ASN D2260 " --> pdb=" O TYR D2256 " (cutoff:3.500A) removed outlier: 4.459A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N ILE D2263 " --> pdb=" O GLU D2259 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLY D2264 " --> pdb=" O ASN D2260 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEU D2265 " --> pdb=" O SER D2261 " (cutoff:3.500A) Processing helix chain 'D' and resid 2271 through 2282 removed outlier: 3.553A pdb=" N VAL D2275 " --> pdb=" O THR D2271 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ALA D2276 " --> pdb=" O PRO D2272 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ILE D2281 " --> pdb=" O ALA D2277 " (cutoff:3.500A) removed outlier: 5.157A pdb=" N ASP D2282 " --> pdb=" O ALA D2278 " (cutoff:3.500A) Processing helix chain 'D' and resid 2286 through 2291 removed outlier: 3.747A pdb=" N LEU D2290 " --> pdb=" O LEU D2286 " (cutoff:3.500A) removed outlier: 4.592A 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 2308 removed outlier: 3.642A pdb=" N SER D2300 " --> pdb=" O GLU D2296 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2315 removed outlier: 3.605A pdb=" N LEU D2314 " --> pdb=" O CYS D2310 " (cutoff:3.500A) Processing helix chain 'D' and resid 2324 through 2341 removed outlier: 4.111A pdb=" N GLY D2328 " --> pdb=" O ASN D2324 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LEU D2332 " --> pdb=" O GLY D2328 " (cutoff:3.500A) removed outlier: 5.486A pdb=" N ASP D2333 " --> pdb=" O GLU D2329 " (cutoff:3.500A) removed outlier: 5.782A pdb=" N PHE D2334 " --> pdb=" O ARG D2330 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LEU D2335 " --> pdb=" O TYR D2331 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N VAL D2341 " --> pdb=" O PHE D2337 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2361 removed outlier: 4.299A pdb=" N VAL D2352 " --> pdb=" O GLU D2348 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ARG D2359 " --> pdb=" O ARG D2355 " (cutoff:3.500A) removed outlier: 4.581A 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 Processing helix chain 'D' and resid 2448 through 2462 removed outlier: 4.651A pdb=" N ARG D2452 " --> pdb=" O GLY D2448 " (cutoff:3.500A) removed outlier: 3.743A 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 2473 removed outlier: 3.998A pdb=" N GLY D2468 " --> pdb=" O ASP D2464 " (cutoff:3.500A) Proline residue: D2473 - end of helix Processing helix chain 'D' and resid 2751 through 2774 removed outlier: 4.815A pdb=" N ILE D2755 " --> pdb=" O LEU D2751 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ALA D2759 " --> pdb=" O ILE D2755 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N THR D2762 " --> pdb=" O PHE D2758 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N HIS D2763 " --> pdb=" O ALA D2759 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N GLU D2764 " --> pdb=" O GLU D2760 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LYS D2765 " --> pdb=" O TYR D2761 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N TRP D2766 " --> pdb=" O THR D2762 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA D2767 " --> pdb=" O HIS D2763 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHE D2768 " --> pdb=" O GLU D2764 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ASP D2769 " --> pdb=" O LYS D2765 " (cutoff:3.500A) removed outlier: 5.704A pdb=" N LYS D2770 " --> pdb=" O TRP D2766 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N ILE D2771 " --> pdb=" O ALA D2767 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLN D2772 " --> pdb=" O PHE D2768 " (cutoff:3.500A) Processing helix chain 'D' and resid 2798 through 2804 removed outlier: 4.323A pdb=" N LYS D2802 " --> pdb=" O SER D2798 " (cutoff:3.500A) Processing helix chain 'D' and resid 2868 through 2879 removed outlier: 5.259A pdb=" N GLN D2872 " --> pdb=" O SER D2868 " (cutoff:3.500A) removed outlier: 4.753A pdb=" N ALA D2873 " --> pdb=" O ARG D2869 " (cutoff:3.500A) removed outlier: 8.198A pdb=" N MET D2874 " --> pdb=" O GLU D2870 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N ALA D2875 " --> pdb=" O LEU D2871 " (cutoff:3.500A) removed outlier: 6.073A pdb=" N GLU D2876 " --> pdb=" O GLN D2872 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N GLN D2877 " --> pdb=" O ALA D2873 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N ALA D2879 " --> pdb=" O ALA D2875 " (cutoff:3.500A) Processing helix chain 'D' and resid 2880 through 2892 removed outlier: 4.374A pdb=" N LYS D2891 " --> pdb=" O GLY D2887 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N GLN D2892 " --> pdb=" O ARG D2888 " (cutoff:3.500A) Processing helix chain 'D' and resid 2920 through 2930 removed outlier: 4.833A pdb=" N GLU D2925 " --> pdb=" O GLU D2921 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS D2928 " --> pdb=" O GLN D2924 " (cutoff:3.500A) Processing helix chain 'D' and resid 3645 through 3656 removed outlier: 3.634A pdb=" N LEU D3654 " --> pdb=" O CYS D3650 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N GLU D3655 " --> pdb=" O ASN D3651 " (cutoff:3.500A) removed outlier: 4.800A pdb=" N SER D3656 " --> pdb=" O MET D3652 " (cutoff:3.500A) Processing helix chain 'D' and resid 3668 through 3679 removed outlier: 3.663A pdb=" N LYS D3679 " --> pdb=" O ASP D3675 " (cutoff:3.500A) Processing helix chain 'D' and resid 3696 through 3711 Processing helix chain 'D' and resid 3719 through 3735 removed outlier: 3.506A pdb=" N SER D3732 " --> pdb=" O ILE D3728 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N CYS D3733 " --> pdb=" O MET D3729 " (cutoff:3.500A) Processing helix chain 'D' and resid 3752 through 3771 removed outlier: 4.383A pdb=" N ARG D3762 " --> pdb=" O MET D3758 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N LEU D3763 " --> pdb=" O GLU D3759 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU D3764 " --> pdb=" O LYS D3760 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N TYR D3765 " --> pdb=" O GLN D3761 " (cutoff:3.500A) removed outlier: 6.537A pdb=" N GLN D3766 " --> pdb=" O ARG D3762 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N GLN D3767 " --> pdb=" O LEU D3763 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N SER D3768 " --> pdb=" O LEU D3764 " (cutoff:3.500A) Processing helix chain 'D' and resid 3774 through 3787 removed outlier: 3.512A pdb=" N MET D3778 " --> pdb=" O GLY D3774 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N LYS D3787 " --> pdb=" O ILE D3783 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 Processing helix chain 'D' and resid 3809 through 3824 Processing helix chain 'D' and resid 3826 through 3839 removed outlier: 6.618A pdb=" N GLN D3830 " --> pdb=" O VAL D3826 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3844 through 3858 removed outlier: 7.386A pdb=" N GLU D3848 " --> pdb=" O LEU D3844 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N ARG D3849 " --> pdb=" O ASN D3845 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLY D3855 " --> pdb=" O ASN D3851 " (cutoff:3.500A) Processing helix chain 'D' and resid 3877 through 3893 Processing helix chain 'D' and resid 3896 through 3905 removed outlier: 6.594A pdb=" N GLN D3900 " --> pdb=" O ASN D3896 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ASN D3901 " --> pdb=" O ASN D3897 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ARG D3904 " --> pdb=" O GLN D3900 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3938 Processing helix chain 'D' and resid 3944 through 3970 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 4004 removed outlier: 3.619A pdb=" N GLY D3991 " --> pdb=" O ASP D3987 " (cutoff:3.500A) Processing helix chain 'D' and resid 4009 through 4032 Processing helix chain 'D' and resid 4038 through 4052 removed outlier: 6.842A pdb=" N ARG D4042 " --> pdb=" O GLY D4038 " (cutoff:3.500A) Processing helix chain 'D' and resid 4053 through 4072 removed outlier: 4.000A pdb=" N PHE D4065 " --> pdb=" O PHE D4061 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ASP D4070 " --> pdb=" O LEU D4066 " (cutoff:3.500A) Processing helix chain 'D' and resid 4074 through 4082 removed outlier: 4.932A pdb=" N THR D4082 " --> pdb=" O GLN D4078 " (cutoff:3.500A) Processing helix chain 'D' and resid 4089 through 4101 removed outlier: 5.145A pdb=" N LYS D4101 " --> pdb=" O MET D4097 " (cutoff:3.500A) Processing helix chain 'D' and resid 4104 through 4116 removed outlier: 5.086A pdb=" N GLU D4116 " --> pdb=" O LEU D4112 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4138 removed outlier: 5.693A pdb=" N PHE D4132 " --> pdb=" O PHE D4128 " (cutoff:3.500A) removed outlier: 5.046A pdb=" N GLN D4133 " --> pdb=" O ALA D4129 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N GLU D4134 " --> pdb=" O ASN D4130 " (cutoff:3.500A) Proline residue: D4135 - end of helix removed outlier: 5.061A pdb=" N ASP D4138 " --> pdb=" O GLU D4134 " (cutoff:3.500A) Processing helix chain 'D' and resid 4139 through 4155 Proline residue: D4155 - end of helix Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 4.068A pdb=" N PHE D4163 " --> pdb=" O ARG D4159 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4179 removed outlier: 4.186A pdb=" N ARG D4175 " --> pdb=" O LEU D4171 " (cutoff:3.500A) Proline residue: D4176 - end of helix removed outlier: 5.557A pdb=" N GLY D4179 " --> pdb=" O ARG D4175 " (cutoff:3.500A) Processing helix chain 'D' and resid 4198 through 4208 Proline residue: D4208 - end of helix Processing helix chain 'D' and resid 4209 through 4224 removed outlier: 3.536A pdb=" N GLU D4224 " --> pdb=" O ASP D4220 " (cutoff:3.500A) Processing helix chain 'D' and resid 4226 through 4252 removed outlier: 4.694A pdb=" N MET D4231 " --> pdb=" O GLU D4227 " (cutoff:3.500A) removed outlier: 4.823A pdb=" N GLU D4232 " --> pdb=" O ALA D4228 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHE D4243 " --> pdb=" O GLU D4239 " (cutoff:3.500A) Processing helix chain 'D' and resid 4540 through 4559 removed outlier: 4.489A pdb=" N ARG D4557 " --> pdb=" O ASN D4553 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASN D4558 " --> pdb=" O TYR D4554 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N PHE D4559 " --> pdb=" O LEU D4555 " (cutoff:3.500A) Processing helix chain 'D' and resid 4560 through 4579 removed outlier: 4.590A pdb=" N PHE D4579 " --> pdb=" O PHE D4575 " (cutoff:3.500A) Processing helix chain 'D' and resid 4642 through 4683 removed outlier: 4.288A pdb=" N LEU D4648 " --> pdb=" O TRP D4644 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU D4649 " --> pdb=" O CYS D4645 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N LEU D4652 " --> pdb=" O LEU D4648 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N VAL D4666 " --> pdb=" O ASN D4662 " (cutoff:3.500A) Proline residue: D4667 - end of helix Processing helix chain 'D' and resid 4696 through 4709 removed outlier: 5.341A pdb=" N GLN D4700 " --> pdb=" O ASP D4696 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N TRP D4701 " --> pdb=" O VAL D4697 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ARG D4703 " --> pdb=" O GLY D4699 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N LEU D4704 " --> pdb=" O GLN D4700 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N VAL D4705 " --> pdb=" O TRP D4701 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N LEU D4706 " --> pdb=" O ASP D4702 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N ASN D4707 " --> pdb=" O ARG D4703 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N THR D4708 " --> pdb=" O LEU D4704 " (cutoff:3.500A) Proline residue: D4709 - end of helix Processing helix chain 'D' and resid 4719 through 4729 removed outlier: 3.740A pdb=" N LEU D4725 " --> pdb=" O LYS D4721 " (cutoff:3.500A) Processing helix chain 'D' and resid 4733 through 4742 removed outlier: 3.562A pdb=" N GLY D4742 " --> pdb=" O ALA D4738 " (cutoff:3.500A) Processing helix chain 'D' and resid 4748 through 4756 removed outlier: 3.933A pdb=" N ALA D4752 " --> pdb=" O LEU D4748 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N GLU D4755 " --> pdb=" O THR D4751 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N ARG D4756 " --> pdb=" O ALA D4752 " (cutoff:3.500A) Processing helix chain 'D' and resid 4766 through 4771 Processing helix chain 'D' and resid 4772 through 4786 removed outlier: 4.297A pdb=" N GLN D4776 " --> pdb=" O ASP D4772 " (cutoff:3.500A) Processing helix chain 'D' and resid 4787 through 4805 removed outlier: 4.052A pdb=" N TYR D4804 " --> pdb=" O LEU D4800 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ASN D4805 " --> pdb=" O LEU D4801 " (cutoff:3.500A) Processing helix chain 'D' and resid 4808 through 4820 removed outlier: 4.394A pdb=" N HIS D4812 " --> pdb=" O PHE D4808 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ASP D4815 " --> pdb=" O ALA D4811 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N GLY D4819 " --> pdb=" O ASP D4815 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL D4820 " --> pdb=" O ILE D4816 " (cutoff:3.500A) Processing helix chain 'D' and resid 4821 through 4833 removed outlier: 4.158A pdb=" N THR D4825 " --> pdb=" O LYS D4821 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ILE D4826 " --> pdb=" O THR D4822 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N VAL D4830 " --> pdb=" O ILE D4826 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN D4833 " --> pdb=" O SER D4829 " (cutoff:3.500A) Processing helix chain 'D' and resid 4834 through 4858 removed outlier: 3.931A pdb=" N VAL D4838 " --> pdb=" O GLY D4834 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL D4854 " --> pdb=" O LEU D4850 " (cutoff:3.500A) Processing helix chain 'D' and resid 4859 through 4864 removed outlier: 3.749A pdb=" N ASN D4864 " --> pdb=" O ARG D4860 " (cutoff:3.500A) Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 3.749A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4896 through 4902 removed outlier: 4.790A pdb=" N GLU D4900 " --> pdb=" O GLY D4896 " (cutoff:3.500A) removed outlier: 4.957A pdb=" N GLU D4902 " --> pdb=" O GLY D4898 " (cutoff:3.500A) Processing helix chain 'D' and resid 4909 through 4924 Processing helix chain 'D' and resid 4928 through 4957 Processing helix chain 'D' and resid 4964 through 4970 removed outlier: 4.273A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N THR D4970 " --> pdb=" O ASP D4966 " (cutoff:3.500A) Processing helix chain 'D' and resid 4973 through 4982 Processing helix chain 'D' and resid 4984 through 4998 removed outlier: 3.798A pdb=" N TYR D4988 " --> pdb=" O ASN D4984 " (cutoff:3.500A) removed outlier: 6.596A pdb=" N MET D4989 " --> pdb=" O LEU D4985 " (cutoff:3.500A) Processing helix chain 'D' and resid 5004 through 5017 Processing helix chain 'D' and resid 5027 through 5033 removed outlier: 6.208A pdb=" N GLN D5031 " --> pdb=" O CYS D5027 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 52 removed outlier: 6.179A pdb=" N LYS A 34 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N LEU A 33 " --> pdb=" O ALA A 26 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N LEU A 37 " --> pdb=" O LEU A 22 " (cutoff:3.500A) removed outlier: 6.032A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 10.420A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 13.570A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) removed outlier: 6.833A 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: 7.004A pdb=" N LEU A 108 " --> pdb=" O GLU A 70 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N LEU A 109 " --> pdb=" O LEU A 118 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N MET A 116 " --> pdb=" O HIS A 111 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 181 through 184 Processing sheet with id= 4, first strand: chain 'A' and resid 220 through 224 Processing sheet with id= 5, first strand: chain 'A' and resid 260 through 264 Processing sheet with id= 6, first strand: chain 'A' and resid 314 through 318 Processing sheet with id= 7, first strand: chain 'A' and resid 641 through 645 removed outlier: 3.588A pdb=" N GLY A 685 " --> pdb=" O VAL A 780 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER A 782 " --> pdb=" O ARG A 683 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N HIS A 681 " --> pdb=" O SER A 784 " (cutoff:3.500A) removed outlier: 4.936A pdb=" N HIS A 720 " --> pdb=" O ASP A 717 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 753 through 759 removed outlier: 3.695A pdb=" N ASP A 742 " --> pdb=" O VAL A 668 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N LEU A 750 " --> pdb=" O GLY A 660 " (cutoff:3.500A) removed outlier: 8.030A pdb=" N GLY A 660 " --> pdb=" O LEU A 750 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 830 through 833 removed outlier: 4.407A pdb=" N GLY A 836 " --> pdb=" O GLY A 833 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N LEU A1202 " --> pdb=" O PRO A 837 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N VAL A1199 " --> pdb=" O VAL A1095 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 937 through 940 removed outlier: 3.816A pdb=" N GLY A 940 " --> pdb=" O GLY A1050 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N GLY A1050 " --> pdb=" O GLY A 940 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 1122 through 1125 removed outlier: 6.704A pdb=" N GLU A1099 " --> pdb=" O GLY A1195 " (cutoff:3.500A) removed outlier: 10.220A pdb=" N VAL A1072 " --> pdb=" O SER A1241 " (cutoff:3.500A) removed outlier: 7.487A pdb=" N SER A1241 " --> pdb=" O VAL A1072 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N ILE A1074 " --> pdb=" O SER A1239 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 1243 through 1247 Processing sheet with id= 13, first strand: chain 'A' and resid 1734 through 1738 Processing sheet with id= 14, first strand: chain 'A' and resid 4180 through 4184 Processing sheet with id= 15, first strand: chain 'A' and resid 4580 through 4584 Processing sheet with id= 16, first strand: chain 'A' and resid 105 through 108 removed outlier: 4.273A pdb=" N HIS A 105 " --> pdb=" O MET A 150 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'B' and resid 47 through 52 removed outlier: 6.179A pdb=" N LYS B 34 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N LEU B 33 " --> pdb=" O ALA B 26 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N LEU B 37 " --> pdb=" O LEU B 22 " (cutoff:3.500A) removed outlier: 6.032A pdb=" N LEU B 22 " --> pdb=" O LEU B 37 " (cutoff:3.500A) removed outlier: 10.419A pdb=" N ALA B 39 " --> pdb=" O VAL B 20 " (cutoff:3.500A) removed outlier: 13.569A pdb=" N VAL B 20 " --> pdb=" O ALA B 39 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N GLU B 19 " --> pdb=" O ILE B 205 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'B' and resid 67 through 70 removed outlier: 7.004A pdb=" N LEU B 108 " --> pdb=" O GLU B 70 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N LEU B 109 " --> pdb=" O LEU B 118 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N MET B 116 " --> pdb=" O HIS B 111 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'B' and resid 181 through 184 Processing sheet with id= 20, first strand: chain 'B' and resid 220 through 224 Processing sheet with id= 21, first strand: chain 'B' and resid 260 through 264 Processing sheet with id= 22, first strand: chain 'B' and resid 314 through 318 Processing sheet with id= 23, first strand: chain 'B' and resid 641 through 645 removed outlier: 3.587A pdb=" N GLY B 685 " --> pdb=" O VAL B 780 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER B 782 " --> pdb=" O ARG B 683 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N HIS B 681 " --> pdb=" O SER B 784 " (cutoff:3.500A) removed outlier: 4.936A pdb=" N HIS B 720 " --> pdb=" O ASP B 717 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'B' and resid 753 through 759 removed outlier: 3.694A pdb=" N ASP B 742 " --> pdb=" O VAL B 668 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N LEU B 750 " --> pdb=" O GLY B 660 " (cutoff:3.500A) removed outlier: 8.030A pdb=" N GLY B 660 " --> pdb=" O LEU B 750 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'B' and resid 830 through 833 removed outlier: 4.407A pdb=" N GLY B 836 " --> pdb=" O GLY B 833 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N LEU B1202 " --> pdb=" O PRO B 837 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N GLN B1198 " --> pdb=" O GLY B 841 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N VAL B1199 " --> pdb=" O VAL B1095 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'B' and resid 937 through 940 removed outlier: 3.817A pdb=" N GLY B 940 " --> pdb=" O GLY B1050 " (cutoff:3.500A) removed outlier: 5.024A pdb=" N GLY B1050 " --> pdb=" O GLY B 940 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'B' and resid 1122 through 1125 removed outlier: 6.704A pdb=" N GLU B1099 " --> pdb=" O GLY B1195 " (cutoff:3.500A) removed outlier: 10.220A pdb=" N VAL B1072 " --> pdb=" O SER B1241 " (cutoff:3.500A) removed outlier: 7.488A pdb=" N SER B1241 " --> pdb=" O VAL B1072 " (cutoff:3.500A) removed outlier: 5.041A pdb=" N ILE B1074 " --> pdb=" O SER B1239 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'B' and resid 1243 through 1247 Processing sheet with id= 29, first strand: chain 'B' and resid 1734 through 1738 Processing sheet with id= 30, first strand: chain 'B' and resid 4180 through 4184 Processing sheet with id= 31, first strand: chain 'B' and resid 4580 through 4584 Processing sheet with id= 32, first strand: chain 'B' and resid 105 through 108 removed outlier: 4.273A pdb=" N HIS B 105 " --> pdb=" O MET B 150 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'C' and resid 47 through 52 removed outlier: 6.179A pdb=" N LYS C 34 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N LEU C 33 " --> pdb=" O ALA C 26 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N LEU C 37 " --> pdb=" O LEU C 22 " (cutoff:3.500A) removed outlier: 6.033A pdb=" N LEU C 22 " --> pdb=" O LEU C 37 " (cutoff:3.500A) removed outlier: 10.420A pdb=" N ALA C 39 " --> pdb=" O VAL C 20 " (cutoff:3.500A) removed outlier: 13.569A pdb=" N VAL C 20 " --> pdb=" O ALA C 39 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N GLU C 19 " --> pdb=" O ILE C 205 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'C' and resid 67 through 70 removed outlier: 7.005A pdb=" N LEU C 108 " --> pdb=" O GLU C 70 " (cutoff:3.500A) removed outlier: 4.907A pdb=" N LEU C 109 " --> pdb=" O LEU C 118 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N MET C 116 " --> pdb=" O HIS C 111 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 181 through 184 Processing sheet with id= 36, first strand: chain 'C' and resid 220 through 224 Processing sheet with id= 37, first strand: chain 'C' and resid 260 through 264 Processing sheet with id= 38, first strand: chain 'C' and resid 314 through 318 Processing sheet with id= 39, first strand: chain 'C' and resid 641 through 645 removed outlier: 3.588A pdb=" N GLY C 685 " --> pdb=" O VAL C 780 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER C 782 " --> pdb=" O ARG C 683 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N HIS C 681 " --> pdb=" O SER C 784 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N HIS C 720 " --> pdb=" O ASP C 717 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'C' and resid 753 through 759 removed outlier: 3.694A pdb=" N ASP C 742 " --> pdb=" O VAL C 668 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N LEU C 750 " --> pdb=" O GLY C 660 " (cutoff:3.500A) removed outlier: 8.030A pdb=" N GLY C 660 " --> pdb=" O LEU C 750 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'C' and resid 830 through 833 removed outlier: 4.407A pdb=" N GLY C 836 " --> pdb=" O GLY C 833 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N LEU C1202 " --> pdb=" O PRO C 837 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N GLN C1198 " --> pdb=" O GLY C 841 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N VAL C1199 " --> pdb=" O VAL C1095 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'C' and resid 937 through 940 removed outlier: 3.816A pdb=" N GLY C 940 " --> pdb=" O GLY C1050 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N GLY C1050 " --> pdb=" O GLY C 940 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'C' and resid 1122 through 1125 removed outlier: 6.703A pdb=" N GLU C1099 " --> pdb=" O GLY C1195 " (cutoff:3.500A) removed outlier: 10.220A pdb=" N VAL C1072 " --> pdb=" O SER C1241 " (cutoff:3.500A) removed outlier: 7.487A pdb=" N SER C1241 " --> pdb=" O VAL C1072 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N ILE C1074 " --> pdb=" O SER C1239 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'C' and resid 1243 through 1247 Processing sheet with id= 45, first strand: chain 'C' and resid 1734 through 1738 Processing sheet with id= 46, first strand: chain 'C' and resid 4180 through 4184 Processing sheet with id= 47, first strand: chain 'C' and resid 4580 through 4584 Processing sheet with id= 48, first strand: chain 'C' and resid 105 through 108 removed outlier: 4.274A pdb=" N HIS C 105 " --> pdb=" O MET C 150 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'D' and resid 47 through 52 removed outlier: 6.179A pdb=" N LYS D 34 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEU D 33 " --> pdb=" O ALA D 26 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N LEU D 37 " --> pdb=" O LEU D 22 " (cutoff:3.500A) removed outlier: 6.032A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 10.419A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 13.568A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) removed outlier: 6.833A pdb=" N GLU D 19 " --> pdb=" O ILE D 205 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'D' and resid 67 through 70 removed outlier: 7.005A pdb=" N LEU D 108 " --> pdb=" O GLU D 70 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N LEU D 109 " --> pdb=" O LEU D 118 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N MET D 116 " --> pdb=" O HIS D 111 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'D' and resid 181 through 184 Processing sheet with id= 52, first strand: chain 'D' and resid 220 through 224 Processing sheet with id= 53, first strand: chain 'D' and resid 260 through 264 Processing sheet with id= 54, first strand: chain 'D' and resid 314 through 318 Processing sheet with id= 55, first strand: chain 'D' and resid 641 through 645 removed outlier: 3.588A pdb=" N GLY D 685 " --> pdb=" O VAL D 780 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER D 782 " --> pdb=" O ARG D 683 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N HIS D 681 " --> pdb=" O SER D 784 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N HIS D 720 " --> pdb=" O ASP D 717 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'D' and resid 753 through 759 removed outlier: 3.695A pdb=" N ASP D 742 " --> pdb=" O VAL D 668 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N LEU D 750 " --> pdb=" O GLY D 660 " (cutoff:3.500A) removed outlier: 8.030A pdb=" N GLY D 660 " --> pdb=" O LEU D 750 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'D' and resid 830 through 833 removed outlier: 4.406A pdb=" N GLY D 836 " --> pdb=" O GLY D 833 " (cutoff:3.500A) removed outlier: 5.451A pdb=" N LEU D1202 " --> pdb=" O PRO D 837 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N GLN D1198 " --> pdb=" O GLY D 841 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N VAL D1199 " --> pdb=" O VAL D1095 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'D' and resid 937 through 940 removed outlier: 3.816A pdb=" N GLY D 940 " --> pdb=" O GLY D1050 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N GLY D1050 " --> pdb=" O GLY D 940 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'D' and resid 1122 through 1125 removed outlier: 6.702A pdb=" N GLU D1099 " --> pdb=" O GLY D1195 " (cutoff:3.500A) removed outlier: 10.221A pdb=" N VAL D1072 " --> pdb=" O SER D1241 " (cutoff:3.500A) removed outlier: 7.487A pdb=" N SER D1241 " --> pdb=" O VAL D1072 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N ILE D1074 " --> pdb=" O SER D1239 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'D' and resid 1243 through 1247 Processing sheet with id= 61, first strand: chain 'D' and resid 1734 through 1738 Processing sheet with id= 62, first strand: chain 'D' and resid 4180 through 4184 Processing sheet with id= 63, first strand: chain 'D' and resid 4580 through 4584 Processing sheet with id= 64, first strand: chain 'D' and resid 105 through 108 removed outlier: 4.273A pdb=" N HIS D 105 " --> pdb=" O MET D 150 " (cutoff:3.500A) 4452 hydrogen bonds defined for protein. 13308 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: 62.61 Time building geometry restraints manager: 37.59 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.35: 40052 1.35 - 1.48: 28031 1.48 - 1.61: 50157 1.61 - 1.73: 28 1.73 - 1.86: 1004 Bond restraints: 119272 Sorted by residual: bond pdb=" C1' ACP C5101 " pdb=" O4' ACP C5101 " ideal model delta sigma weight residual 1.390 1.622 -0.232 2.00e-02 2.50e+03 1.35e+02 bond pdb=" C1' ACP D5101 " pdb=" O4' ACP D5101 " ideal model delta sigma weight residual 1.390 1.621 -0.231 2.00e-02 2.50e+03 1.34e+02 bond pdb=" C1' ACP B5101 " pdb=" O4' ACP B5101 " ideal model delta sigma weight residual 1.390 1.621 -0.231 2.00e-02 2.50e+03 1.34e+02 bond pdb=" C1' ACP A5101 " pdb=" O4' ACP A5101 " ideal model delta sigma weight residual 1.390 1.620 -0.230 2.00e-02 2.50e+03 1.33e+02 bond pdb=" C1' ACP B5101 " pdb=" C2' ACP B5101 " ideal model delta sigma weight residual 1.527 1.303 0.224 2.00e-02 2.50e+03 1.25e+02 ... (remaining 119267 not shown) Histogram of bond angle deviations from ideal: 92.20 - 100.58: 138 100.58 - 108.95: 6654 108.95 - 117.33: 79676 117.33 - 125.71: 74292 125.71 - 134.09: 1892 Bond angle restraints: 162652 Sorted by residual: angle pdb=" CA PRO D4641 " pdb=" N PRO D4641 " pdb=" CD PRO D4641 " ideal model delta sigma weight residual 112.00 93.12 18.88 1.40e+00 5.10e-01 1.82e+02 angle pdb=" CA PRO B4641 " pdb=" N PRO B4641 " pdb=" CD PRO B4641 " ideal model delta sigma weight residual 112.00 93.16 18.84 1.40e+00 5.10e-01 1.81e+02 angle pdb=" CA PRO A4641 " pdb=" N PRO A4641 " pdb=" CD PRO A4641 " ideal model delta sigma weight residual 112.00 93.17 18.83 1.40e+00 5.10e-01 1.81e+02 angle pdb=" CA PRO C4641 " pdb=" N PRO C4641 " pdb=" CD PRO C4641 " ideal model delta sigma weight residual 112.00 93.18 18.82 1.40e+00 5.10e-01 1.81e+02 angle pdb=" CA PRO D3972 " pdb=" N PRO D3972 " pdb=" CD PRO D3972 " ideal model delta sigma weight residual 112.00 100.33 11.67 1.40e+00 5.10e-01 6.94e+01 ... (remaining 162647 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 31.08: 68576 31.08 - 62.17: 2518 62.17 - 93.25: 222 93.25 - 124.34: 2 124.34 - 155.42: 6 Dihedral angle restraints: 71324 sinusoidal: 23140 harmonic: 48184 Sorted by residual: dihedral pdb=" CA ALA D3680 " pdb=" C ALA D3680 " pdb=" N GLY D3681 " pdb=" CA GLY D3681 " ideal model delta harmonic sigma weight residual 180.00 143.34 36.66 0 5.00e+00 4.00e-02 5.38e+01 dihedral pdb=" CA ALA A3680 " pdb=" C ALA A3680 " pdb=" N GLY A3681 " pdb=" CA GLY A3681 " ideal model delta harmonic sigma weight residual 180.00 143.36 36.64 0 5.00e+00 4.00e-02 5.37e+01 dihedral pdb=" CA ALA B3680 " pdb=" C ALA B3680 " pdb=" N GLY B3681 " pdb=" CA GLY B3681 " ideal model delta harmonic sigma weight residual 180.00 143.38 36.62 0 5.00e+00 4.00e-02 5.36e+01 ... (remaining 71321 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.075: 17402 0.075 - 0.151: 1523 0.151 - 0.226: 72 0.226 - 0.302: 23 0.302 - 0.377: 8 Chirality restraints: 19028 Sorted by residual: chirality pdb=" C2' ACP D5101 " pdb=" C1' ACP D5101 " pdb=" C3' ACP D5101 " pdb=" O2' ACP D5101 " both_signs ideal model delta sigma weight residual False -2.75 -2.38 -0.38 2.00e-01 2.50e+01 3.56e+00 chirality pdb=" C2' ACP C5101 " pdb=" C1' ACP C5101 " pdb=" C3' ACP C5101 " pdb=" O2' ACP C5101 " both_signs ideal model delta sigma weight residual False -2.75 -2.38 -0.38 2.00e-01 2.50e+01 3.56e+00 chirality pdb=" C2' ACP B5101 " pdb=" C1' ACP B5101 " pdb=" C3' ACP B5101 " pdb=" O2' ACP B5101 " both_signs ideal model delta sigma weight residual False -2.75 -2.39 -0.37 2.00e-01 2.50e+01 3.36e+00 ... (remaining 19025 not shown) Planarity restraints: 21412 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C GLU D4640 " -0.106 5.00e-02 4.00e+02 1.43e-01 3.26e+01 pdb=" N PRO D4641 " 0.246 5.00e-02 4.00e+02 pdb=" CA PRO D4641 " -0.064 5.00e-02 4.00e+02 pdb=" CD PRO D4641 " -0.075 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLU B4640 " -0.106 5.00e-02 4.00e+02 1.43e-01 3.26e+01 pdb=" N PRO B4641 " 0.246 5.00e-02 4.00e+02 pdb=" CA PRO B4641 " -0.065 5.00e-02 4.00e+02 pdb=" CD PRO B4641 " -0.075 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLU A4640 " -0.106 5.00e-02 4.00e+02 1.43e-01 3.26e+01 pdb=" N PRO A4641 " 0.246 5.00e-02 4.00e+02 pdb=" CA PRO A4641 " -0.065 5.00e-02 4.00e+02 pdb=" CD PRO A4641 " -0.075 5.00e-02 4.00e+02 ... (remaining 21409 not shown) Histogram of nonbonded interaction distances: 2.22 - 2.76: 14291 2.76 - 3.29: 113988 3.29 - 3.83: 183724 3.83 - 4.36: 191692 4.36 - 4.90: 340014 Nonbonded interactions: 843709 Sorted by model distance: nonbonded pdb=" OG1 THR C1156 " pdb=" OE1 GLU C1157 " model vdw 2.223 2.440 nonbonded pdb=" OG1 THR A1156 " pdb=" OE1 GLU A1157 " model vdw 2.223 2.440 nonbonded pdb=" OG1 THR B1156 " pdb=" OE1 GLU B1157 " model vdw 2.223 2.440 nonbonded pdb=" OG1 THR D1156 " pdb=" OE1 GLU D1157 " model vdw 2.224 2.440 nonbonded pdb=" O VAL D4848 " pdb=" OG1 THR D4852 " model vdw 2.233 2.440 ... (remaining 843704 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.250 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.110 Extract box with map and model: 18.650 Check model and map are aligned: 1.260 Set scattering table: 0.830 Process input model: 274.160 Find NCS groups from input model: 6.080 Set up NCS constraints: 0.570 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:2.670 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 307.600 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7583 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.232 119272 Z= 0.308 Angle : 0.909 18.883 162652 Z= 0.459 Chirality : 0.043 0.377 19028 Planarity : 0.006 0.143 21412 Dihedral : 15.777 155.419 39960 Min Nonbonded Distance : 2.223 Molprobity Statistics. All-atom Clashscore : 5.62 Ramachandran Plot: Outliers : 0.19 % Allowed : 5.95 % Favored : 93.86 % Rotamer: Outliers : 0.37 % Allowed : 13.97 % Favored : 85.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.07 % 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: -0.38 (0.07), residues: 12804 helix: 1.19 (0.07), residues: 5780 sheet: -0.37 (0.16), residues: 1048 loop : -1.74 (0.07), residues: 5976 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.021 0.001 TRP B2886 HIS 0.021 0.001 HIS C 218 PHE 0.043 0.002 PHE C4923 TYR 0.043 0.002 TYR A2882 ARG 0.011 0.001 ARG C 469 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1284 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 37 poor density : 1247 time to evaluate : 8.999 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 316 PHE cc_start: 0.8498 (m-80) cc_final: 0.7786 (t80) REVERT: A 941 MET cc_start: 0.5692 (ttt) cc_final: 0.4600 (mtt) REVERT: A 2198 MET cc_start: 0.8141 (mmp) cc_final: 0.7936 (mmp) REVERT: A 3669 PHE cc_start: 0.6636 (t80) cc_final: 0.6425 (t80) REVERT: A 3675 ASP cc_start: 0.8375 (t0) cc_final: 0.8123 (t0) REVERT: A 4571 PHE cc_start: 0.8922 (m-80) cc_final: 0.8694 (m-10) REVERT: A 4827 LEU cc_start: 0.8748 (mt) cc_final: 0.8283 (tp) REVERT: A 4874 MET cc_start: 0.7997 (OUTLIER) cc_final: 0.7457 (ptt) REVERT: A 4875 LYS cc_start: 0.7859 (mmtp) cc_final: 0.7336 (mmtm) REVERT: B 316 PHE cc_start: 0.8497 (m-80) cc_final: 0.7791 (t80) REVERT: B 941 MET cc_start: 0.5736 (ttt) cc_final: 0.4630 (mtt) REVERT: B 2198 MET cc_start: 0.8136 (mmp) cc_final: 0.7933 (mmp) REVERT: B 3675 ASP cc_start: 0.8366 (t0) cc_final: 0.8128 (t0) REVERT: B 4571 PHE cc_start: 0.8914 (m-80) cc_final: 0.8685 (m-10) REVERT: B 4639 MET cc_start: 0.4780 (tpt) cc_final: 0.4563 (mtp) REVERT: B 4814 LEU cc_start: 0.8748 (tt) cc_final: 0.8458 (mm) REVERT: B 4827 LEU cc_start: 0.8725 (mt) cc_final: 0.8256 (tp) REVERT: B 4874 MET cc_start: 0.8126 (OUTLIER) cc_final: 0.7511 (ptt) REVERT: B 4875 LYS cc_start: 0.7781 (mmtp) cc_final: 0.7232 (mmtm) REVERT: C 316 PHE cc_start: 0.8492 (m-80) cc_final: 0.7790 (t80) REVERT: C 941 MET cc_start: 0.5735 (ttt) cc_final: 0.4616 (mtt) REVERT: C 2198 MET cc_start: 0.8124 (mmp) cc_final: 0.7905 (mmp) REVERT: C 2790 MET cc_start: 0.2304 (ppp) cc_final: 0.1355 (ptp) REVERT: C 3675 ASP cc_start: 0.8349 (t0) cc_final: 0.8091 (t0) REVERT: C 4571 PHE cc_start: 0.8920 (m-80) cc_final: 0.8675 (m-10) REVERT: C 4639 MET cc_start: 0.4561 (tpt) cc_final: 0.4318 (mtp) REVERT: C 4814 LEU cc_start: 0.8743 (tt) cc_final: 0.8474 (mm) REVERT: C 4874 MET cc_start: 0.8228 (OUTLIER) cc_final: 0.7582 (ptt) REVERT: C 4875 LYS cc_start: 0.7566 (mmtp) cc_final: 0.6934 (mmtm) REVERT: C 4922 PHE cc_start: 0.8251 (m-80) cc_final: 0.7856 (m-80) REVERT: D 316 PHE cc_start: 0.8486 (m-80) cc_final: 0.7784 (t80) REVERT: D 2198 MET cc_start: 0.8148 (mmp) cc_final: 0.7943 (mmp) REVERT: D 2886 TRP cc_start: 0.7473 (t-100) cc_final: 0.6887 (t-100) REVERT: D 3675 ASP cc_start: 0.8358 (t0) cc_final: 0.8096 (t0) REVERT: D 4571 PHE cc_start: 0.8911 (m-80) cc_final: 0.8666 (m-10) REVERT: D 4639 MET cc_start: 0.4509 (tpt) cc_final: 0.4277 (mtp) REVERT: D 4874 MET cc_start: 0.8133 (OUTLIER) cc_final: 0.7523 (ptt) REVERT: D 4875 LYS cc_start: 0.7590 (mmtp) cc_final: 0.6882 (mmtm) REVERT: D 4922 PHE cc_start: 0.8245 (m-80) cc_final: 0.7908 (m-80) outliers start: 37 outliers final: 9 residues processed: 1267 average time/residue: 0.9002 time to fit residues: 2042.8541 Evaluate side-chains 946 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 13 poor density : 933 time to evaluate : 9.065 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4874 MET Chi-restraints excluded: chain B residue 464 LYS Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4874 MET Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4874 MET Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4985 LEU Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- 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 201 ASN A 226 HIS ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 617 ASN ** A 634 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 735 GLN ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1252 HIS ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1274 HIS ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2095 GLN A2184 ASN ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2756 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3704 HIS ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3814 GLN ** A3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3960 GLN A4043 GLN A4054 ASN A4078 GLN ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4650 HIS ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4984 ASN B 201 ASN B 226 HIS ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 489 ASN ** B 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 617 ASN ** B 634 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 735 GLN ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1252 HIS ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1274 HIS ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2095 GLN B2184 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2756 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3704 HIS ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3814 GLN B3882 GLN ** B3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3960 GLN B4043 GLN B4054 ASN B4078 GLN ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4984 ASN C 201 ASN C 226 HIS ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 617 ASN ** C 634 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 735 GLN ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1252 HIS ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1274 HIS ** C1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1953 HIS C2095 GLN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2756 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3704 HIS ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3814 GLN ** C3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3960 GLN C4043 GLN C4054 ASN C4078 GLN ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4984 ASN D 201 ASN D 226 HIS ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 617 ASN ** D 634 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 735 GLN ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1252 HIS ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1274 HIS ** D1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1953 HIS D2095 GLN D2184 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2756 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3704 HIS ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3814 GLN D3830 GLN D3833 GLN ** D3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3960 GLN D4043 GLN D4054 ASN D4078 GLN ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4984 ASN Total number of N/Q/H flips: 66 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8418 moved from start: 0.6974 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.405 119272 Z= 3.664 Angle : 3.327 30.869 162652 Z= 1.680 Chirality : 0.159 0.745 19028 Planarity : 0.021 0.207 21412 Dihedral : 12.670 177.009 17644 Min Nonbonded Distance : 1.793 Molprobity Statistics. All-atom Clashscore : 76.43 Ramachandran Plot: Outliers : 3.48 % Allowed : 17.46 % Favored : 79.06 % Rotamer: Outliers : 16.50 % Allowed : 22.42 % Favored : 61.07 % Cbeta Deviations : 0.94 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.26 % Twisted General : 1.75 % 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: -5.62 (0.06), residues: 12804 helix: -3.49 (0.05), residues: 5812 sheet: -3.11 (0.13), residues: 1148 loop : -4.11 (0.07), residues: 5844 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.078 0.012 TRP D5011 HIS 0.083 0.009 HIS A3771 PHE 0.116 0.012 PHE C1238 TYR 0.093 0.011 TYR B 808 ARG 0.044 0.004 ARG A2806 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2335 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1659 poor density : 676 time to evaluate : 9.116 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 211 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8547 (pp20) REVERT: A 280 LEU cc_start: 0.8519 (OUTLIER) cc_final: 0.7965 (pp) REVERT: A 302 VAL cc_start: 0.9348 (t) cc_final: 0.9105 (p) REVERT: A 359 TYR cc_start: 0.7917 (OUTLIER) cc_final: 0.7321 (p90) REVERT: A 383 HIS cc_start: 0.7825 (OUTLIER) cc_final: 0.7114 (t70) REVERT: A 623 GLU cc_start: 0.8057 (OUTLIER) cc_final: 0.7826 (mt-10) REVERT: A 659 TYR cc_start: 0.6667 (OUTLIER) cc_final: 0.6408 (t80) REVERT: A 824 GLU cc_start: 0.8715 (OUTLIER) cc_final: 0.8478 (pt0) REVERT: A 891 TRP cc_start: 0.4580 (m-90) cc_final: 0.4362 (m-90) REVERT: A 955 LEU cc_start: 0.3057 (OUTLIER) cc_final: 0.2381 (mt) REVERT: A 1137 GLU cc_start: 0.8781 (OUTLIER) cc_final: 0.8282 (mm-30) REVERT: A 1143 TRP cc_start: 0.9048 (OUTLIER) cc_final: 0.8595 (p90) REVERT: A 1164 LEU cc_start: 0.9119 (OUTLIER) cc_final: 0.8745 (pt) REVERT: A 1202 LEU cc_start: 0.9559 (OUTLIER) cc_final: 0.9289 (tp) REVERT: A 1734 TYR cc_start: 0.9211 (OUTLIER) cc_final: 0.8602 (m-10) REVERT: A 1958 LEU cc_start: 0.9252 (OUTLIER) cc_final: 0.8987 (tp) REVERT: A 2126 ARG cc_start: 0.9665 (OUTLIER) cc_final: 0.8881 (ttm-80) REVERT: A 2192 TYR cc_start: 0.8258 (OUTLIER) cc_final: 0.7248 (m-80) REVERT: A 2211 MET cc_start: 0.9240 (tmm) cc_final: 0.9036 (tmm) REVERT: A 2886 TRP cc_start: 0.8142 (OUTLIER) cc_final: 0.7458 (t-100) REVERT: A 2888 ARG cc_start: 0.7425 (OUTLIER) cc_final: 0.7100 (tpt170) REVERT: A 2889 LYS cc_start: 0.8556 (OUTLIER) cc_final: 0.8274 (mmmm) REVERT: A 4009 GLN cc_start: 0.8833 (OUTLIER) cc_final: 0.8143 (mt0) REVERT: A 4078 GLN cc_start: 0.9096 (OUTLIER) cc_final: 0.8773 (mp10) REVERT: A 4208 PRO cc_start: 0.8478 (OUTLIER) cc_final: 0.8272 (Cg_endo) REVERT: A 4232 GLU cc_start: 0.8885 (OUTLIER) cc_final: 0.8224 (tm-30) REVERT: A 4580 TYR cc_start: 0.8307 (OUTLIER) cc_final: 0.7063 (m-80) REVERT: A 4734 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.8551 (mtm180) REVERT: A 4771 ILE cc_start: 0.7954 (OUTLIER) cc_final: 0.7745 (mm) REVERT: A 4796 MET cc_start: 0.8024 (OUTLIER) cc_final: 0.7243 (tmm) REVERT: A 4798 MET cc_start: 0.8574 (tpp) cc_final: 0.8334 (tpp) REVERT: A 4800 LEU cc_start: 0.8061 (OUTLIER) cc_final: 0.7847 (mp) REVERT: A 4886 HIS cc_start: 0.8715 (OUTLIER) cc_final: 0.8085 (t-90) REVERT: A 4949 GLN cc_start: 0.8494 (OUTLIER) cc_final: 0.7819 (tm-30) REVERT: A 4954 MET cc_start: 0.8555 (tpp) cc_final: 0.8201 (tpp) REVERT: A 4978 HIS cc_start: 0.8358 (OUTLIER) cc_final: 0.7623 (t70) REVERT: A 4997 ASN cc_start: 0.8955 (OUTLIER) cc_final: 0.8568 (t0) REVERT: A 5031 GLN cc_start: 0.9338 (OUTLIER) cc_final: 0.8997 (tt0) REVERT: B 211 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8571 (pp20) REVERT: B 280 LEU cc_start: 0.8519 (OUTLIER) cc_final: 0.7948 (pp) REVERT: B 302 VAL cc_start: 0.9339 (t) cc_final: 0.9099 (p) REVERT: B 359 TYR cc_start: 0.7875 (OUTLIER) cc_final: 0.7265 (p90) REVERT: B 383 HIS cc_start: 0.7789 (OUTLIER) cc_final: 0.7133 (t70) REVERT: B 626 LEU cc_start: 0.6969 (OUTLIER) cc_final: 0.5955 (mp) REVERT: B 659 TYR cc_start: 0.6786 (OUTLIER) cc_final: 0.6457 (t80) REVERT: B 824 GLU cc_start: 0.8704 (OUTLIER) cc_final: 0.8466 (pt0) REVERT: B 891 TRP cc_start: 0.4551 (m-90) cc_final: 0.4328 (m-90) REVERT: B 955 LEU cc_start: 0.2860 (OUTLIER) cc_final: 0.2186 (mt) REVERT: B 1137 GLU cc_start: 0.8779 (OUTLIER) cc_final: 0.8251 (mm-30) REVERT: B 1143 TRP cc_start: 0.9054 (OUTLIER) cc_final: 0.8560 (p90) REVERT: B 1164 LEU cc_start: 0.9116 (OUTLIER) cc_final: 0.8713 (pt) REVERT: B 1167 GLU cc_start: 0.7820 (OUTLIER) cc_final: 0.7583 (pt0) REVERT: B 1202 LEU cc_start: 0.9560 (OUTLIER) cc_final: 0.9274 (tp) REVERT: B 1653 LEU cc_start: 0.9708 (OUTLIER) cc_final: 0.9491 (mp) REVERT: B 1734 TYR cc_start: 0.9219 (OUTLIER) cc_final: 0.8602 (m-80) REVERT: B 1958 LEU cc_start: 0.9255 (OUTLIER) cc_final: 0.9009 (tp) REVERT: B 2126 ARG cc_start: 0.9677 (OUTLIER) cc_final: 0.8908 (ttm-80) REVERT: B 2192 TYR cc_start: 0.8326 (OUTLIER) cc_final: 0.7317 (m-80) REVERT: B 2211 MET cc_start: 0.9216 (tmm) cc_final: 0.9000 (tmm) REVERT: B 2886 TRP cc_start: 0.8262 (OUTLIER) cc_final: 0.7575 (t-100) REVERT: B 2888 ARG cc_start: 0.7451 (OUTLIER) cc_final: 0.7152 (tpt170) REVERT: B 2889 LYS cc_start: 0.8568 (OUTLIER) cc_final: 0.8279 (mmmm) REVERT: B 4009 GLN cc_start: 0.8823 (OUTLIER) cc_final: 0.8059 (mt0) REVERT: B 4042 ARG cc_start: 0.8575 (OUTLIER) cc_final: 0.8322 (mtm-85) REVERT: B 4078 GLN cc_start: 0.9066 (OUTLIER) cc_final: 0.8785 (mp10) REVERT: B 4208 PRO cc_start: 0.8488 (OUTLIER) cc_final: 0.8264 (Cg_endo) REVERT: B 4232 GLU cc_start: 0.8893 (OUTLIER) cc_final: 0.8210 (tm-30) REVERT: B 4580 TYR cc_start: 0.8314 (OUTLIER) cc_final: 0.7107 (m-80) REVERT: B 4640 GLU cc_start: 0.6422 (OUTLIER) cc_final: 0.6154 (mm-30) REVERT: B 4682 GLU cc_start: 0.9219 (tm-30) cc_final: 0.8996 (tm-30) REVERT: B 4771 ILE cc_start: 0.7973 (OUTLIER) cc_final: 0.7752 (mm) REVERT: B 4796 MET cc_start: 0.8082 (OUTLIER) cc_final: 0.7289 (tmm) REVERT: B 4800 LEU cc_start: 0.7998 (OUTLIER) cc_final: 0.7770 (mp) REVERT: B 4823 LEU cc_start: 0.9413 (OUTLIER) cc_final: 0.9194 (mp) REVERT: B 4886 HIS cc_start: 0.8745 (OUTLIER) cc_final: 0.8084 (t-90) REVERT: B 4949 GLN cc_start: 0.8494 (OUTLIER) cc_final: 0.7634 (tm-30) REVERT: B 4954 MET cc_start: 0.8552 (tpp) cc_final: 0.8204 (tpp) REVERT: B 4961 CYS cc_start: 0.9360 (OUTLIER) cc_final: 0.6611 (t) REVERT: B 4997 ASN cc_start: 0.8969 (OUTLIER) cc_final: 0.8580 (t0) REVERT: B 5031 GLN cc_start: 0.9339 (OUTLIER) cc_final: 0.9060 (tt0) REVERT: C 211 GLU cc_start: 0.8935 (OUTLIER) cc_final: 0.8579 (pp20) REVERT: C 226 HIS cc_start: 0.8120 (OUTLIER) cc_final: 0.7739 (p90) REVERT: C 280 LEU cc_start: 0.8545 (OUTLIER) cc_final: 0.7984 (pp) REVERT: C 302 VAL cc_start: 0.9343 (t) cc_final: 0.9100 (p) REVERT: C 359 TYR cc_start: 0.7754 (OUTLIER) cc_final: 0.7214 (p90) REVERT: C 383 HIS cc_start: 0.7862 (OUTLIER) cc_final: 0.7153 (t70) REVERT: C 424 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.9129 (ptpp) REVERT: C 623 GLU cc_start: 0.8030 (OUTLIER) cc_final: 0.7772 (mt-10) REVERT: C 659 TYR cc_start: 0.6707 (OUTLIER) cc_final: 0.6403 (t80) REVERT: C 700 GLU cc_start: 0.8500 (OUTLIER) cc_final: 0.8151 (mp0) REVERT: C 705 ASN cc_start: 0.7880 (m-40) cc_final: 0.7494 (m-40) REVERT: C 891 TRP cc_start: 0.4573 (m-90) cc_final: 0.4365 (m-90) REVERT: C 955 LEU cc_start: 0.2903 (OUTLIER) cc_final: 0.2243 (mt) REVERT: C 1137 GLU cc_start: 0.8774 (OUTLIER) cc_final: 0.8288 (mm-30) REVERT: C 1143 TRP cc_start: 0.9057 (OUTLIER) cc_final: 0.8549 (p90) REVERT: C 1202 LEU cc_start: 0.9564 (OUTLIER) cc_final: 0.9274 (tp) REVERT: C 1734 TYR cc_start: 0.9244 (OUTLIER) cc_final: 0.8655 (m-80) REVERT: C 1958 LEU cc_start: 0.9237 (OUTLIER) cc_final: 0.9017 (tp) REVERT: C 2126 ARG cc_start: 0.9689 (OUTLIER) cc_final: 0.8907 (ttm-80) REVERT: C 2192 TYR cc_start: 0.8261 (OUTLIER) cc_final: 0.7254 (m-80) REVERT: C 2198 MET cc_start: 0.8912 (OUTLIER) cc_final: 0.8686 (mmp) REVERT: C 2211 MET cc_start: 0.9190 (tmm) cc_final: 0.8923 (tmm) REVERT: C 2457 LEU cc_start: 0.9254 (OUTLIER) cc_final: 0.8925 (tt) REVERT: C 2886 TRP cc_start: 0.8187 (OUTLIER) cc_final: 0.7723 (t-100) REVERT: C 2888 ARG cc_start: 0.7367 (OUTLIER) cc_final: 0.7149 (tpt170) REVERT: C 4009 GLN cc_start: 0.8839 (OUTLIER) cc_final: 0.8230 (mt0) REVERT: C 4042 ARG cc_start: 0.8591 (OUTLIER) cc_final: 0.8335 (mtm-85) REVERT: C 4078 GLN cc_start: 0.9038 (OUTLIER) cc_final: 0.8745 (mp10) REVERT: C 4208 PRO cc_start: 0.8496 (OUTLIER) cc_final: 0.8264 (Cg_endo) REVERT: C 4232 GLU cc_start: 0.8841 (OUTLIER) cc_final: 0.8161 (tm-30) REVERT: C 4245 MET cc_start: 0.9185 (mtm) cc_final: 0.8864 (mtm) REVERT: C 4580 TYR cc_start: 0.8231 (OUTLIER) cc_final: 0.7068 (m-80) REVERT: C 4682 GLU cc_start: 0.9214 (tm-30) cc_final: 0.8994 (tm-30) REVERT: C 4771 ILE cc_start: 0.7933 (OUTLIER) cc_final: 0.7698 (mm) REVERT: C 4796 MET cc_start: 0.7966 (OUTLIER) cc_final: 0.7248 (tmm) REVERT: C 4800 LEU cc_start: 0.8004 (OUTLIER) cc_final: 0.7789 (mp) REVERT: C 4886 HIS cc_start: 0.8749 (OUTLIER) cc_final: 0.8023 (t-90) REVERT: C 4949 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.7818 (tm-30) REVERT: C 4954 MET cc_start: 0.8560 (tpp) cc_final: 0.8235 (tpp) REVERT: C 4961 CYS cc_start: 0.9342 (OUTLIER) cc_final: 0.6587 (t) REVERT: C 4997 ASN cc_start: 0.8976 (OUTLIER) cc_final: 0.8591 (t0) REVERT: C 5031 GLN cc_start: 0.9333 (OUTLIER) cc_final: 0.9038 (tt0) REVERT: D 211 GLU cc_start: 0.8932 (OUTLIER) cc_final: 0.8586 (pp20) REVERT: D 226 HIS cc_start: 0.8114 (OUTLIER) cc_final: 0.7714 (p90) REVERT: D 302 VAL cc_start: 0.9332 (t) cc_final: 0.9100 (p) REVERT: D 359 TYR cc_start: 0.7812 (OUTLIER) cc_final: 0.7154 (p90) REVERT: D 383 HIS cc_start: 0.7855 (OUTLIER) cc_final: 0.7174 (t70) REVERT: D 424 LYS cc_start: 0.9400 (OUTLIER) cc_final: 0.9129 (ptpp) REVERT: D 626 LEU cc_start: 0.7073 (OUTLIER) cc_final: 0.6180 (mp) REVERT: D 659 TYR cc_start: 0.6622 (OUTLIER) cc_final: 0.6340 (t80) REVERT: D 700 GLU cc_start: 0.8491 (OUTLIER) cc_final: 0.7736 (mp0) REVERT: D 705 ASN cc_start: 0.7889 (m-40) cc_final: 0.6770 (m-40) REVERT: D 891 TRP cc_start: 0.4430 (m-90) cc_final: 0.4206 (m-90) REVERT: D 955 LEU cc_start: 0.2813 (OUTLIER) cc_final: 0.2176 (mt) REVERT: D 1137 GLU cc_start: 0.8774 (OUTLIER) cc_final: 0.8282 (mm-30) REVERT: D 1143 TRP cc_start: 0.9048 (OUTLIER) cc_final: 0.8599 (p90) REVERT: D 1167 GLU cc_start: 0.7837 (OUTLIER) cc_final: 0.7596 (pt0) REVERT: D 1202 LEU cc_start: 0.9562 (OUTLIER) cc_final: 0.9277 (tp) REVERT: D 1653 LEU cc_start: 0.9718 (OUTLIER) cc_final: 0.9504 (mp) REVERT: D 1734 TYR cc_start: 0.9243 (OUTLIER) cc_final: 0.8664 (m-80) REVERT: D 1958 LEU cc_start: 0.9244 (OUTLIER) cc_final: 0.9036 (tp) REVERT: D 2126 ARG cc_start: 0.9692 (OUTLIER) cc_final: 0.8905 (ttm-80) REVERT: D 2192 TYR cc_start: 0.8226 (OUTLIER) cc_final: 0.7256 (m-80) REVERT: D 2211 MET cc_start: 0.9181 (tmm) cc_final: 0.8907 (tmm) REVERT: D 2886 TRP cc_start: 0.8116 (OUTLIER) cc_final: 0.7649 (t-100) REVERT: D 4009 GLN cc_start: 0.8859 (OUTLIER) cc_final: 0.8216 (mt0) REVERT: D 4042 ARG cc_start: 0.8593 (OUTLIER) cc_final: 0.8327 (mtm-85) REVERT: D 4078 GLN cc_start: 0.9028 (OUTLIER) cc_final: 0.8745 (mp10) REVERT: D 4208 PRO cc_start: 0.8529 (OUTLIER) cc_final: 0.8292 (Cg_endo) REVERT: D 4232 GLU cc_start: 0.8883 (OUTLIER) cc_final: 0.8222 (tm-30) REVERT: D 4580 TYR cc_start: 0.8251 (OUTLIER) cc_final: 0.7086 (m-80) REVERT: D 4682 GLU cc_start: 0.9142 (tm-30) cc_final: 0.8923 (tm-30) REVERT: D 4771 ILE cc_start: 0.7989 (OUTLIER) cc_final: 0.7761 (mm) REVERT: D 4796 MET cc_start: 0.7955 (OUTLIER) cc_final: 0.7241 (tmm) REVERT: D 4800 LEU cc_start: 0.7989 (OUTLIER) cc_final: 0.7768 (mp) REVERT: D 4886 HIS cc_start: 0.8759 (OUTLIER) cc_final: 0.8059 (t-90) REVERT: D 4949 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.7849 (tm-30) REVERT: D 4954 MET cc_start: 0.8569 (tpp) cc_final: 0.8256 (tpp) REVERT: D 4961 CYS cc_start: 0.9350 (OUTLIER) cc_final: 0.6599 (t) REVERT: D 4997 ASN cc_start: 0.8979 (OUTLIER) cc_final: 0.8594 (t0) REVERT: D 5031 GLN cc_start: 0.9333 (OUTLIER) cc_final: 0.9076 (tt0) outliers start: 1659 outliers final: 999 residues processed: 2225 average time/residue: 0.9309 time to fit residues: 3757.8663 Evaluate side-chains 1780 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1137 poor density : 643 time to evaluate : 9.025 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 127 MET Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 202 MET 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 233 ILE Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 385 ASP Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 560 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 614 VAL Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 681 HIS 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 731 THR Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 959 TYR Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1733 GLU 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 1825 HIS Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2135 LEU Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2802 LYS Chi-restraints excluded: chain A residue 2804 ILE Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2813 LEU Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2904 LEU Chi-restraints excluded: chain A residue 2909 ASP Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 3667 HIS Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3704 HIS Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3750 GLU Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4039 MET Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4152 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 4201 ASN Chi-restraints excluded: chain A residue 4208 PRO Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4555 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 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4682 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4717 ASP Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4734 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4863 TYR Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR 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 4976 GLU Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 202 MET 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 233 ILE Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 385 ASP Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 560 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 614 VAL Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 681 HIS 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 731 THR Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 955 LEU Chi-restraints excluded: chain B residue 959 TYR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1130 GLN Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1733 GLU 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 1825 HIS Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2802 LYS Chi-restraints excluded: chain B residue 2804 ILE Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2886 TRP Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2904 LEU Chi-restraints excluded: chain B residue 2909 ASP Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3704 HIS Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3750 GLU Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3771 HIS Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4042 ARG Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4208 PRO Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4555 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 4636 THR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4717 ASP Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4823 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4833 ASN Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4899 ASP Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4976 GLU Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 211 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 233 ILE Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 385 ASP Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 560 ILE 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 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 681 HIS 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 731 THR Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 959 TYR Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1729 SER 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 1825 HIS Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2135 LEU Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2804 ILE Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2886 TRP Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2904 LEU Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3667 HIS Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3704 HIS Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3750 GLU Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4042 ARG Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4099 SER 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 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4208 PRO Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4555 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 4636 THR Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4717 ASP Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4796 MET Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4803 HIS Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4899 ASP Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU 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 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4976 GLU Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 127 MET Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 202 MET 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 233 ILE Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 331 VAL 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 383 HIS Chi-restraints excluded: chain D residue 385 ASP Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL 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 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 681 HIS 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 731 THR Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 955 LEU Chi-restraints excluded: chain D residue 959 TYR Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1118 ASP Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1729 SER 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 1825 HIS Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2135 LEU Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2804 ILE Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2886 TRP Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2909 ASP Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3667 HIS Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3704 HIS Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3750 GLU Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3771 HIS Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4042 ARG Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL 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 4089 SER Chi-restraints excluded: chain D residue 4099 SER 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 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4208 PRO Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4555 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 4636 THR Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4650 HIS Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4717 ASP Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4833 ASN Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4899 ASP Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR 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 4976 GLU Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5027 CYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 226 HIS ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN A 520 ASN ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1274 HIS A1688 HIS A1691 GLN ** A1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1953 HIS ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2204 HIS ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A2756 ASN ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3833 GLN A3882 GLN A3889 GLN ** A3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4153 HIS A4650 HIS ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4984 ASN ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 520 ASN ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1274 HIS B1688 HIS B1691 GLN ** B1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B1953 HIS ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2204 HIS B2260 ASN ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2756 ASN ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3833 GLN B3889 GLN ** B3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4153 HIS ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 226 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 489 ASN C 520 ASN ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 725 HIS ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1274 HIS ** C1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1688 HIS C1691 GLN ** C1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2204 HIS C2260 ASN ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2756 ASN ** C3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3833 GLN C3882 GLN C3889 GLN ** C3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4153 HIS ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 226 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 489 ASN D 520 ASN ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 725 HIS ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1274 HIS ** D1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1688 HIS ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2204 HIS D2260 ASN ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2756 ASN ** D3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3882 GLN D3889 GLN ** D3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4153 HIS ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4984 ASN Total number of N/Q/H flips: 51 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8469 moved from start: 0.8525 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.339 119272 Z= 3.603 Angle : 3.267 32.291 162652 Z= 1.655 Chirality : 0.156 0.783 19028 Planarity : 0.021 0.199 21412 Dihedral : 14.060 179.295 17622 Min Nonbonded Distance : 1.798 Molprobity Statistics. All-atom Clashscore : 87.55 Ramachandran Plot: Outliers : 3.12 % Allowed : 29.46 % Favored : 67.42 % Rotamer: Outliers : 25.36 % Allowed : 23.54 % Favored : 51.10 % Cbeta Deviations : 0.88 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 8.22 % Twisted General : 3.09 % 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: -6.74 (0.05), residues: 12804 helix: -4.14 (0.04), residues: 5764 sheet: -3.91 (0.12), residues: 1128 loop : -4.99 (0.06), residues: 5912 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.083 0.011 TRP A5011 HIS 0.050 0.008 HIS C3771 PHE 0.131 0.011 PHE D1238 TYR 0.094 0.011 TYR D 359 ARG 0.035 0.004 ARG B1797 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3181 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2549 poor density : 632 time to evaluate : 9.166 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: A 127 MET cc_start: 0.6776 (OUTLIER) cc_final: 0.5979 (mpp) REVERT: A 150 MET cc_start: 0.8323 (OUTLIER) cc_final: 0.6888 (mpp) REVERT: A 164 ARG cc_start: 0.8337 (OUTLIER) cc_final: 0.7230 (mtp180) REVERT: A 244 LEU cc_start: 0.8911 (OUTLIER) cc_final: 0.8620 (pt) REVERT: A 265 LEU cc_start: 0.8706 (OUTLIER) cc_final: 0.8480 (mm) REVERT: A 280 LEU cc_start: 0.8485 (OUTLIER) cc_final: 0.8008 (pp) REVERT: A 302 VAL cc_start: 0.9326 (OUTLIER) cc_final: 0.9102 (p) REVERT: A 359 TYR cc_start: 0.7667 (OUTLIER) cc_final: 0.6738 (p90) REVERT: A 474 ARG cc_start: 0.9494 (OUTLIER) cc_final: 0.9242 (ttp-170) REVERT: A 493 ARG cc_start: 0.9504 (OUTLIER) cc_final: 0.9289 (mpt-90) REVERT: A 502 HIS cc_start: 0.8977 (m-70) cc_final: 0.8776 (m-70) REVERT: A 510 GLU cc_start: 0.8636 (OUTLIER) cc_final: 0.8424 (pm20) REVERT: A 623 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7675 (mt-10) REVERT: A 626 LEU cc_start: 0.7474 (OUTLIER) cc_final: 0.6628 (mp) REVERT: A 632 LEU cc_start: 0.9189 (OUTLIER) cc_final: 0.8980 (mp) REVERT: A 674 PHE cc_start: 0.9380 (OUTLIER) cc_final: 0.9055 (t80) REVERT: A 771 PHE cc_start: 0.9589 (OUTLIER) cc_final: 0.9131 (p90) REVERT: A 774 ASP cc_start: 0.8748 (OUTLIER) cc_final: 0.8544 (p0) REVERT: A 796 ARG cc_start: 0.8005 (OUTLIER) cc_final: 0.6774 (ttp-110) REVERT: A 835 ARG cc_start: 0.8134 (OUTLIER) cc_final: 0.7916 (ptm160) REVERT: A 869 ARG cc_start: 0.6414 (OUTLIER) cc_final: 0.6055 (ptt-90) REVERT: A 965 TYR cc_start: 0.4049 (OUTLIER) cc_final: 0.3453 (t80) REVERT: A 1078 GLU cc_start: 0.9232 (OUTLIER) cc_final: 0.8691 (tp30) REVERT: A 1101 ARG cc_start: 0.9286 (OUTLIER) cc_final: 0.8947 (mtt180) REVERT: A 1137 GLU cc_start: 0.8878 (OUTLIER) cc_final: 0.8100 (mm-30) REVERT: A 1164 LEU cc_start: 0.9126 (OUTLIER) cc_final: 0.8793 (pt) REVERT: A 1202 LEU cc_start: 0.9553 (OUTLIER) cc_final: 0.9259 (tp) REVERT: A 1220 GLN cc_start: 0.8144 (mt0) cc_final: 0.7159 (mm-40) REVERT: A 1636 MET cc_start: 0.8624 (OUTLIER) cc_final: 0.7638 (ppp) REVERT: A 1691 GLN cc_start: 0.9468 (OUTLIER) cc_final: 0.9211 (tm-30) REVERT: A 1728 ARG cc_start: 0.9073 (OUTLIER) cc_final: 0.8043 (ttp80) REVERT: A 1734 TYR cc_start: 0.9177 (OUTLIER) cc_final: 0.8538 (m-80) REVERT: A 1797 ARG cc_start: 0.9012 (OUTLIER) cc_final: 0.7928 (mmm160) REVERT: A 1808 ARG cc_start: 0.9251 (OUTLIER) cc_final: 0.9005 (ttp-170) REVERT: A 1813 ARG cc_start: 0.9099 (OUTLIER) cc_final: 0.8613 (ttp80) REVERT: A 1956 GLU cc_start: 0.8371 (OUTLIER) cc_final: 0.8159 (pm20) REVERT: A 1996 ARG cc_start: 0.8734 (OUTLIER) cc_final: 0.8137 (ptm-80) REVERT: A 2192 TYR cc_start: 0.8474 (OUTLIER) cc_final: 0.7611 (m-80) REVERT: A 2364 PHE cc_start: 0.8773 (OUTLIER) cc_final: 0.7505 (m-10) REVERT: A 2368 LEU cc_start: 0.9077 (OUTLIER) cc_final: 0.8817 (mp) REVERT: A 2472 LEU cc_start: 0.9343 (OUTLIER) cc_final: 0.9100 (pp) REVERT: A 2790 MET cc_start: 0.3988 (ppp) cc_final: 0.3405 (mpp) REVERT: A 2805 TYR cc_start: 0.8192 (t80) cc_final: 0.7725 (t80) REVERT: A 2870 GLU cc_start: 0.5835 (OUTLIER) cc_final: 0.5466 (mm-30) REVERT: A 3670 GLU cc_start: 0.8588 (OUTLIER) cc_final: 0.7872 (mp0) REVERT: A 3694 LYS cc_start: 0.9127 (OUTLIER) cc_final: 0.8814 (mmmm) REVERT: A 3902 TYR cc_start: 0.9232 (OUTLIER) cc_final: 0.8926 (t80) REVERT: A 4009 GLN cc_start: 0.8908 (OUTLIER) cc_final: 0.8110 (mt0) REVERT: A 4095 LYS cc_start: 0.8469 (OUTLIER) cc_final: 0.8264 (mtmm) REVERT: A 4224 GLU cc_start: 0.9131 (OUTLIER) cc_final: 0.8085 (pp20) REVERT: A 4560 TYR cc_start: 0.9014 (m-80) cc_final: 0.8805 (m-80) REVERT: A 4580 TYR cc_start: 0.8474 (OUTLIER) cc_final: 0.6888 (m-80) REVERT: A 4768 LEU cc_start: 0.5475 (OUTLIER) cc_final: 0.5274 (pp) REVERT: A 4796 MET cc_start: 0.8094 (OUTLIER) cc_final: 0.7222 (tmm) REVERT: A 4860 ARG cc_start: 0.7344 (OUTLIER) cc_final: 0.7059 (mtp180) REVERT: A 4886 HIS cc_start: 0.8512 (OUTLIER) cc_final: 0.7735 (t-90) REVERT: A 4949 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.7595 (tp40) REVERT: A 4960 ILE cc_start: 0.9264 (OUTLIER) cc_final: 0.8868 (mm) REVERT: A 4961 CYS cc_start: 0.8844 (OUTLIER) cc_final: 0.4637 (t) REVERT: A 4978 HIS cc_start: 0.7570 (OUTLIER) cc_final: 0.6816 (t70) REVERT: A 4997 ASN cc_start: 0.8856 (OUTLIER) cc_final: 0.8634 (t0) REVERT: A 5006 GLN cc_start: 0.9211 (OUTLIER) cc_final: 0.8880 (mp10) REVERT: B 127 MET cc_start: 0.6741 (OUTLIER) cc_final: 0.5927 (mpp) REVERT: B 150 MET cc_start: 0.8369 (OUTLIER) cc_final: 0.8011 (mpp) REVERT: B 164 ARG cc_start: 0.8354 (OUTLIER) cc_final: 0.7239 (mtp180) REVERT: B 244 LEU cc_start: 0.9035 (OUTLIER) cc_final: 0.8753 (pt) REVERT: B 265 LEU cc_start: 0.8701 (OUTLIER) cc_final: 0.8460 (mm) REVERT: B 302 VAL cc_start: 0.9315 (OUTLIER) cc_final: 0.9086 (p) REVERT: B 359 TYR cc_start: 0.7659 (OUTLIER) cc_final: 0.6686 (p90) REVERT: B 474 ARG cc_start: 0.9495 (OUTLIER) cc_final: 0.9289 (ttp-170) REVERT: B 502 HIS cc_start: 0.8996 (m-70) cc_final: 0.8796 (m-70) REVERT: B 510 GLU cc_start: 0.8630 (OUTLIER) cc_final: 0.8410 (pm20) REVERT: B 632 LEU cc_start: 0.9270 (OUTLIER) cc_final: 0.9051 (mp) REVERT: B 674 PHE cc_start: 0.9380 (OUTLIER) cc_final: 0.9138 (t80) REVERT: B 771 PHE cc_start: 0.9585 (OUTLIER) cc_final: 0.9121 (p90) REVERT: B 774 ASP cc_start: 0.8700 (OUTLIER) cc_final: 0.8439 (p0) REVERT: B 796 ARG cc_start: 0.7985 (OUTLIER) cc_final: 0.6792 (ttp-110) REVERT: B 869 ARG cc_start: 0.6415 (OUTLIER) cc_final: 0.6082 (ptt-90) REVERT: B 960 MET cc_start: 0.3484 (mmm) cc_final: 0.3216 (mmm) REVERT: B 965 TYR cc_start: 0.4214 (OUTLIER) cc_final: 0.3624 (t80) REVERT: B 1078 GLU cc_start: 0.9203 (OUTLIER) cc_final: 0.8674 (tp30) REVERT: B 1101 ARG cc_start: 0.9296 (OUTLIER) cc_final: 0.8979 (mtt180) REVERT: B 1137 GLU cc_start: 0.8891 (OUTLIER) cc_final: 0.8088 (mm-30) REVERT: B 1202 LEU cc_start: 0.9566 (OUTLIER) cc_final: 0.9262 (tp) REVERT: B 1220 GLN cc_start: 0.8023 (mt0) cc_final: 0.6931 (mm-40) REVERT: B 1636 MET cc_start: 0.8601 (OUTLIER) cc_final: 0.7677 (ppp) REVERT: B 1653 LEU cc_start: 0.9743 (OUTLIER) cc_final: 0.9543 (mp) REVERT: B 1728 ARG cc_start: 0.9070 (OUTLIER) cc_final: 0.8120 (ttp80) REVERT: B 1734 TYR cc_start: 0.9174 (OUTLIER) cc_final: 0.8414 (m-10) REVERT: B 1797 ARG cc_start: 0.8992 (OUTLIER) cc_final: 0.7945 (mmm160) REVERT: B 1798 LEU cc_start: 0.8779 (OUTLIER) cc_final: 0.8434 (mp) REVERT: B 1808 ARG cc_start: 0.9240 (OUTLIER) cc_final: 0.9025 (ttp-170) REVERT: B 1813 ARG cc_start: 0.9114 (OUTLIER) cc_final: 0.8768 (ttp80) REVERT: B 1996 ARG cc_start: 0.8715 (OUTLIER) cc_final: 0.8278 (ptm-80) REVERT: B 2101 MET cc_start: 0.9085 (tmm) cc_final: 0.8884 (tmm) REVERT: B 2192 TYR cc_start: 0.8472 (OUTLIER) cc_final: 0.7511 (m-80) REVERT: B 2208 MET cc_start: 0.8591 (mmm) cc_final: 0.8389 (tpp) REVERT: B 2364 PHE cc_start: 0.8795 (OUTLIER) cc_final: 0.7575 (m-10) REVERT: B 2368 LEU cc_start: 0.9072 (OUTLIER) cc_final: 0.8796 (mp) REVERT: B 2472 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.9109 (pp) REVERT: B 2790 MET cc_start: 0.4180 (ppp) cc_final: 0.3586 (mpp) REVERT: B 2870 GLU cc_start: 0.5678 (OUTLIER) cc_final: 0.5308 (mm-30) REVERT: B 3670 GLU cc_start: 0.8601 (OUTLIER) cc_final: 0.7882 (mp0) REVERT: B 3902 TYR cc_start: 0.9212 (OUTLIER) cc_final: 0.8910 (t80) REVERT: B 3948 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8762 (mtpp) REVERT: B 4009 GLN cc_start: 0.8875 (OUTLIER) cc_final: 0.7965 (mt0) REVERT: B 4095 LYS cc_start: 0.8467 (OUTLIER) cc_final: 0.8203 (mtmm) REVERT: B 4224 GLU cc_start: 0.9103 (OUTLIER) cc_final: 0.8056 (pp20) REVERT: B 4560 TYR cc_start: 0.9005 (m-80) cc_final: 0.8715 (m-80) REVERT: B 4580 TYR cc_start: 0.8316 (OUTLIER) cc_final: 0.6954 (m-80) REVERT: B 4796 MET cc_start: 0.8073 (OUTLIER) cc_final: 0.7196 (tmm) REVERT: B 4886 HIS cc_start: 0.8546 (OUTLIER) cc_final: 0.7759 (t-90) REVERT: B 4909 TYR cc_start: 0.8244 (OUTLIER) cc_final: 0.7393 (m-80) REVERT: B 4949 GLN cc_start: 0.8505 (OUTLIER) cc_final: 0.7612 (tp40) REVERT: B 4951 LYS cc_start: 0.9125 (OUTLIER) cc_final: 0.8859 (ttpt) REVERT: B 4960 ILE cc_start: 0.9231 (OUTLIER) cc_final: 0.8817 (mm) REVERT: B 4961 CYS cc_start: 0.9324 (OUTLIER) cc_final: 0.5651 (t) REVERT: B 4997 ASN cc_start: 0.8867 (OUTLIER) cc_final: 0.8607 (t0) REVERT: C 127 MET cc_start: 0.6515 (OUTLIER) cc_final: 0.5762 (mpp) REVERT: C 150 MET cc_start: 0.8307 (OUTLIER) cc_final: 0.8020 (mpp) REVERT: C 164 ARG cc_start: 0.8312 (OUTLIER) cc_final: 0.7222 (mtp180) REVERT: C 230 CYS cc_start: 0.8436 (OUTLIER) cc_final: 0.8151 (m) REVERT: C 244 LEU cc_start: 0.9006 (OUTLIER) cc_final: 0.8718 (pt) REVERT: C 265 LEU cc_start: 0.8714 (OUTLIER) cc_final: 0.8468 (mm) REVERT: C 302 VAL cc_start: 0.9289 (OUTLIER) cc_final: 0.8995 (p) REVERT: C 358 THR cc_start: 0.6879 (OUTLIER) cc_final: 0.6371 (p) REVERT: C 359 TYR cc_start: 0.7719 (OUTLIER) cc_final: 0.6776 (p90) REVERT: C 484 LEU cc_start: 0.9151 (OUTLIER) cc_final: 0.8933 (mp) REVERT: C 493 ARG cc_start: 0.9496 (OUTLIER) cc_final: 0.9261 (mpt-90) REVERT: C 623 GLU cc_start: 0.7933 (OUTLIER) cc_final: 0.7615 (mt-10) REVERT: C 674 PHE cc_start: 0.9371 (OUTLIER) cc_final: 0.9035 (t80) REVERT: C 771 PHE cc_start: 0.9558 (OUTLIER) cc_final: 0.9167 (p90) REVERT: C 774 ASP cc_start: 0.8748 (OUTLIER) cc_final: 0.8534 (p0) REVERT: C 796 ARG cc_start: 0.7955 (OUTLIER) cc_final: 0.6989 (ttp-110) REVERT: C 835 ARG cc_start: 0.8101 (OUTLIER) cc_final: 0.7752 (ptm-80) REVERT: C 869 ARG cc_start: 0.6465 (OUTLIER) cc_final: 0.6112 (ptt-90) REVERT: C 965 TYR cc_start: 0.4269 (OUTLIER) cc_final: 0.3748 (t80) REVERT: C 1078 GLU cc_start: 0.9232 (OUTLIER) cc_final: 0.8626 (tp30) REVERT: C 1101 ARG cc_start: 0.9298 (OUTLIER) cc_final: 0.9022 (mtt180) REVERT: C 1137 GLU cc_start: 0.8891 (OUTLIER) cc_final: 0.8152 (mm-30) REVERT: C 1164 LEU cc_start: 0.9116 (OUTLIER) cc_final: 0.8697 (pt) REVERT: C 1202 LEU cc_start: 0.9547 (OUTLIER) cc_final: 0.9264 (tp) REVERT: C 1220 GLN cc_start: 0.7999 (mt0) cc_final: 0.6905 (mm-40) REVERT: C 1636 MET cc_start: 0.8614 (OUTLIER) cc_final: 0.7661 (ppp) REVERT: C 1728 ARG cc_start: 0.9061 (OUTLIER) cc_final: 0.8075 (ttp80) REVERT: C 1734 TYR cc_start: 0.9216 (OUTLIER) cc_final: 0.8556 (m-80) REVERT: C 1797 ARG cc_start: 0.9018 (OUTLIER) cc_final: 0.8037 (mmm160) REVERT: C 1798 LEU cc_start: 0.8785 (OUTLIER) cc_final: 0.8367 (mp) REVERT: C 1808 ARG cc_start: 0.9223 (OUTLIER) cc_final: 0.8999 (ttp-170) REVERT: C 1813 ARG cc_start: 0.9112 (OUTLIER) cc_final: 0.8520 (ttp80) REVERT: C 1958 LEU cc_start: 0.9313 (OUTLIER) cc_final: 0.9079 (tp) REVERT: C 1996 ARG cc_start: 0.8808 (OUTLIER) cc_final: 0.8285 (ptm-80) REVERT: C 2101 MET cc_start: 0.9097 (tmm) cc_final: 0.8880 (tmm) REVERT: C 2192 TYR cc_start: 0.8504 (OUTLIER) cc_final: 0.7653 (m-80) REVERT: C 2208 MET cc_start: 0.8872 (tpp) cc_final: 0.8529 (tpp) REVERT: C 2364 PHE cc_start: 0.8699 (OUTLIER) cc_final: 0.7386 (m-80) REVERT: C 2368 LEU cc_start: 0.9094 (OUTLIER) cc_final: 0.8830 (mp) REVERT: C 2457 LEU cc_start: 0.9427 (OUTLIER) cc_final: 0.9163 (tt) REVERT: C 2790 MET cc_start: 0.4150 (ppp) cc_final: 0.3547 (mpp) REVERT: C 2870 GLU cc_start: 0.5502 (OUTLIER) cc_final: 0.5129 (mm-30) REVERT: C 2888 ARG cc_start: 0.7192 (OUTLIER) cc_final: 0.6973 (tpt170) REVERT: C 2919 ASP cc_start: 0.4318 (OUTLIER) cc_final: 0.4059 (p0) REVERT: C 2935 TYR cc_start: 0.7081 (OUTLIER) cc_final: 0.5426 (t80) REVERT: C 3670 GLU cc_start: 0.8546 (OUTLIER) cc_final: 0.7783 (mp0) REVERT: C 3707 ARG cc_start: 0.9207 (OUTLIER) cc_final: 0.8724 (ttt90) REVERT: C 3948 LYS cc_start: 0.9077 (OUTLIER) cc_final: 0.8774 (mtpp) REVERT: C 4009 GLN cc_start: 0.8888 (OUTLIER) cc_final: 0.7935 (mt0) REVERT: C 4063 ASP cc_start: 0.9291 (OUTLIER) cc_final: 0.9089 (t70) REVERT: C 4224 GLU cc_start: 0.9088 (OUTLIER) cc_final: 0.7995 (pp20) REVERT: C 4560 TYR cc_start: 0.8996 (m-80) cc_final: 0.8752 (m-80) REVERT: C 4580 TYR cc_start: 0.8380 (OUTLIER) cc_final: 0.7066 (m-80) REVERT: C 4682 GLU cc_start: 0.9268 (OUTLIER) cc_final: 0.8992 (tm-30) REVERT: C 4796 MET cc_start: 0.8024 (OUTLIER) cc_final: 0.7208 (tmm) REVERT: C 4860 ARG cc_start: 0.7265 (OUTLIER) cc_final: 0.6929 (ptm160) REVERT: C 4886 HIS cc_start: 0.8515 (OUTLIER) cc_final: 0.7729 (t-90) REVERT: C 4949 GLN cc_start: 0.8491 (OUTLIER) cc_final: 0.7584 (tp40) REVERT: C 4951 LYS cc_start: 0.9129 (OUTLIER) cc_final: 0.8869 (tmmt) REVERT: C 4960 ILE cc_start: 0.9213 (OUTLIER) cc_final: 0.8780 (mm) REVERT: C 4961 CYS cc_start: 0.9330 (OUTLIER) cc_final: 0.5556 (t) REVERT: C 4997 ASN cc_start: 0.8882 (OUTLIER) cc_final: 0.8635 (t0) REVERT: C 5006 GLN cc_start: 0.9173 (OUTLIER) cc_final: 0.8857 (mp10) REVERT: D 127 MET cc_start: 0.6734 (OUTLIER) cc_final: 0.5975 (mpp) REVERT: D 164 ARG cc_start: 0.8242 (OUTLIER) cc_final: 0.7268 (mtp180) REVERT: D 244 LEU cc_start: 0.8978 (OUTLIER) cc_final: 0.8681 (pt) REVERT: D 265 LEU cc_start: 0.8691 (OUTLIER) cc_final: 0.8441 (mm) REVERT: D 302 VAL cc_start: 0.9271 (OUTLIER) cc_final: 0.8949 (p) REVERT: D 358 THR cc_start: 0.6872 (OUTLIER) cc_final: 0.6410 (p) REVERT: D 359 TYR cc_start: 0.7698 (OUTLIER) cc_final: 0.6735 (p90) REVERT: D 484 LEU cc_start: 0.9129 (OUTLIER) cc_final: 0.8888 (mp) REVERT: D 493 ARG cc_start: 0.9524 (OUTLIER) cc_final: 0.9252 (mpt-90) REVERT: D 502 HIS cc_start: 0.9019 (m-70) cc_final: 0.8815 (m-70) REVERT: D 509 GLU cc_start: 0.8794 (pm20) cc_final: 0.8528 (mp0) REVERT: D 661 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.7991 (mmmt) REVERT: D 674 PHE cc_start: 0.9383 (OUTLIER) cc_final: 0.9144 (t80) REVERT: D 771 PHE cc_start: 0.9585 (OUTLIER) cc_final: 0.9165 (p90) REVERT: D 774 ASP cc_start: 0.8716 (OUTLIER) cc_final: 0.8487 (p0) REVERT: D 796 ARG cc_start: 0.7960 (OUTLIER) cc_final: 0.6918 (ttp-110) REVERT: D 835 ARG cc_start: 0.8122 (OUTLIER) cc_final: 0.7758 (ptm-80) REVERT: D 869 ARG cc_start: 0.6396 (OUTLIER) cc_final: 0.6094 (ptt-90) REVERT: D 965 TYR cc_start: 0.4268 (OUTLIER) cc_final: 0.3681 (t80) REVERT: D 1137 GLU cc_start: 0.8907 (OUTLIER) cc_final: 0.8173 (mm-30) REVERT: D 1164 LEU cc_start: 0.9093 (OUTLIER) cc_final: 0.8685 (pt) REVERT: D 1202 LEU cc_start: 0.9555 (OUTLIER) cc_final: 0.9252 (tp) REVERT: D 1220 GLN cc_start: 0.8155 (mt0) cc_final: 0.7222 (mm-40) REVERT: D 1636 MET cc_start: 0.8621 (OUTLIER) cc_final: 0.7776 (ppp) REVERT: D 1728 ARG cc_start: 0.9069 (OUTLIER) cc_final: 0.8119 (ttp80) REVERT: D 1734 TYR cc_start: 0.9199 (OUTLIER) cc_final: 0.8431 (m-10) REVERT: D 1797 ARG cc_start: 0.9026 (OUTLIER) cc_final: 0.8016 (mmm160) REVERT: D 1798 LEU cc_start: 0.8782 (OUTLIER) cc_final: 0.8346 (mp) REVERT: D 1808 ARG cc_start: 0.9232 (OUTLIER) cc_final: 0.8927 (ttp-170) REVERT: D 1813 ARG cc_start: 0.9113 (OUTLIER) cc_final: 0.8488 (ttp80) REVERT: D 1958 LEU cc_start: 0.9307 (OUTLIER) cc_final: 0.9074 (tp) REVERT: D 1996 ARG cc_start: 0.8837 (OUTLIER) cc_final: 0.8335 (ptm-80) REVERT: D 2101 MET cc_start: 0.9094 (tmm) cc_final: 0.8884 (tmm) REVERT: D 2192 TYR cc_start: 0.8515 (OUTLIER) cc_final: 0.7673 (m-80) REVERT: D 2208 MET cc_start: 0.8875 (tpp) cc_final: 0.8513 (tpp) REVERT: D 2223 ILE cc_start: 0.7835 (OUTLIER) cc_final: 0.7448 (mm) REVERT: D 2313 LEU cc_start: 0.9109 (OUTLIER) cc_final: 0.8855 (tp) REVERT: D 2364 PHE cc_start: 0.8713 (OUTLIER) cc_final: 0.7392 (m-80) REVERT: D 2368 LEU cc_start: 0.9135 (OUTLIER) cc_final: 0.8886 (mp) REVERT: D 2457 LEU cc_start: 0.9398 (OUTLIER) cc_final: 0.9118 (tt) REVERT: D 2790 MET cc_start: 0.4116 (ppp) cc_final: 0.3472 (mpp) REVERT: D 2803 GLU cc_start: 0.6622 (mm-30) cc_final: 0.6262 (mt-10) REVERT: D 2870 GLU cc_start: 0.5505 (OUTLIER) cc_final: 0.5111 (mm-30) REVERT: D 2888 ARG cc_start: 0.7010 (OUTLIER) cc_final: 0.6662 (tpt170) REVERT: D 2919 ASP cc_start: 0.4096 (OUTLIER) cc_final: 0.3877 (p0) REVERT: D 2935 TYR cc_start: 0.7011 (OUTLIER) cc_final: 0.5193 (t80) REVERT: D 3670 GLU cc_start: 0.8556 (OUTLIER) cc_final: 0.7821 (mp0) REVERT: D 3707 ARG cc_start: 0.9207 (OUTLIER) cc_final: 0.8701 (ttt90) REVERT: D 3948 LYS cc_start: 0.9079 (OUTLIER) cc_final: 0.8783 (mtpp) REVERT: D 4009 GLN cc_start: 0.8908 (OUTLIER) cc_final: 0.7864 (mt0) REVERT: D 4042 ARG cc_start: 0.8540 (OUTLIER) cc_final: 0.8314 (mtm-85) REVERT: D 4063 ASP cc_start: 0.9271 (OUTLIER) cc_final: 0.9056 (t70) REVERT: D 4224 GLU cc_start: 0.9081 (OUTLIER) cc_final: 0.7951 (pp20) REVERT: D 4580 TYR cc_start: 0.8311 (OUTLIER) cc_final: 0.7062 (m-80) REVERT: D 4682 GLU cc_start: 0.9218 (OUTLIER) cc_final: 0.9005 (tm-30) REVERT: D 4771 ILE cc_start: 0.7863 (OUTLIER) cc_final: 0.7659 (mm) REVERT: D 4796 MET cc_start: 0.7982 (OUTLIER) cc_final: 0.7165 (tmm) REVERT: D 4821 LYS cc_start: 0.9068 (OUTLIER) cc_final: 0.8827 (mmmt) REVERT: D 4850 LEU cc_start: 0.9079 (OUTLIER) cc_final: 0.8831 (mm) REVERT: D 4860 ARG cc_start: 0.7405 (OUTLIER) cc_final: 0.7115 (mtp180) REVERT: D 4886 HIS cc_start: 0.8558 (OUTLIER) cc_final: 0.7864 (t-90) REVERT: D 4949 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.7613 (tp40) REVERT: D 4951 LYS cc_start: 0.9129 (OUTLIER) cc_final: 0.8855 (tmmt) REVERT: D 4960 ILE cc_start: 0.9235 (OUTLIER) cc_final: 0.8789 (mm) REVERT: D 4961 CYS cc_start: 0.9329 (OUTLIER) cc_final: 0.5599 (t) REVERT: D 4997 ASN cc_start: 0.8875 (OUTLIER) cc_final: 0.8615 (t0) REVERT: D 5006 GLN cc_start: 0.9188 (OUTLIER) cc_final: 0.8860 (mp10) outliers start: 2549 outliers final: 1705 residues processed: 3028 average time/residue: 0.8856 time to fit residues: 4817.5913 Evaluate side-chains 2540 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1929 poor density : 611 time to evaluate : 9.066 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 60 PRO 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 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 127 MET Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 202 MET Chi-restraints excluded: chain A residue 210 GLU 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 224 HIS Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 287 THR 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 313 SER Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 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 371 VAL Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 474 ARG Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 632 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 712 TYR Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1115 LEU Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1691 GLN Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2359 ARG Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2802 LYS Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2812 SER Chi-restraints excluded: chain A residue 2870 GLU Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2904 LEU Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3667 HIS Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER 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 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR 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 3902 TYR 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 3921 ASP Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4039 MET 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4680 LYS Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4717 ASP Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU 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 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 60 PRO Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET 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 224 HIS Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR 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 313 SER Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 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 371 VAL Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS 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 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1028 ASP Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1115 LEU Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1653 LEU 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 1686 CYS Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2801 ASP Chi-restraints excluded: chain B residue 2802 LYS Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2812 SER Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2870 GLU Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2904 LEU Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3701 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER 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 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3921 ASP Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4702 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4717 ASP Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4833 ASN Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4899 ASP Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 46 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 60 PRO Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 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 224 HIS Chi-restraints excluded: chain C residue 230 CYS Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR 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 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 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 371 VAL Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 712 TYR Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 929 LEU Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1115 LEU Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1130 GLN Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 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 1686 CYS Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1747 LEU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1800 PRO Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2359 ARG Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2787 THR Chi-restraints excluded: chain C residue 2801 ASP Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2812 SER Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2870 GLU Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2904 LEU Chi-restraints excluded: chain C residue 2919 ASP Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3667 HIS Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3701 LEU Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3889 GLN 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 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4070 ASP 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 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4091 LYS 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 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4555 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4579 PHE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4702 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4717 ASP Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain C residue 4815 ASP Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4823 LEU Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4860 ARG Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 46 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 127 MET Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 210 GLU 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 224 HIS Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 287 THR 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 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 371 VAL Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 484 LEU Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU 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 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 859 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1115 LEU Chi-restraints excluded: chain D residue 1118 ASP Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1130 GLN Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1647 CYS 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1800 PRO Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2870 GLU Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2919 ASP Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3667 HIS Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3701 LEU Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER 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 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3889 GLN 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 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3970 GLN 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 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4042 ARG Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4070 ASP 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 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4091 LYS 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 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4555 LEU Chi-restraints excluded: chain D residue 4565 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 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4680 LYS Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4717 ASP Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4823 LEU Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4833 ASN Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5006 GLN Chi-restraints excluded: chain D residue 5034 ASP Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 520 ASN ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 889 GLN ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2187 ASN ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2260 ASN ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 520 ASN ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 889 GLN ** B 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2125 HIS B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3889 GLN ** B3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4650 HIS ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4984 ASN ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 226 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 520 ASN ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 889 GLN ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 974 HIS ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2184 ASN C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3889 GLN ** C3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4650 HIS ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4984 ASN ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 520 ASN ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 889 GLN ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1691 GLN ** D1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3889 GLN ** D3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4650 HIS ** D4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8490 moved from start: 0.9175 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.343 119272 Z= 3.632 Angle : 3.287 35.564 162652 Z= 1.659 Chirality : 0.157 0.882 19028 Planarity : 0.020 0.178 21412 Dihedral : 14.365 178.870 17620 Min Nonbonded Distance : 1.720 Molprobity Statistics. All-atom Clashscore : 90.61 Ramachandran Plot: Outliers : 2.73 % Allowed : 32.96 % Favored : 64.32 % Rotamer: Outliers : 28.46 % Allowed : 24.29 % Favored : 47.24 % Cbeta Deviations : 0.93 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 9.21 % Twisted General : 3.26 % 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: -7.05 (0.05), residues: 12804 helix: -4.27 (0.04), residues: 5756 sheet: -4.24 (0.12), residues: 1076 loop : -5.26 (0.05), residues: 5972 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.095 0.012 TRP A3661 HIS 0.055 0.007 HIS B3771 PHE 0.135 0.011 PHE D1238 TYR 0.080 0.010 TYR B 359 ARG 0.038 0.003 ARG A2869 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3490 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2861 poor density : 629 time to evaluate : 9.390 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: A 124 SER cc_start: 0.8784 (OUTLIER) cc_final: 0.8401 (m) REVERT: A 139 GLU cc_start: 0.8526 (OUTLIER) cc_final: 0.8242 (tp30) REVERT: A 150 MET cc_start: 0.8307 (OUTLIER) cc_final: 0.6904 (mpp) REVERT: A 164 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7272 (mtp180) REVERT: A 244 LEU cc_start: 0.9029 (OUTLIER) cc_final: 0.8763 (pt) REVERT: A 265 LEU cc_start: 0.8813 (OUTLIER) cc_final: 0.8545 (mm) REVERT: A 302 VAL cc_start: 0.9258 (t) cc_final: 0.8946 (p) REVERT: A 317 ARG cc_start: 0.8684 (OUTLIER) cc_final: 0.8263 (mtt90) REVERT: A 358 THR cc_start: 0.7826 (OUTLIER) cc_final: 0.7503 (p) REVERT: A 359 TYR cc_start: 0.7328 (OUTLIER) cc_final: 0.6616 (p90) REVERT: A 383 HIS cc_start: 0.8295 (OUTLIER) cc_final: 0.7775 (t70) REVERT: A 543 ASN cc_start: 0.9142 (OUTLIER) cc_final: 0.8938 (m-40) REVERT: A 545 ASP cc_start: 0.8795 (OUTLIER) cc_final: 0.8500 (m-30) REVERT: A 616 SER cc_start: 0.9345 (OUTLIER) cc_final: 0.9120 (t) REVERT: A 623 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7530 (mt-10) REVERT: A 629 ARG cc_start: 0.9181 (OUTLIER) cc_final: 0.8842 (mtt90) REVERT: A 661 LYS cc_start: 0.8414 (OUTLIER) cc_final: 0.8193 (mmmt) REVERT: A 758 ARG cc_start: 0.8203 (OUTLIER) cc_final: 0.7772 (mmm-85) REVERT: A 788 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8598 (tmmt) REVERT: A 812 HIS cc_start: 0.6457 (OUTLIER) cc_final: 0.6008 (t-170) REVERT: A 813 GLU cc_start: 0.6582 (OUTLIER) cc_final: 0.4986 (tm-30) REVERT: A 869 ARG cc_start: 0.6712 (OUTLIER) cc_final: 0.5868 (mtm180) REVERT: A 965 TYR cc_start: 0.3599 (OUTLIER) cc_final: 0.3172 (t80) REVERT: A 1036 ARG cc_start: 0.8923 (OUTLIER) cc_final: 0.8496 (ttm110) REVERT: A 1078 GLU cc_start: 0.9160 (OUTLIER) cc_final: 0.8565 (tp30) REVERT: A 1101 ARG cc_start: 0.9324 (OUTLIER) cc_final: 0.8876 (mtt180) REVERT: A 1137 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8289 (mm-30) REVERT: A 1164 LEU cc_start: 0.9152 (OUTLIER) cc_final: 0.8852 (pt) REVERT: A 1202 LEU cc_start: 0.9589 (OUTLIER) cc_final: 0.9302 (tp) REVERT: A 1211 LEU cc_start: 0.9197 (OUTLIER) cc_final: 0.8985 (tt) REVERT: A 1221 GLU cc_start: 0.8555 (OUTLIER) cc_final: 0.8304 (mp0) REVERT: A 1636 MET cc_start: 0.8648 (OUTLIER) cc_final: 0.7615 (ppp) REVERT: A 1646 ARG cc_start: 0.8930 (OUTLIER) cc_final: 0.8082 (ttp-170) REVERT: A 1691 GLN cc_start: 0.9420 (OUTLIER) cc_final: 0.9017 (tm-30) REVERT: A 1728 ARG cc_start: 0.9057 (OUTLIER) cc_final: 0.8266 (ttp80) REVERT: A 1734 TYR cc_start: 0.9172 (OUTLIER) cc_final: 0.8459 (m-10) REVERT: A 1772 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8333 (mpt-90) REVERT: A 1797 ARG cc_start: 0.9139 (OUTLIER) cc_final: 0.8090 (mmm160) REVERT: A 1958 LEU cc_start: 0.9333 (OUTLIER) cc_final: 0.9114 (tp) REVERT: A 1977 TYR cc_start: 0.8427 (OUTLIER) cc_final: 0.8148 (t80) REVERT: A 1996 ARG cc_start: 0.8708 (OUTLIER) cc_final: 0.7979 (ptm-80) REVERT: A 2192 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7484 (m-80) REVERT: A 2196 ASN cc_start: 0.9399 (OUTLIER) cc_final: 0.9166 (m-40) REVERT: A 2203 MET cc_start: 0.8843 (OUTLIER) cc_final: 0.8631 (mtp) REVERT: A 2211 MET cc_start: 0.9127 (tmm) cc_final: 0.8857 (tmm) REVERT: A 2364 PHE cc_start: 0.8778 (OUTLIER) cc_final: 0.7552 (m-10) REVERT: A 2368 LEU cc_start: 0.9153 (OUTLIER) cc_final: 0.8924 (mp) REVERT: A 2447 LYS cc_start: 0.8380 (OUTLIER) cc_final: 0.7207 (tppp) REVERT: A 2457 LEU cc_start: 0.9453 (OUTLIER) cc_final: 0.9229 (tt) REVERT: A 2472 LEU cc_start: 0.9382 (OUTLIER) cc_final: 0.9081 (pp) REVERT: A 2800 LYS cc_start: 0.4532 (OUTLIER) cc_final: 0.3886 (tmtt) REVERT: A 2805 TYR cc_start: 0.8213 (t80) cc_final: 0.7786 (t80) REVERT: A 2920 ARG cc_start: 0.4918 (OUTLIER) cc_final: 0.1217 (ptp-110) REVERT: A 3670 GLU cc_start: 0.8563 (OUTLIER) cc_final: 0.7834 (mp0) REVERT: A 3694 LYS cc_start: 0.9142 (OUTLIER) cc_final: 0.8864 (mmmm) REVERT: A 3756 LYS cc_start: 0.8562 (OUTLIER) cc_final: 0.8260 (mtmm) REVERT: A 3771 HIS cc_start: 0.6676 (OUTLIER) cc_final: 0.6272 (t70) REVERT: A 3902 TYR cc_start: 0.9240 (OUTLIER) cc_final: 0.8880 (t80) REVERT: A 4009 GLN cc_start: 0.8961 (OUTLIER) cc_final: 0.8217 (mt0) REVERT: A 4172 GLU cc_start: 0.8944 (OUTLIER) cc_final: 0.8656 (mm-30) REVERT: A 4224 GLU cc_start: 0.9152 (OUTLIER) cc_final: 0.8069 (pp20) REVERT: A 4580 TYR cc_start: 0.8525 (OUTLIER) cc_final: 0.7283 (m-80) REVERT: A 4796 MET cc_start: 0.8062 (OUTLIER) cc_final: 0.7201 (tmm) REVERT: A 4821 LYS cc_start: 0.8943 (OUTLIER) cc_final: 0.8651 (mmmt) REVERT: A 4886 HIS cc_start: 0.8555 (OUTLIER) cc_final: 0.7770 (t-90) REVERT: A 4949 GLN cc_start: 0.8441 (OUTLIER) cc_final: 0.7620 (tp40) REVERT: A 4960 ILE cc_start: 0.9196 (OUTLIER) cc_final: 0.8793 (mm) REVERT: A 4961 CYS cc_start: 0.8842 (OUTLIER) cc_final: 0.4028 (t) REVERT: A 4978 HIS cc_start: 0.7793 (OUTLIER) cc_final: 0.7159 (t70) REVERT: A 4997 ASN cc_start: 0.8863 (OUTLIER) cc_final: 0.8536 (t0) REVERT: A 5006 GLN cc_start: 0.9193 (OUTLIER) cc_final: 0.8905 (mp10) REVERT: B 124 SER cc_start: 0.8817 (OUTLIER) cc_final: 0.8451 (m) REVERT: B 139 GLU cc_start: 0.8547 (OUTLIER) cc_final: 0.8268 (tp30) REVERT: B 164 ARG cc_start: 0.8279 (OUTLIER) cc_final: 0.7287 (mtp180) REVERT: B 244 LEU cc_start: 0.9013 (OUTLIER) cc_final: 0.8740 (pt) REVERT: B 265 LEU cc_start: 0.8792 (OUTLIER) cc_final: 0.8499 (mm) REVERT: B 302 VAL cc_start: 0.9259 (t) cc_final: 0.8954 (p) REVERT: B 358 THR cc_start: 0.7820 (OUTLIER) cc_final: 0.7482 (p) REVERT: B 359 TYR cc_start: 0.7335 (OUTLIER) cc_final: 0.6611 (p90) REVERT: B 383 HIS cc_start: 0.8262 (OUTLIER) cc_final: 0.7742 (t70) REVERT: B 543 ASN cc_start: 0.9145 (OUTLIER) cc_final: 0.8931 (m-40) REVERT: B 545 ASP cc_start: 0.8801 (OUTLIER) cc_final: 0.8460 (m-30) REVERT: B 616 SER cc_start: 0.9346 (OUTLIER) cc_final: 0.9110 (t) REVERT: B 629 ARG cc_start: 0.9150 (OUTLIER) cc_final: 0.8906 (mtt90) REVERT: B 632 LEU cc_start: 0.9147 (OUTLIER) cc_final: 0.8919 (mp) REVERT: B 758 ARG cc_start: 0.8177 (OUTLIER) cc_final: 0.7703 (mmm-85) REVERT: B 813 GLU cc_start: 0.6303 (OUTLIER) cc_final: 0.4839 (tm-30) REVERT: B 869 ARG cc_start: 0.6700 (OUTLIER) cc_final: 0.5900 (mtm180) REVERT: B 965 TYR cc_start: 0.3689 (OUTLIER) cc_final: 0.3156 (t80) REVERT: B 1036 ARG cc_start: 0.8904 (OUTLIER) cc_final: 0.8476 (ttm110) REVERT: B 1101 ARG cc_start: 0.9312 (OUTLIER) cc_final: 0.8888 (mtt180) REVERT: B 1137 GLU cc_start: 0.8906 (OUTLIER) cc_final: 0.8281 (mm-30) REVERT: B 1164 LEU cc_start: 0.9168 (OUTLIER) cc_final: 0.8794 (pt) REVERT: B 1202 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9293 (tp) REVERT: B 1211 LEU cc_start: 0.9198 (OUTLIER) cc_final: 0.8986 (tt) REVERT: B 1221 GLU cc_start: 0.8640 (OUTLIER) cc_final: 0.8396 (mp0) REVERT: B 1230 MET cc_start: 0.8753 (OUTLIER) cc_final: 0.8355 (mtt) REVERT: B 1636 MET cc_start: 0.8637 (OUTLIER) cc_final: 0.7663 (ppp) REVERT: B 1646 ARG cc_start: 0.8953 (OUTLIER) cc_final: 0.8169 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9769 (OUTLIER) cc_final: 0.9562 (mp) REVERT: B 1728 ARG cc_start: 0.9054 (OUTLIER) cc_final: 0.8049 (ttp80) REVERT: B 1734 TYR cc_start: 0.9201 (OUTLIER) cc_final: 0.8437 (m-10) REVERT: B 1772 ARG cc_start: 0.8925 (OUTLIER) cc_final: 0.8280 (mpt-90) REVERT: B 1797 ARG cc_start: 0.9067 (OUTLIER) cc_final: 0.8189 (mmm160) REVERT: B 1798 LEU cc_start: 0.8725 (OUTLIER) cc_final: 0.8514 (mp) REVERT: B 1813 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8623 (ttp80) REVERT: B 1956 GLU cc_start: 0.8411 (OUTLIER) cc_final: 0.8196 (pm20) REVERT: B 1958 LEU cc_start: 0.9325 (OUTLIER) cc_final: 0.9099 (tp) REVERT: B 1977 TYR cc_start: 0.8411 (OUTLIER) cc_final: 0.8161 (t80) REVERT: B 1996 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.7950 (ptm-80) REVERT: B 2101 MET cc_start: 0.9107 (tmm) cc_final: 0.8897 (tmm) REVERT: B 2188 ASN cc_start: 0.9140 (OUTLIER) cc_final: 0.8652 (t0) REVERT: B 2192 TYR cc_start: 0.8535 (OUTLIER) cc_final: 0.7557 (m-80) REVERT: B 2196 ASN cc_start: 0.9428 (OUTLIER) cc_final: 0.9204 (m-40) REVERT: B 2364 PHE cc_start: 0.8786 (OUTLIER) cc_final: 0.7612 (m-10) REVERT: B 2368 LEU cc_start: 0.9077 (OUTLIER) cc_final: 0.8836 (mp) REVERT: B 2457 LEU cc_start: 0.9392 (OUTLIER) cc_final: 0.9182 (tt) REVERT: B 2472 LEU cc_start: 0.9372 (OUTLIER) cc_final: 0.9080 (pp) REVERT: B 2800 LYS cc_start: 0.5013 (OUTLIER) cc_final: 0.4392 (tmtt) REVERT: B 2803 GLU cc_start: 0.7646 (OUTLIER) cc_final: 0.7400 (mm-30) REVERT: B 2805 TYR cc_start: 0.7691 (t80) cc_final: 0.7274 (t80) REVERT: B 2889 LYS cc_start: 0.8662 (OUTLIER) cc_final: 0.8399 (tptm) REVERT: B 2915 GLU cc_start: 0.7317 (OUTLIER) cc_final: 0.5961 (tp30) REVERT: B 2920 ARG cc_start: 0.5567 (OUTLIER) cc_final: 0.2017 (ptp-110) REVERT: B 3670 GLU cc_start: 0.8570 (OUTLIER) cc_final: 0.7864 (mp0) REVERT: B 3694 LYS cc_start: 0.9123 (OUTLIER) cc_final: 0.8845 (mmmm) REVERT: B 3756 LYS cc_start: 0.8585 (OUTLIER) cc_final: 0.8271 (mtmm) REVERT: B 3771 HIS cc_start: 0.6710 (OUTLIER) cc_final: 0.6305 (t70) REVERT: B 3902 TYR cc_start: 0.9229 (OUTLIER) cc_final: 0.8878 (t80) REVERT: B 4009 GLN cc_start: 0.8962 (OUTLIER) cc_final: 0.8209 (mt0) REVERT: B 4224 GLU cc_start: 0.9134 (OUTLIER) cc_final: 0.8033 (pp20) REVERT: B 4560 TYR cc_start: 0.9029 (m-80) cc_final: 0.8741 (m-80) REVERT: B 4580 TYR cc_start: 0.8544 (OUTLIER) cc_final: 0.7381 (m-80) REVERT: B 4796 MET cc_start: 0.8058 (OUTLIER) cc_final: 0.7211 (tmm) REVERT: B 4821 LYS cc_start: 0.8938 (OUTLIER) cc_final: 0.8668 (mmmt) REVERT: B 4886 HIS cc_start: 0.8506 (OUTLIER) cc_final: 0.7771 (t-90) REVERT: B 4909 TYR cc_start: 0.8282 (OUTLIER) cc_final: 0.7410 (m-80) REVERT: B 4949 GLN cc_start: 0.8466 (OUTLIER) cc_final: 0.7672 (tp40) REVERT: B 4960 ILE cc_start: 0.9207 (OUTLIER) cc_final: 0.8809 (mm) REVERT: B 4961 CYS cc_start: 0.9317 (OUTLIER) cc_final: 0.5475 (t) REVERT: B 4978 HIS cc_start: 0.7924 (OUTLIER) cc_final: 0.7465 (t70) REVERT: B 4997 ASN cc_start: 0.8893 (OUTLIER) cc_final: 0.8537 (t0) REVERT: B 5006 GLN cc_start: 0.9188 (OUTLIER) cc_final: 0.8896 (mp10) REVERT: C 139 GLU cc_start: 0.8531 (OUTLIER) cc_final: 0.8237 (tp30) REVERT: C 164 ARG cc_start: 0.8251 (OUTLIER) cc_final: 0.7271 (mtp180) REVERT: C 244 LEU cc_start: 0.9002 (OUTLIER) cc_final: 0.8711 (pt) REVERT: C 257 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7430 (mtt180) REVERT: C 265 LEU cc_start: 0.8735 (OUTLIER) cc_final: 0.8454 (mm) REVERT: C 302 VAL cc_start: 0.9271 (OUTLIER) cc_final: 0.8951 (p) REVERT: C 358 THR cc_start: 0.7583 (OUTLIER) cc_final: 0.7055 (p) REVERT: C 359 TYR cc_start: 0.7419 (OUTLIER) cc_final: 0.6778 (p90) REVERT: C 545 ASP cc_start: 0.8747 (OUTLIER) cc_final: 0.8428 (m-30) REVERT: C 616 SER cc_start: 0.9353 (OUTLIER) cc_final: 0.9130 (t) REVERT: C 623 GLU cc_start: 0.7962 (OUTLIER) cc_final: 0.7593 (mt-10) REVERT: C 629 ARG cc_start: 0.9162 (OUTLIER) cc_final: 0.8960 (mtt90) REVERT: C 758 ARG cc_start: 0.8180 (OUTLIER) cc_final: 0.7580 (mtm-85) REVERT: C 812 HIS cc_start: 0.6407 (OUTLIER) cc_final: 0.6007 (t-170) REVERT: C 813 GLU cc_start: 0.6450 (OUTLIER) cc_final: 0.4860 (tm-30) REVERT: C 869 ARG cc_start: 0.6771 (OUTLIER) cc_final: 0.5994 (mtm180) REVERT: C 938 HIS cc_start: 0.7084 (m-70) cc_final: 0.6593 (m-70) REVERT: C 965 TYR cc_start: 0.3704 (OUTLIER) cc_final: 0.3243 (t80) REVERT: C 1036 ARG cc_start: 0.8921 (OUTLIER) cc_final: 0.8494 (ttm110) REVERT: C 1052 ASN cc_start: 0.6345 (OUTLIER) cc_final: 0.6144 (p0) REVERT: C 1078 GLU cc_start: 0.9244 (OUTLIER) cc_final: 0.8704 (tp30) REVERT: C 1101 ARG cc_start: 0.9300 (OUTLIER) cc_final: 0.8888 (mtt180) REVERT: C 1137 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8267 (mm-30) REVERT: C 1164 LEU cc_start: 0.9175 (OUTLIER) cc_final: 0.8777 (pt) REVERT: C 1202 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9293 (tp) REVERT: C 1211 LEU cc_start: 0.9211 (OUTLIER) cc_final: 0.9004 (tt) REVERT: C 1221 GLU cc_start: 0.8633 (OUTLIER) cc_final: 0.8399 (mp0) REVERT: C 1230 MET cc_start: 0.8741 (OUTLIER) cc_final: 0.8261 (mtt) REVERT: C 1636 MET cc_start: 0.8656 (OUTLIER) cc_final: 0.7649 (ppp) REVERT: C 1646 ARG cc_start: 0.8902 (OUTLIER) cc_final: 0.8210 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9050 (OUTLIER) cc_final: 0.8081 (ttp80) REVERT: C 1734 TYR cc_start: 0.9219 (OUTLIER) cc_final: 0.8559 (m-80) REVERT: C 1797 ARG cc_start: 0.9081 (OUTLIER) cc_final: 0.8196 (mmm160) REVERT: C 1798 LEU cc_start: 0.8737 (OUTLIER) cc_final: 0.8500 (mp) REVERT: C 1813 ARG cc_start: 0.9119 (OUTLIER) cc_final: 0.8512 (ttp80) REVERT: C 1956 GLU cc_start: 0.8421 (OUTLIER) cc_final: 0.8197 (pm20) REVERT: C 1958 LEU cc_start: 0.9309 (OUTLIER) cc_final: 0.9083 (tp) REVERT: C 1996 ARG cc_start: 0.8683 (OUTLIER) cc_final: 0.8036 (ptm-80) REVERT: C 2101 MET cc_start: 0.9089 (tmm) cc_final: 0.8877 (tmm) REVERT: C 2188 ASN cc_start: 0.9234 (OUTLIER) cc_final: 0.8746 (t0) REVERT: C 2192 TYR cc_start: 0.8577 (OUTLIER) cc_final: 0.7545 (m-80) REVERT: C 2208 MET cc_start: 0.8874 (tpp) cc_final: 0.8412 (tpp) REVERT: C 2211 MET cc_start: 0.9058 (tmm) cc_final: 0.8772 (tmm) REVERT: C 2223 ILE cc_start: 0.8373 (OUTLIER) cc_final: 0.8147 (mm) REVERT: C 2364 PHE cc_start: 0.8757 (OUTLIER) cc_final: 0.7429 (m-80) REVERT: C 2368 LEU cc_start: 0.9082 (OUTLIER) cc_final: 0.8838 (mp) REVERT: C 2800 LYS cc_start: 0.4730 (OUTLIER) cc_final: 0.3878 (ptmm) REVERT: C 2805 TYR cc_start: 0.7679 (t80) cc_final: 0.7243 (t80) REVERT: C 2888 ARG cc_start: 0.6964 (OUTLIER) cc_final: 0.6732 (tpt170) REVERT: C 2919 ASP cc_start: 0.5314 (OUTLIER) cc_final: 0.4467 (t70) REVERT: C 3639 THR cc_start: 0.8075 (OUTLIER) cc_final: 0.7827 (m) REVERT: C 3670 GLU cc_start: 0.8565 (OUTLIER) cc_final: 0.7788 (mp0) REVERT: C 3694 LYS cc_start: 0.9166 (OUTLIER) cc_final: 0.8899 (mmmm) REVERT: C 3707 ARG cc_start: 0.9177 (OUTLIER) cc_final: 0.8620 (ttt90) REVERT: C 3756 LYS cc_start: 0.8644 (OUTLIER) cc_final: 0.8356 (mtmm) REVERT: C 3771 HIS cc_start: 0.6644 (OUTLIER) cc_final: 0.6151 (t70) REVERT: C 3854 GLU cc_start: 0.7181 (OUTLIER) cc_final: 0.6697 (mm-30) REVERT: C 3902 TYR cc_start: 0.9252 (OUTLIER) cc_final: 0.8805 (t80) REVERT: C 3948 LYS cc_start: 0.9134 (OUTLIER) cc_final: 0.8914 (mtpp) REVERT: C 4009 GLN cc_start: 0.8976 (OUTLIER) cc_final: 0.8098 (mt0) REVERT: C 4050 GLU cc_start: 0.8705 (OUTLIER) cc_final: 0.8145 (tp30) REVERT: C 4224 GLU cc_start: 0.9147 (OUTLIER) cc_final: 0.8030 (pp20) REVERT: C 4580 TYR cc_start: 0.8445 (OUTLIER) cc_final: 0.7495 (m-80) REVERT: C 4671 PHE cc_start: 0.9401 (OUTLIER) cc_final: 0.9194 (t80) REVERT: C 4682 GLU cc_start: 0.9167 (OUTLIER) cc_final: 0.8948 (tm-30) REVERT: C 4796 MET cc_start: 0.8073 (OUTLIER) cc_final: 0.7312 (tmm) REVERT: C 4886 HIS cc_start: 0.8508 (OUTLIER) cc_final: 0.7782 (t-90) REVERT: C 4949 GLN cc_start: 0.8396 (OUTLIER) cc_final: 0.7681 (tt0) REVERT: C 4960 ILE cc_start: 0.9161 (OUTLIER) cc_final: 0.8758 (mm) REVERT: C 4961 CYS cc_start: 0.9321 (OUTLIER) cc_final: 0.5599 (t) REVERT: C 4997 ASN cc_start: 0.8955 (OUTLIER) cc_final: 0.8600 (t0) REVERT: C 5006 GLN cc_start: 0.9172 (OUTLIER) cc_final: 0.8874 (mp10) REVERT: D 139 GLU cc_start: 0.8540 (OUTLIER) cc_final: 0.8251 (tp30) REVERT: D 164 ARG cc_start: 0.8254 (OUTLIER) cc_final: 0.7283 (mtp180) REVERT: D 244 LEU cc_start: 0.8993 (OUTLIER) cc_final: 0.8707 (pt) REVERT: D 257 ARG cc_start: 0.8103 (OUTLIER) cc_final: 0.7465 (mtt180) REVERT: D 265 LEU cc_start: 0.8712 (OUTLIER) cc_final: 0.8427 (mm) REVERT: D 302 VAL cc_start: 0.9268 (t) cc_final: 0.8961 (p) REVERT: D 358 THR cc_start: 0.7559 (OUTLIER) cc_final: 0.7050 (p) REVERT: D 359 TYR cc_start: 0.7446 (OUTLIER) cc_final: 0.6769 (p90) REVERT: D 374 LYS cc_start: 0.8205 (OUTLIER) cc_final: 0.7865 (ptpp) REVERT: D 510 GLU cc_start: 0.8924 (pm20) cc_final: 0.8567 (pm20) REVERT: D 545 ASP cc_start: 0.8719 (OUTLIER) cc_final: 0.8367 (m-30) REVERT: D 616 SER cc_start: 0.9351 (OUTLIER) cc_final: 0.9120 (t) REVERT: D 629 ARG cc_start: 0.9147 (OUTLIER) cc_final: 0.8907 (mtt90) REVERT: D 688 LEU cc_start: 0.9538 (OUTLIER) cc_final: 0.9144 (tp) REVERT: D 758 ARG cc_start: 0.8162 (OUTLIER) cc_final: 0.7699 (mmm-85) REVERT: D 812 HIS cc_start: 0.6441 (OUTLIER) cc_final: 0.6121 (t-170) REVERT: D 813 GLU cc_start: 0.6539 (OUTLIER) cc_final: 0.5223 (tm-30) REVERT: D 869 ARG cc_start: 0.6945 (OUTLIER) cc_final: 0.6266 (mtm180) REVERT: D 938 HIS cc_start: 0.7085 (m-70) cc_final: 0.6600 (m-70) REVERT: D 965 TYR cc_start: 0.3683 (OUTLIER) cc_final: 0.3269 (t80) REVERT: D 1036 ARG cc_start: 0.8918 (OUTLIER) cc_final: 0.8518 (ttm110) REVERT: D 1137 GLU cc_start: 0.8883 (OUTLIER) cc_final: 0.8208 (mm-30) REVERT: D 1164 LEU cc_start: 0.9181 (OUTLIER) cc_final: 0.8801 (pt) REVERT: D 1202 LEU cc_start: 0.9600 (OUTLIER) cc_final: 0.9309 (tp) REVERT: D 1230 MET cc_start: 0.8762 (OUTLIER) cc_final: 0.8528 (mtt) REVERT: D 1636 MET cc_start: 0.8635 (OUTLIER) cc_final: 0.7700 (ppp) REVERT: D 1646 ARG cc_start: 0.8934 (OUTLIER) cc_final: 0.8148 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9053 (OUTLIER) cc_final: 0.8060 (ttp80) REVERT: D 1734 TYR cc_start: 0.9214 (OUTLIER) cc_final: 0.8444 (m-10) REVERT: D 1797 ARG cc_start: 0.9078 (OUTLIER) cc_final: 0.8183 (mmm160) REVERT: D 1798 LEU cc_start: 0.8753 (OUTLIER) cc_final: 0.8513 (mp) REVERT: D 1956 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8171 (pm20) REVERT: D 1958 LEU cc_start: 0.9309 (OUTLIER) cc_final: 0.9087 (tp) REVERT: D 1996 ARG cc_start: 0.8712 (OUTLIER) cc_final: 0.8086 (ptm-80) REVERT: D 2101 MET cc_start: 0.9088 (tmm) cc_final: 0.8885 (tmm) REVERT: D 2188 ASN cc_start: 0.9251 (OUTLIER) cc_final: 0.8684 (t0) REVERT: D 2192 TYR cc_start: 0.8574 (OUTLIER) cc_final: 0.7579 (m-80) REVERT: D 2208 MET cc_start: 0.8841 (tpp) cc_final: 0.8372 (tpp) REVERT: D 2211 MET cc_start: 0.9042 (tmm) cc_final: 0.8750 (tmm) REVERT: D 2364 PHE cc_start: 0.8749 (OUTLIER) cc_final: 0.7357 (m-80) REVERT: D 2738 ARG cc_start: 0.1283 (OUTLIER) cc_final: 0.1082 (ptt180) REVERT: D 2805 TYR cc_start: 0.7938 (t80) cc_final: 0.7547 (t80) REVERT: D 2888 ARG cc_start: 0.7975 (OUTLIER) cc_final: 0.7713 (tpp-160) REVERT: D 2919 ASP cc_start: 0.5535 (OUTLIER) cc_final: 0.4775 (t70) REVERT: D 2920 ARG cc_start: 0.5031 (OUTLIER) cc_final: 0.2372 (ptp-110) REVERT: D 3639 THR cc_start: 0.7933 (OUTLIER) cc_final: 0.7670 (m) REVERT: D 3670 GLU cc_start: 0.8574 (OUTLIER) cc_final: 0.7828 (mp0) REVERT: D 3694 LYS cc_start: 0.9148 (OUTLIER) cc_final: 0.8882 (mmmm) REVERT: D 3707 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8632 (ttt90) REVERT: D 3756 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8339 (mtmm) REVERT: D 3771 HIS cc_start: 0.6669 (OUTLIER) cc_final: 0.6183 (t70) REVERT: D 3854 GLU cc_start: 0.7146 (OUTLIER) cc_final: 0.6609 (mm-30) REVERT: D 3902 TYR cc_start: 0.9243 (OUTLIER) cc_final: 0.8827 (t80) REVERT: D 3948 LYS cc_start: 0.9129 (OUTLIER) cc_final: 0.8899 (mtpp) REVERT: D 4009 GLN cc_start: 0.8997 (OUTLIER) cc_final: 0.8119 (mt0) REVERT: D 4050 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.8341 (tp30) REVERT: D 4063 ASP cc_start: 0.9273 (OUTLIER) cc_final: 0.9053 (t70) REVERT: D 4224 GLU cc_start: 0.9159 (OUTLIER) cc_final: 0.8001 (pp20) REVERT: D 4580 TYR cc_start: 0.8560 (OUTLIER) cc_final: 0.7577 (m-80) REVERT: D 4735 GLU cc_start: 0.8883 (OUTLIER) cc_final: 0.8175 (tm-30) REVERT: D 4796 MET cc_start: 0.7948 (OUTLIER) cc_final: 0.7282 (tmm) REVERT: D 4821 LYS cc_start: 0.9000 (OUTLIER) cc_final: 0.8764 (mmmt) REVERT: D 4860 ARG cc_start: 0.7442 (OUTLIER) cc_final: 0.7173 (mtp180) REVERT: D 4886 HIS cc_start: 0.8521 (OUTLIER) cc_final: 0.7832 (t-90) REVERT: D 4949 GLN cc_start: 0.8476 (OUTLIER) cc_final: 0.7655 (tp40) REVERT: D 4960 ILE cc_start: 0.9206 (OUTLIER) cc_final: 0.8818 (mm) REVERT: D 4961 CYS cc_start: 0.9327 (OUTLIER) cc_final: 0.5620 (t) REVERT: D 4997 ASN cc_start: 0.8915 (OUTLIER) cc_final: 0.8554 (t0) outliers start: 2861 outliers final: 2030 residues processed: 3320 average time/residue: 0.9353 time to fit residues: 5559.0646 Evaluate side-chains 2912 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2294 poor density : 618 time to evaluate : 9.057 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 60 PRO Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 202 MET 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 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL 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 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 314 PHE Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 543 ASN Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS 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 813 GLU Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 935 LEU Chi-restraints excluded: chain A residue 943 ASP Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1028 ASP Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1115 LEU Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1220 GLN Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1691 GLN Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS 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 1936 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2359 ARG Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2757 LYS Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2800 LYS Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2921 GLU Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4039 MET Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 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 4201 ASN Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4717 ASP Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4821 LYS Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 60 PRO Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET 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 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL 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 310 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 314 PHE Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 543 ASN Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU 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 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 943 ASP Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1028 ASP Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1115 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1220 GLN Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1691 GLN Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1956 GLU Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2196 ASN Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2359 ARG Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2757 LYS Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2871 LEU Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2921 GLU Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4214 LYS Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4717 ASP Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4833 ASN Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4899 ASP Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 60 PRO Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 211 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 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 314 PHE Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 509 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 941 MET Chi-restraints excluded: chain C residue 943 ASP Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1028 ASP Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1052 ASN Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1115 LEU Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1130 GLN Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1800 PRO Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1936 LYS Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2359 ARG Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2780 ASN Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2871 LEU Chi-restraints excluded: chain C residue 2878 LEU Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2919 ASP Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER 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 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3970 GLN 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 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET 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 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4555 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4579 PHE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4717 ASP Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4815 ASP Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4823 LEU Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4899 ASP Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET 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 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL 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 301 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 314 PHE Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 859 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1028 ASP Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1115 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER 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 1221 GLU Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1800 PRO Chi-restraints excluded: chain D residue 1804 LEU Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1936 LYS Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1956 GLU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2738 ARG Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2780 ASN Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2909 ASP Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2919 ASP Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3889 GLN 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 3902 TYR 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 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER 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 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET 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 4201 ASN Chi-restraints excluded: chain D residue 4210 VAL Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4555 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 4581 LYS Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4650 HIS Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4717 ASP Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4823 LEU Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4833 ASN Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 520 ASN ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2187 ASN ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A2763 HIS ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 520 ASN ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1683 HIS ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2763 HIS ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3889 GLN ** B3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 520 ASN ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1683 HIS ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3833 GLN C3889 GLN ** C3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 520 ASN ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1683 HIS ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1719 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3889 GLN ** D3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4728 HIS ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8500 moved from start: 0.9584 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.343 119272 Z= 3.624 Angle : 3.268 36.876 162652 Z= 1.651 Chirality : 0.156 0.769 19028 Planarity : 0.020 0.186 21412 Dihedral : 14.587 179.912 17620 Min Nonbonded Distance : 1.751 Molprobity Statistics. All-atom Clashscore : 92.83 Ramachandran Plot: Outliers : 2.69 % Allowed : 34.95 % Favored : 62.36 % Rotamer: Outliers : 30.61 % Allowed : 24.37 % Favored : 45.02 % Cbeta Deviations : 0.89 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 9.05 % Twisted General : 3.61 % 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: -7.19 (0.05), residues: 12804 helix: -4.32 (0.04), residues: 5676 sheet: -4.32 (0.12), residues: 1188 loop : -5.41 (0.05), residues: 5940 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.054 0.008 HIS B3771 PHE 0.135 0.011 PHE C1238 TYR 0.072 0.010 TYR C1049 ARG 0.045 0.003 ARG A2806 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3699 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3077 poor density : 622 time to evaluate : 9.210 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 139 GLU cc_start: 0.8561 (OUTLIER) cc_final: 0.8242 (tp30) REVERT: A 164 ARG cc_start: 0.8265 (OUTLIER) cc_final: 0.7364 (mtp180) REVERT: A 244 LEU cc_start: 0.8955 (OUTLIER) cc_final: 0.8682 (pt) REVERT: A 257 ARG cc_start: 0.8120 (OUTLIER) cc_final: 0.7497 (mtt180) REVERT: A 261 ARG cc_start: 0.8454 (OUTLIER) cc_final: 0.7441 (ttt-90) REVERT: A 265 LEU cc_start: 0.8855 (OUTLIER) cc_final: 0.8590 (mm) REVERT: A 302 VAL cc_start: 0.9287 (OUTLIER) cc_final: 0.8968 (p) REVERT: A 317 ARG cc_start: 0.8702 (OUTLIER) cc_final: 0.8310 (mtt90) REVERT: A 340 LYS cc_start: 0.9167 (OUTLIER) cc_final: 0.8737 (ttmm) REVERT: A 358 THR cc_start: 0.7953 (OUTLIER) cc_final: 0.7603 (p) REVERT: A 359 TYR cc_start: 0.7503 (OUTLIER) cc_final: 0.6683 (p90) REVERT: A 545 ASP cc_start: 0.8709 (OUTLIER) cc_final: 0.8468 (m-30) REVERT: A 616 SER cc_start: 0.9332 (OUTLIER) cc_final: 0.9105 (t) REVERT: A 623 GLU cc_start: 0.7861 (OUTLIER) cc_final: 0.7546 (mt-10) REVERT: A 629 ARG cc_start: 0.9166 (OUTLIER) cc_final: 0.8811 (mtt90) REVERT: A 661 LYS cc_start: 0.8269 (OUTLIER) cc_final: 0.7846 (mtmt) REVERT: A 758 ARG cc_start: 0.8175 (OUTLIER) cc_final: 0.7540 (mtm-85) REVERT: A 771 PHE cc_start: 0.9614 (OUTLIER) cc_final: 0.9223 (p90) REVERT: A 812 HIS cc_start: 0.6201 (OUTLIER) cc_final: 0.5896 (t-170) REVERT: A 869 ARG cc_start: 0.6630 (OUTLIER) cc_final: 0.5780 (mtm180) REVERT: A 965 TYR cc_start: 0.3612 (OUTLIER) cc_final: 0.3300 (t80) REVERT: A 1036 ARG cc_start: 0.8864 (OUTLIER) cc_final: 0.8489 (ttm110) REVERT: A 1051 TYR cc_start: 0.5438 (OUTLIER) cc_final: 0.4371 (m-80) REVERT: A 1078 GLU cc_start: 0.9198 (OUTLIER) cc_final: 0.8665 (tp30) REVERT: A 1101 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8880 (mtt180) REVERT: A 1137 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.8211 (mm-30) REVERT: A 1164 LEU cc_start: 0.9161 (OUTLIER) cc_final: 0.8827 (pt) REVERT: A 1202 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9293 (tp) REVERT: A 1211 LEU cc_start: 0.9212 (OUTLIER) cc_final: 0.9004 (tt) REVERT: A 1636 MET cc_start: 0.8647 (OUTLIER) cc_final: 0.7639 (ppp) REVERT: A 1646 ARG cc_start: 0.8965 (OUTLIER) cc_final: 0.8121 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9038 (OUTLIER) cc_final: 0.8164 (ttp80) REVERT: A 1734 TYR cc_start: 0.9170 (OUTLIER) cc_final: 0.8441 (m-10) REVERT: A 1772 ARG cc_start: 0.8927 (OUTLIER) cc_final: 0.8327 (mpt-90) REVERT: A 1813 ARG cc_start: 0.9115 (OUTLIER) cc_final: 0.8751 (ttp80) REVERT: A 1865 MET cc_start: 0.7592 (OUTLIER) cc_final: 0.6911 (mmt) REVERT: A 1956 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8137 (pm20) REVERT: A 1958 LEU cc_start: 0.9349 (OUTLIER) cc_final: 0.9125 (tp) REVERT: A 1977 TYR cc_start: 0.8400 (OUTLIER) cc_final: 0.8015 (t80) REVERT: A 1996 ARG cc_start: 0.8672 (OUTLIER) cc_final: 0.7924 (ptm-80) REVERT: A 2192 TYR cc_start: 0.8450 (OUTLIER) cc_final: 0.7534 (m-80) REVERT: A 2196 ASN cc_start: 0.9407 (OUTLIER) cc_final: 0.9195 (m-40) REVERT: A 2215 LEU cc_start: 0.9124 (OUTLIER) cc_final: 0.8810 (pp) REVERT: A 2364 PHE cc_start: 0.8791 (OUTLIER) cc_final: 0.7539 (m-10) REVERT: A 2368 LEU cc_start: 0.9151 (OUTLIER) cc_final: 0.8881 (mp) REVERT: A 2472 LEU cc_start: 0.9388 (OUTLIER) cc_final: 0.9093 (pp) REVERT: A 2757 LYS cc_start: -0.5944 (OUTLIER) cc_final: -0.6287 (tmmt) REVERT: A 2790 MET cc_start: 0.3590 (mpp) cc_final: 0.3260 (mpp) REVERT: A 2888 ARG cc_start: 0.7532 (OUTLIER) cc_final: 0.7005 (tpt170) REVERT: A 2920 ARG cc_start: 0.4505 (OUTLIER) cc_final: 0.4134 (pmt-80) REVERT: A 3670 GLU cc_start: 0.8535 (OUTLIER) cc_final: 0.7816 (mp0) REVERT: A 3694 LYS cc_start: 0.9155 (OUTLIER) cc_final: 0.8890 (mmmm) REVERT: A 3756 LYS cc_start: 0.8565 (OUTLIER) cc_final: 0.8224 (mtmm) REVERT: A 3771 HIS cc_start: 0.6671 (OUTLIER) cc_final: 0.6360 (t70) REVERT: A 3902 TYR cc_start: 0.9225 (OUTLIER) cc_final: 0.8931 (t80) REVERT: A 3967 GLU cc_start: 0.9253 (OUTLIER) cc_final: 0.8893 (tp30) REVERT: A 4009 GLN cc_start: 0.8942 (OUTLIER) cc_final: 0.8294 (mt0) REVERT: A 4090 LYS cc_start: 0.8465 (OUTLIER) cc_final: 0.8207 (ttmt) REVERT: A 4172 GLU cc_start: 0.8970 (OUTLIER) cc_final: 0.8649 (mm-30) REVERT: A 4207 MET cc_start: 0.8635 (tmm) cc_final: 0.8297 (tmm) REVERT: A 4208 PRO cc_start: 0.8262 (OUTLIER) cc_final: 0.8026 (Cg_endo) REVERT: A 4560 TYR cc_start: 0.8953 (m-80) cc_final: 0.8684 (m-80) REVERT: A 4580 TYR cc_start: 0.8596 (OUTLIER) cc_final: 0.7246 (m-80) REVERT: A 4671 PHE cc_start: 0.9419 (OUTLIER) cc_final: 0.9194 (t80) REVERT: A 4796 MET cc_start: 0.8016 (OUTLIER) cc_final: 0.7244 (tmm) REVERT: A 4860 ARG cc_start: 0.7355 (OUTLIER) cc_final: 0.7045 (mtp180) REVERT: A 4886 HIS cc_start: 0.8513 (OUTLIER) cc_final: 0.7711 (t-90) REVERT: A 4949 GLN cc_start: 0.8474 (OUTLIER) cc_final: 0.7630 (tp40) REVERT: A 4960 ILE cc_start: 0.9205 (OUTLIER) cc_final: 0.8869 (mm) REVERT: A 4978 HIS cc_start: 0.7751 (OUTLIER) cc_final: 0.7256 (t70) REVERT: A 4997 ASN cc_start: 0.8860 (OUTLIER) cc_final: 0.8577 (t0) REVERT: A 5006 GLN cc_start: 0.9194 (OUTLIER) cc_final: 0.8918 (mp10) REVERT: B 139 GLU cc_start: 0.8531 (OUTLIER) cc_final: 0.8238 (tp30) REVERT: B 150 MET cc_start: 0.8378 (OUTLIER) cc_final: 0.6972 (mpt) REVERT: B 164 ARG cc_start: 0.8312 (OUTLIER) cc_final: 0.7357 (mtp180) REVERT: B 244 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8680 (pt) REVERT: B 257 ARG cc_start: 0.8043 (OUTLIER) cc_final: 0.7405 (mtt180) REVERT: B 261 ARG cc_start: 0.8429 (OUTLIER) cc_final: 0.7441 (ttt-90) REVERT: B 265 LEU cc_start: 0.8806 (OUTLIER) cc_final: 0.8444 (mm) REVERT: B 302 VAL cc_start: 0.9285 (OUTLIER) cc_final: 0.8960 (p) REVERT: B 317 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.8314 (mtt90) REVERT: B 340 LYS cc_start: 0.9163 (OUTLIER) cc_final: 0.8729 (ttmm) REVERT: B 358 THR cc_start: 0.7928 (OUTLIER) cc_final: 0.7585 (p) REVERT: B 359 TYR cc_start: 0.7459 (OUTLIER) cc_final: 0.6646 (p90) REVERT: B 374 LYS cc_start: 0.8143 (OUTLIER) cc_final: 0.7740 (ptpp) REVERT: B 545 ASP cc_start: 0.8702 (OUTLIER) cc_final: 0.8441 (m-30) REVERT: B 616 SER cc_start: 0.9343 (OUTLIER) cc_final: 0.9112 (t) REVERT: B 629 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8827 (mtt90) REVERT: B 632 LEU cc_start: 0.9102 (OUTLIER) cc_final: 0.8841 (mp) REVERT: B 688 LEU cc_start: 0.9578 (OUTLIER) cc_final: 0.9162 (tp) REVERT: B 758 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7671 (mmm-85) REVERT: B 771 PHE cc_start: 0.9619 (OUTLIER) cc_final: 0.9247 (p90) REVERT: B 812 HIS cc_start: 0.6295 (OUTLIER) cc_final: 0.5880 (t-170) REVERT: B 835 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.7596 (ptm-80) REVERT: B 869 ARG cc_start: 0.6717 (OUTLIER) cc_final: 0.5987 (mtm180) REVERT: B 880 GLU cc_start: 0.6601 (OUTLIER) cc_final: 0.5232 (pp20) REVERT: B 965 TYR cc_start: 0.3716 (OUTLIER) cc_final: 0.3268 (t80) REVERT: B 1036 ARG cc_start: 0.8825 (OUTLIER) cc_final: 0.8426 (ttm110) REVERT: B 1051 TYR cc_start: 0.5424 (OUTLIER) cc_final: 0.4422 (m-80) REVERT: B 1078 GLU cc_start: 0.9191 (OUTLIER) cc_final: 0.8639 (tp30) REVERT: B 1101 ARG cc_start: 0.9335 (OUTLIER) cc_final: 0.8886 (mtt180) REVERT: B 1137 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.8184 (mm-30) REVERT: B 1164 LEU cc_start: 0.9170 (OUTLIER) cc_final: 0.8787 (pt) REVERT: B 1202 LEU cc_start: 0.9591 (OUTLIER) cc_final: 0.9298 (tp) REVERT: B 1211 LEU cc_start: 0.9190 (OUTLIER) cc_final: 0.8979 (tt) REVERT: B 1636 MET cc_start: 0.8636 (OUTLIER) cc_final: 0.7674 (ppp) REVERT: B 1639 LEU cc_start: 0.9667 (OUTLIER) cc_final: 0.9257 (mp) REVERT: B 1646 ARG cc_start: 0.9009 (OUTLIER) cc_final: 0.8118 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9764 (OUTLIER) cc_final: 0.9548 (mp) REVERT: B 1728 ARG cc_start: 0.9050 (OUTLIER) cc_final: 0.8034 (ttp80) REVERT: B 1730 MET cc_start: 0.9138 (tpp) cc_final: 0.8930 (tpp) REVERT: B 1734 TYR cc_start: 0.9174 (OUTLIER) cc_final: 0.8404 (m-10) REVERT: B 1798 LEU cc_start: 0.8699 (OUTLIER) cc_final: 0.8404 (mp) REVERT: B 1813 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8669 (ttp80) REVERT: B 1865 MET cc_start: 0.7578 (OUTLIER) cc_final: 0.6891 (mmt) REVERT: B 1958 LEU cc_start: 0.9327 (OUTLIER) cc_final: 0.9125 (tp) REVERT: B 1977 TYR cc_start: 0.8412 (OUTLIER) cc_final: 0.8048 (t80) REVERT: B 1996 ARG cc_start: 0.8663 (OUTLIER) cc_final: 0.8044 (ptm-80) REVERT: B 2101 MET cc_start: 0.9104 (tmm) cc_final: 0.8903 (tmm) REVERT: B 2188 ASN cc_start: 0.9226 (OUTLIER) cc_final: 0.8423 (t0) REVERT: B 2190 VAL cc_start: 0.9190 (OUTLIER) cc_final: 0.8981 (t) REVERT: B 2192 TYR cc_start: 0.8516 (OUTLIER) cc_final: 0.7640 (m-80) REVERT: B 2196 ASN cc_start: 0.9430 (OUTLIER) cc_final: 0.9224 (m-40) REVERT: B 2364 PHE cc_start: 0.8814 (OUTLIER) cc_final: 0.7565 (m-80) REVERT: B 2368 LEU cc_start: 0.9110 (OUTLIER) cc_final: 0.8851 (mp) REVERT: B 2472 LEU cc_start: 0.9379 (OUTLIER) cc_final: 0.9081 (pp) REVERT: B 2790 MET cc_start: 0.3512 (mpp) cc_final: 0.3281 (mpp) REVERT: B 2800 LYS cc_start: 0.5056 (OUTLIER) cc_final: 0.4133 (ptmm) REVERT: B 2915 GLU cc_start: 0.7299 (OUTLIER) cc_final: 0.6510 (tp30) REVERT: B 3670 GLU cc_start: 0.8558 (OUTLIER) cc_final: 0.7820 (mp0) REVERT: B 3694 LYS cc_start: 0.9138 (OUTLIER) cc_final: 0.8869 (mmmm) REVERT: B 3756 LYS cc_start: 0.8593 (OUTLIER) cc_final: 0.8268 (mtmm) REVERT: B 3771 HIS cc_start: 0.6879 (OUTLIER) cc_final: 0.6574 (t70) REVERT: B 3854 GLU cc_start: 0.7129 (OUTLIER) cc_final: 0.6567 (mm-30) REVERT: B 3902 TYR cc_start: 0.9207 (OUTLIER) cc_final: 0.8929 (t80) REVERT: B 3967 GLU cc_start: 0.9246 (OUTLIER) cc_final: 0.8911 (tp30) REVERT: B 4009 GLN cc_start: 0.8897 (OUTLIER) cc_final: 0.8247 (mt0) REVERT: B 4090 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8177 (ttmt) REVERT: B 4207 MET cc_start: 0.8621 (tmm) cc_final: 0.8318 (tmm) REVERT: B 4208 PRO cc_start: 0.8294 (OUTLIER) cc_final: 0.8036 (Cg_endo) REVERT: B 4214 LYS cc_start: 0.9407 (OUTLIER) cc_final: 0.9202 (ttpt) REVERT: B 4580 TYR cc_start: 0.8442 (OUTLIER) cc_final: 0.7338 (m-80) REVERT: B 4671 PHE cc_start: 0.9409 (OUTLIER) cc_final: 0.9188 (t80) REVERT: B 4796 MET cc_start: 0.8021 (OUTLIER) cc_final: 0.7275 (tmm) REVERT: B 4821 LYS cc_start: 0.8796 (OUTLIER) cc_final: 0.8339 (mmmt) REVERT: B 4886 HIS cc_start: 0.8519 (OUTLIER) cc_final: 0.7783 (t-90) REVERT: B 4949 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.7690 (tp40) REVERT: B 4960 ILE cc_start: 0.9195 (OUTLIER) cc_final: 0.8821 (mm) REVERT: B 4961 CYS cc_start: 0.9346 (OUTLIER) cc_final: 0.5479 (t) REVERT: B 4989 MET cc_start: 0.9028 (tmm) cc_final: 0.8793 (ttt) REVERT: B 4997 ASN cc_start: 0.8897 (OUTLIER) cc_final: 0.8596 (t0) REVERT: B 5006 GLN cc_start: 0.9206 (OUTLIER) cc_final: 0.8910 (mp10) REVERT: C 124 SER cc_start: 0.8795 (OUTLIER) cc_final: 0.8442 (m) REVERT: C 139 GLU cc_start: 0.8598 (OUTLIER) cc_final: 0.8317 (tp30) REVERT: C 150 MET cc_start: 0.8364 (OUTLIER) cc_final: 0.6898 (mpp) REVERT: C 164 ARG cc_start: 0.8213 (OUTLIER) cc_final: 0.7280 (mtp180) REVERT: C 244 LEU cc_start: 0.9032 (OUTLIER) cc_final: 0.8766 (pt) REVERT: C 261 ARG cc_start: 0.8542 (OUTLIER) cc_final: 0.7576 (ttt-90) REVERT: C 265 LEU cc_start: 0.8765 (OUTLIER) cc_final: 0.8388 (mm) REVERT: C 302 VAL cc_start: 0.9271 (OUTLIER) cc_final: 0.8940 (p) REVERT: C 317 ARG cc_start: 0.8803 (OUTLIER) cc_final: 0.8382 (mtt90) REVERT: C 358 THR cc_start: 0.7865 (OUTLIER) cc_final: 0.7421 (p) REVERT: C 359 TYR cc_start: 0.7517 (OUTLIER) cc_final: 0.6627 (p90) REVERT: C 374 LYS cc_start: 0.8168 (OUTLIER) cc_final: 0.7755 (ptpp) REVERT: C 545 ASP cc_start: 0.8638 (OUTLIER) cc_final: 0.8372 (m-30) REVERT: C 553 ARG cc_start: 0.8158 (OUTLIER) cc_final: 0.7958 (pmt-80) REVERT: C 554 LEU cc_start: 0.8336 (OUTLIER) cc_final: 0.7901 (mp) REVERT: C 616 SER cc_start: 0.9360 (OUTLIER) cc_final: 0.9126 (t) REVERT: C 623 GLU cc_start: 0.7949 (OUTLIER) cc_final: 0.7558 (mt-10) REVERT: C 661 LYS cc_start: 0.8424 (OUTLIER) cc_final: 0.8064 (mmmt) REVERT: C 758 ARG cc_start: 0.8186 (OUTLIER) cc_final: 0.7523 (mtm-85) REVERT: C 771 PHE cc_start: 0.9624 (OUTLIER) cc_final: 0.9095 (p90) REVERT: C 812 HIS cc_start: 0.6212 (OUTLIER) cc_final: 0.5908 (t-170) REVERT: C 869 ARG cc_start: 0.6577 (OUTLIER) cc_final: 0.6233 (ptp-170) REVERT: C 954 LYS cc_start: 0.7121 (tppt) cc_final: 0.6881 (pptt) REVERT: C 965 TYR cc_start: 0.3936 (OUTLIER) cc_final: 0.3535 (t80) REVERT: C 1036 ARG cc_start: 0.8843 (OUTLIER) cc_final: 0.8449 (ttm110) REVERT: C 1051 TYR cc_start: 0.5518 (OUTLIER) cc_final: 0.4460 (m-80) REVERT: C 1078 GLU cc_start: 0.9272 (OUTLIER) cc_final: 0.8726 (tp30) REVERT: C 1101 ARG cc_start: 0.9334 (OUTLIER) cc_final: 0.8861 (mtt180) REVERT: C 1137 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.8212 (mm-30) REVERT: C 1164 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8774 (pt) REVERT: C 1202 LEU cc_start: 0.9591 (OUTLIER) cc_final: 0.9302 (tp) REVERT: C 1211 LEU cc_start: 0.9212 (OUTLIER) cc_final: 0.9001 (tt) REVERT: C 1230 MET cc_start: 0.8738 (OUTLIER) cc_final: 0.8288 (mtt) REVERT: C 1272 LEU cc_start: 0.9415 (OUTLIER) cc_final: 0.9176 (tp) REVERT: C 1636 MET cc_start: 0.8663 (OUTLIER) cc_final: 0.7665 (ppp) REVERT: C 1728 ARG cc_start: 0.9047 (OUTLIER) cc_final: 0.8035 (ttp80) REVERT: C 1730 MET cc_start: 0.9151 (tpp) cc_final: 0.8919 (tpp) REVERT: C 1734 TYR cc_start: 0.9209 (OUTLIER) cc_final: 0.8451 (m-10) REVERT: C 1772 ARG cc_start: 0.8960 (OUTLIER) cc_final: 0.8373 (mpt-90) REVERT: C 1798 LEU cc_start: 0.8738 (OUTLIER) cc_final: 0.8442 (mp) REVERT: C 1956 GLU cc_start: 0.8377 (OUTLIER) cc_final: 0.8141 (pm20) REVERT: C 1958 LEU cc_start: 0.9318 (OUTLIER) cc_final: 0.9103 (tp) REVERT: C 1977 TYR cc_start: 0.8426 (OUTLIER) cc_final: 0.7923 (t80) REVERT: C 1996 ARG cc_start: 0.8732 (OUTLIER) cc_final: 0.8076 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9236 (OUTLIER) cc_final: 0.8434 (t0) REVERT: C 2192 TYR cc_start: 0.8492 (OUTLIER) cc_final: 0.7670 (m-80) REVERT: C 2208 MET cc_start: 0.8795 (tpp) cc_final: 0.8524 (tpp) REVERT: C 2211 MET cc_start: 0.9057 (tmm) cc_final: 0.8748 (tmm) REVERT: C 2223 ILE cc_start: 0.8458 (OUTLIER) cc_final: 0.8256 (mm) REVERT: C 2364 PHE cc_start: 0.8764 (OUTLIER) cc_final: 0.7379 (m-80) REVERT: C 2368 LEU cc_start: 0.9117 (OUTLIER) cc_final: 0.8853 (mp) REVERT: C 2457 LEU cc_start: 0.9395 (OUTLIER) cc_final: 0.9105 (tt) REVERT: C 2790 MET cc_start: 0.3594 (mpp) cc_final: 0.3384 (mpp) REVERT: C 2800 LYS cc_start: 0.4995 (OUTLIER) cc_final: 0.4073 (ptmm) REVERT: C 2805 TYR cc_start: 0.8068 (t80) cc_final: 0.7602 (t80) REVERT: C 3639 THR cc_start: 0.8083 (OUTLIER) cc_final: 0.7843 (m) REVERT: C 3670 GLU cc_start: 0.8559 (OUTLIER) cc_final: 0.7784 (mp0) REVERT: C 3694 LYS cc_start: 0.9155 (OUTLIER) cc_final: 0.8884 (mmmm) REVERT: C 3707 ARG cc_start: 0.9203 (OUTLIER) cc_final: 0.8683 (ttt90) REVERT: C 3756 LYS cc_start: 0.8626 (OUTLIER) cc_final: 0.8294 (mtmm) REVERT: C 3771 HIS cc_start: 0.6690 (OUTLIER) cc_final: 0.6332 (t70) REVERT: C 3854 GLU cc_start: 0.7218 (OUTLIER) cc_final: 0.6693 (mm-30) REVERT: C 3902 TYR cc_start: 0.9258 (OUTLIER) cc_final: 0.8902 (t80) REVERT: C 3948 LYS cc_start: 0.9136 (OUTLIER) cc_final: 0.8826 (mtpp) REVERT: C 3967 GLU cc_start: 0.9291 (OUTLIER) cc_final: 0.8927 (tp30) REVERT: C 4009 GLN cc_start: 0.8957 (OUTLIER) cc_final: 0.8085 (mt0) REVERT: C 4090 LYS cc_start: 0.8436 (OUTLIER) cc_final: 0.8111 (ttmt) REVERT: C 4109 GLN cc_start: 0.8960 (OUTLIER) cc_final: 0.8472 (pp30) REVERT: C 4110 PHE cc_start: 0.9103 (OUTLIER) cc_final: 0.8591 (t80) REVERT: C 4224 GLU cc_start: 0.9121 (OUTLIER) cc_final: 0.7974 (pp20) REVERT: C 4580 TYR cc_start: 0.8386 (OUTLIER) cc_final: 0.7294 (m-80) REVERT: C 4796 MET cc_start: 0.7901 (OUTLIER) cc_final: 0.7224 (tmm) REVERT: C 4850 LEU cc_start: 0.9018 (OUTLIER) cc_final: 0.8757 (mm) REVERT: C 4886 HIS cc_start: 0.8435 (OUTLIER) cc_final: 0.7671 (t-90) REVERT: C 4949 GLN cc_start: 0.8460 (OUTLIER) cc_final: 0.7612 (tp40) REVERT: C 4960 ILE cc_start: 0.9156 (OUTLIER) cc_final: 0.8761 (mm) REVERT: C 4961 CYS cc_start: 0.9339 (OUTLIER) cc_final: 0.5495 (t) REVERT: C 4997 ASN cc_start: 0.8890 (OUTLIER) cc_final: 0.8596 (t0) REVERT: C 5006 GLN cc_start: 0.9182 (OUTLIER) cc_final: 0.8896 (mp10) REVERT: D 139 GLU cc_start: 0.8589 (OUTLIER) cc_final: 0.8260 (tp30) REVERT: D 164 ARG cc_start: 0.8222 (OUTLIER) cc_final: 0.7459 (mtp180) REVERT: D 261 ARG cc_start: 0.8545 (OUTLIER) cc_final: 0.7603 (ttt-90) REVERT: D 265 LEU cc_start: 0.8734 (OUTLIER) cc_final: 0.8357 (mm) REVERT: D 302 VAL cc_start: 0.9325 (OUTLIER) cc_final: 0.8993 (p) REVERT: D 358 THR cc_start: 0.7713 (OUTLIER) cc_final: 0.7285 (p) REVERT: D 359 TYR cc_start: 0.7563 (OUTLIER) cc_final: 0.6639 (p90) REVERT: D 374 LYS cc_start: 0.8181 (OUTLIER) cc_final: 0.7825 (ptpp) REVERT: D 554 LEU cc_start: 0.8318 (OUTLIER) cc_final: 0.7900 (mp) REVERT: D 616 SER cc_start: 0.9355 (OUTLIER) cc_final: 0.9136 (t) REVERT: D 629 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8866 (mtt90) REVERT: D 645 ARG cc_start: 0.9243 (OUTLIER) cc_final: 0.8922 (ttp-170) REVERT: D 661 LYS cc_start: 0.8394 (OUTLIER) cc_final: 0.8039 (mmmt) REVERT: D 688 LEU cc_start: 0.9490 (OUTLIER) cc_final: 0.9075 (tp) REVERT: D 758 ARG cc_start: 0.8121 (OUTLIER) cc_final: 0.7699 (mmm-85) REVERT: D 771 PHE cc_start: 0.9621 (OUTLIER) cc_final: 0.9159 (p90) REVERT: D 812 HIS cc_start: 0.6204 (OUTLIER) cc_final: 0.5889 (t-170) REVERT: D 813 GLU cc_start: 0.6424 (OUTLIER) cc_final: 0.5260 (tm-30) REVERT: D 835 ARG cc_start: 0.8119 (OUTLIER) cc_final: 0.7895 (ptm160) REVERT: D 965 TYR cc_start: 0.3858 (OUTLIER) cc_final: 0.3409 (t80) REVERT: D 1036 ARG cc_start: 0.8871 (OUTLIER) cc_final: 0.8492 (ttm110) REVERT: D 1049 TYR cc_start: 0.4445 (OUTLIER) cc_final: 0.4064 (m-80) REVERT: D 1051 TYR cc_start: 0.5757 (OUTLIER) cc_final: 0.4375 (m-80) REVERT: D 1137 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8212 (mm-30) REVERT: D 1164 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8799 (pt) REVERT: D 1202 LEU cc_start: 0.9599 (OUTLIER) cc_final: 0.9319 (tp) REVERT: D 1272 LEU cc_start: 0.9440 (OUTLIER) cc_final: 0.9203 (tp) REVERT: D 1636 MET cc_start: 0.8650 (OUTLIER) cc_final: 0.7769 (ppp) REVERT: D 1646 ARG cc_start: 0.8948 (OUTLIER) cc_final: 0.8141 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9057 (OUTLIER) cc_final: 0.8136 (ttp80) REVERT: D 1734 TYR cc_start: 0.9198 (OUTLIER) cc_final: 0.8408 (m-10) REVERT: D 1772 ARG cc_start: 0.8963 (OUTLIER) cc_final: 0.8342 (mpt-90) REVERT: D 1798 LEU cc_start: 0.8753 (OUTLIER) cc_final: 0.8442 (mp) REVERT: D 1958 LEU cc_start: 0.9313 (OUTLIER) cc_final: 0.9090 (tp) REVERT: D 1977 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7953 (t80) REVERT: D 1996 ARG cc_start: 0.8659 (OUTLIER) cc_final: 0.8096 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9207 (OUTLIER) cc_final: 0.8411 (t0) REVERT: D 2192 TYR cc_start: 0.8524 (OUTLIER) cc_final: 0.7702 (m-80) REVERT: D 2208 MET cc_start: 0.8771 (tpp) cc_final: 0.8486 (tpp) REVERT: D 2211 MET cc_start: 0.9046 (tmm) cc_final: 0.8749 (tmm) REVERT: D 2364 PHE cc_start: 0.8757 (OUTLIER) cc_final: 0.7349 (m-80) REVERT: D 2368 LEU cc_start: 0.9057 (OUTLIER) cc_final: 0.8761 (mp) REVERT: D 2457 LEU cc_start: 0.9411 (OUTLIER) cc_final: 0.9137 (tt) REVERT: D 2790 MET cc_start: 0.3489 (mpp) cc_final: 0.3164 (mpp) REVERT: D 2800 LYS cc_start: 0.4881 (OUTLIER) cc_final: 0.4059 (ptmm) REVERT: D 2805 TYR cc_start: 0.7863 (t80) cc_final: 0.7531 (t80) REVERT: D 3670 GLU cc_start: 0.8576 (OUTLIER) cc_final: 0.7817 (mp0) REVERT: D 3694 LYS cc_start: 0.9149 (OUTLIER) cc_final: 0.8889 (mmmm) REVERT: D 3707 ARG cc_start: 0.9204 (OUTLIER) cc_final: 0.8666 (ttt90) REVERT: D 3713 LYS cc_start: 0.8944 (ptmt) cc_final: 0.8296 (pttt) REVERT: D 3756 LYS cc_start: 0.8628 (OUTLIER) cc_final: 0.8297 (mtmm) REVERT: D 3771 HIS cc_start: 0.6859 (OUTLIER) cc_final: 0.6543 (t70) REVERT: D 3854 GLU cc_start: 0.7170 (OUTLIER) cc_final: 0.6625 (mm-30) REVERT: D 3902 TYR cc_start: 0.9257 (OUTLIER) cc_final: 0.8905 (t80) REVERT: D 3948 LYS cc_start: 0.9127 (OUTLIER) cc_final: 0.8871 (mtpp) REVERT: D 3967 GLU cc_start: 0.9281 (OUTLIER) cc_final: 0.8952 (tp30) REVERT: D 4009 GLN cc_start: 0.8898 (OUTLIER) cc_final: 0.7970 (mt0) REVERT: D 4063 ASP cc_start: 0.9270 (OUTLIER) cc_final: 0.9045 (t70) REVERT: D 4090 LYS cc_start: 0.8428 (OUTLIER) cc_final: 0.8081 (ttmt) REVERT: D 4110 PHE cc_start: 0.9085 (OUTLIER) cc_final: 0.8592 (t80) REVERT: D 4224 GLU cc_start: 0.9109 (OUTLIER) cc_final: 0.7940 (pp20) REVERT: D 4580 TYR cc_start: 0.8553 (OUTLIER) cc_final: 0.7586 (m-80) REVERT: D 4796 MET cc_start: 0.7957 (OUTLIER) cc_final: 0.7201 (tmm) REVERT: D 4821 LYS cc_start: 0.8883 (OUTLIER) cc_final: 0.8670 (mmmt) REVERT: D 4886 HIS cc_start: 0.8495 (OUTLIER) cc_final: 0.7806 (t-90) REVERT: D 4949 GLN cc_start: 0.8533 (OUTLIER) cc_final: 0.7709 (tp40) REVERT: D 4951 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8805 (ttpp) REVERT: D 4960 ILE cc_start: 0.9201 (OUTLIER) cc_final: 0.8822 (mm) REVERT: D 4961 CYS cc_start: 0.9345 (OUTLIER) cc_final: 0.5419 (t) REVERT: D 4989 MET cc_start: 0.9066 (tmm) cc_final: 0.8843 (ttt) REVERT: D 4997 ASN cc_start: 0.8901 (OUTLIER) cc_final: 0.8576 (t0) outliers start: 3077 outliers final: 2244 residues processed: 3523 average time/residue: 0.9015 time to fit residues: 5695.4438 Evaluate side-chains 3137 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2526 poor density : 611 time to evaluate : 9.072 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 202 MET Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 261 ARG Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL 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 308 HIS Chi-restraints excluded: chain A residue 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 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 371 VAL Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS 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 813 GLU Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1028 ASP Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1220 GLN Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2359 ARG Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2757 LYS Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2800 LYS Chi-restraints excluded: chain A residue 2805 TYR Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2909 ASP Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4039 MET Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4077 PHE Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4208 PRO Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4821 LYS Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4924 VAL Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 60 PRO Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 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 122 THR Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 261 ARG Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL 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 308 HIS Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL 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 371 VAL Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 493 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 571 SER Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 941 MET Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1028 ASP Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1115 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2190 VAL Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2196 ASN Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2757 LYS Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2801 ASP Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2909 ASP Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4208 PRO Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4214 LYS Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4833 ASN Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU 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 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 60 PRO Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU 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 122 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU 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 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 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 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 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 371 VAL Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 941 MET Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1028 ASP Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER 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 1211 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1800 PRO Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2737 PRO Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2757 LYS Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2787 THR Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3809 ASN Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3889 GLN 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 3902 TYR Chi-restraints excluded: chain C residue 3906 GLN 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 3915 ILE Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3951 PHE Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU 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 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4935 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5023 PRO Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 84 ASN Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL 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 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 371 VAL Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 859 VAL Chi-restraints excluded: chain D residue 861 ILE Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 955 LEU Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1028 ASP Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER 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 1228 ILE Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1800 PRO 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 1825 HIS 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4210 VAL Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4555 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 4581 LYS Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4944 ARG Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 520 ASN ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1683 HIS ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3830 GLN ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4662 ASN ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 465 GLN B 520 ASN ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 866 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2125 HIS B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3830 GLN B3889 GLN ** B3896 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4662 ASN ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 520 ASN ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 866 HIS ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3830 GLN ** C3906 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 520 ASN ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 866 HIS ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3833 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4662 ASN ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8505 moved from start: 0.9849 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.342 119272 Z= 3.626 Angle : 3.263 32.727 162652 Z= 1.648 Chirality : 0.156 0.794 19028 Planarity : 0.020 0.188 21412 Dihedral : 14.773 179.787 17620 Min Nonbonded Distance : 1.737 Molprobity Statistics. All-atom Clashscore : 93.62 Ramachandran Plot: Outliers : 2.54 % Allowed : 36.01 % Favored : 61.45 % Rotamer: Outliers : 31.06 % Allowed : 24.48 % Favored : 44.46 % Cbeta Deviations : 0.91 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 9.70 % 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: -7.24 (0.05), residues: 12804 helix: -4.35 (0.04), residues: 5724 sheet: -4.31 (0.12), residues: 1240 loop : -5.46 (0.05), residues: 5840 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.055 0.008 HIS A3771 PHE 0.142 0.011 PHE D1238 TYR 0.081 0.010 TYR A 692 ARG 0.043 0.003 ARG D2869 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3727 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3122 poor density : 605 time to evaluate : 9.549 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 124 SER cc_start: 0.8570 (OUTLIER) cc_final: 0.8197 (m) REVERT: A 139 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.8384 (tp30) REVERT: A 150 MET cc_start: 0.8382 (OUTLIER) cc_final: 0.6980 (mpp) REVERT: A 244 LEU cc_start: 0.8976 (OUTLIER) cc_final: 0.8698 (pt) REVERT: A 257 ARG cc_start: 0.8171 (OUTLIER) cc_final: 0.7579 (mtt180) REVERT: A 261 ARG cc_start: 0.8478 (OUTLIER) cc_final: 0.7498 (ttt-90) REVERT: A 265 LEU cc_start: 0.8724 (OUTLIER) cc_final: 0.8339 (mm) REVERT: A 302 VAL cc_start: 0.9284 (OUTLIER) cc_final: 0.8926 (p) REVERT: A 317 ARG cc_start: 0.8701 (OUTLIER) cc_final: 0.8277 (mtt90) REVERT: A 340 LYS cc_start: 0.9155 (OUTLIER) cc_final: 0.8732 (ttmm) REVERT: A 341 TYR cc_start: 0.7954 (OUTLIER) cc_final: 0.7082 (t80) REVERT: A 359 TYR cc_start: 0.7545 (OUTLIER) cc_final: 0.6765 (p90) REVERT: A 545 ASP cc_start: 0.8695 (OUTLIER) cc_final: 0.8419 (m-30) REVERT: A 616 SER cc_start: 0.9360 (OUTLIER) cc_final: 0.9097 (t) REVERT: A 623 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7530 (mt-10) REVERT: A 629 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8807 (mtt90) REVERT: A 645 ARG cc_start: 0.9374 (OUTLIER) cc_final: 0.9114 (ttp-170) REVERT: A 661 LYS cc_start: 0.8351 (OUTLIER) cc_final: 0.7798 (mtmt) REVERT: A 758 ARG cc_start: 0.8153 (OUTLIER) cc_final: 0.7562 (mtm-85) REVERT: A 771 PHE cc_start: 0.9599 (OUTLIER) cc_final: 0.9152 (p90) REVERT: A 812 HIS cc_start: 0.6333 (OUTLIER) cc_final: 0.6111 (t-170) REVERT: A 813 GLU cc_start: 0.6502 (OUTLIER) cc_final: 0.5267 (tm-30) REVERT: A 965 TYR cc_start: 0.3712 (OUTLIER) cc_final: 0.3247 (t80) REVERT: A 1036 ARG cc_start: 0.8879 (OUTLIER) cc_final: 0.8468 (ttm110) REVERT: A 1051 TYR cc_start: 0.5629 (OUTLIER) cc_final: 0.4509 (m-80) REVERT: A 1078 GLU cc_start: 0.9194 (OUTLIER) cc_final: 0.8657 (tp30) REVERT: A 1101 ARG cc_start: 0.9352 (OUTLIER) cc_final: 0.8852 (mtt180) REVERT: A 1109 LEU cc_start: 0.9391 (OUTLIER) cc_final: 0.9102 (tp) REVERT: A 1137 GLU cc_start: 0.8895 (OUTLIER) cc_final: 0.8231 (mm-30) REVERT: A 1164 LEU cc_start: 0.9188 (OUTLIER) cc_final: 0.8849 (pt) REVERT: A 1176 GLU cc_start: 0.7072 (OUTLIER) cc_final: 0.6601 (mp0) REVERT: A 1202 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9294 (tp) REVERT: A 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8982 (tt) REVERT: A 1636 MET cc_start: 0.8664 (OUTLIER) cc_final: 0.7655 (ppp) REVERT: A 1646 ARG cc_start: 0.8969 (OUTLIER) cc_final: 0.8136 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9051 (OUTLIER) cc_final: 0.8167 (ttp80) REVERT: A 1734 TYR cc_start: 0.9177 (OUTLIER) cc_final: 0.8447 (m-10) REVERT: A 1772 ARG cc_start: 0.8927 (OUTLIER) cc_final: 0.8340 (mpt-90) REVERT: A 1827 ARG cc_start: 0.9197 (OUTLIER) cc_final: 0.8334 (ttm110) REVERT: A 1865 MET cc_start: 0.7635 (OUTLIER) cc_final: 0.6990 (mmt) REVERT: A 1956 GLU cc_start: 0.8366 (OUTLIER) cc_final: 0.8130 (pm20) REVERT: A 1958 LEU cc_start: 0.9341 (OUTLIER) cc_final: 0.9120 (tp) REVERT: A 1977 TYR cc_start: 0.8392 (OUTLIER) cc_final: 0.7907 (t80) REVERT: A 1996 ARG cc_start: 0.8641 (OUTLIER) cc_final: 0.8004 (ptm-80) REVERT: A 2112 GLN cc_start: 0.8796 (OUTLIER) cc_final: 0.8486 (mp10) REVERT: A 2192 TYR cc_start: 0.8431 (OUTLIER) cc_final: 0.7504 (m-80) REVERT: A 2196 ASN cc_start: 0.9434 (OUTLIER) cc_final: 0.9193 (m-40) REVERT: A 2211 MET cc_start: 0.9095 (tmm) cc_final: 0.8829 (tmm) REVERT: A 2257 LEU cc_start: 0.9217 (OUTLIER) cc_final: 0.8832 (mt) REVERT: A 2364 PHE cc_start: 0.8808 (OUTLIER) cc_final: 0.7521 (m-80) REVERT: A 2368 LEU cc_start: 0.9173 (OUTLIER) cc_final: 0.8930 (mp) REVERT: A 2423 MET cc_start: 0.9002 (OUTLIER) cc_final: 0.8321 (tmm) REVERT: A 2457 LEU cc_start: 0.9461 (OUTLIER) cc_final: 0.9173 (tt) REVERT: A 2472 LEU cc_start: 0.9387 (OUTLIER) cc_final: 0.9106 (pp) REVERT: A 2757 LYS cc_start: -0.5711 (OUTLIER) cc_final: -0.6041 (tmmt) REVERT: A 2790 MET cc_start: 0.3474 (mpp) cc_final: 0.3166 (mpp) REVERT: A 2800 LYS cc_start: 0.4993 (OUTLIER) cc_final: 0.3816 (ptmm) REVERT: A 2920 ARG cc_start: 0.4963 (OUTLIER) cc_final: 0.4574 (pmt-80) REVERT: A 3670 GLU cc_start: 0.8563 (OUTLIER) cc_final: 0.7810 (mp0) REVERT: A 3694 LYS cc_start: 0.9160 (OUTLIER) cc_final: 0.8912 (mmmm) REVERT: A 3756 LYS cc_start: 0.8518 (OUTLIER) cc_final: 0.8222 (mtmm) REVERT: A 3771 HIS cc_start: 0.6989 (OUTLIER) cc_final: 0.6666 (t70) REVERT: A 3811 GLU cc_start: 0.7976 (OUTLIER) cc_final: 0.7571 (pt0) REVERT: A 3854 GLU cc_start: 0.7045 (OUTLIER) cc_final: 0.6573 (mm-30) REVERT: A 3902 TYR cc_start: 0.9254 (OUTLIER) cc_final: 0.8964 (t80) REVERT: A 3948 LYS cc_start: 0.9138 (OUTLIER) cc_final: 0.8894 (mtpp) REVERT: A 3967 GLU cc_start: 0.9277 (OUTLIER) cc_final: 0.8923 (tp30) REVERT: A 4009 GLN cc_start: 0.8966 (OUTLIER) cc_final: 0.8360 (mt0) REVERT: A 4042 ARG cc_start: 0.8626 (OUTLIER) cc_final: 0.8104 (mtm-85) REVERT: A 4090 LYS cc_start: 0.8505 (OUTLIER) cc_final: 0.8219 (ttmt) REVERT: A 4172 GLU cc_start: 0.8955 (OUTLIER) cc_final: 0.8652 (mm-30) REVERT: A 4208 PRO cc_start: 0.8458 (OUTLIER) cc_final: 0.8135 (Cg_endo) REVERT: A 4244 GLU cc_start: 0.8934 (tp30) cc_final: 0.8734 (tm-30) REVERT: A 4580 TYR cc_start: 0.8570 (OUTLIER) cc_final: 0.7578 (m-80) REVERT: A 4671 PHE cc_start: 0.9403 (OUTLIER) cc_final: 0.9174 (t80) REVERT: A 4680 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8891 (ttmm) REVERT: A 4684 ASP cc_start: 0.9370 (OUTLIER) cc_final: 0.8990 (p0) REVERT: A 4796 MET cc_start: 0.8039 (OUTLIER) cc_final: 0.7181 (tmm) REVERT: A 4860 ARG cc_start: 0.7332 (OUTLIER) cc_final: 0.7104 (mtp180) REVERT: A 4869 GLU cc_start: 0.5444 (OUTLIER) cc_final: 0.5210 (mm-30) REVERT: A 4886 HIS cc_start: 0.8451 (OUTLIER) cc_final: 0.7683 (t-90) REVERT: A 4949 GLN cc_start: 0.8475 (OUTLIER) cc_final: 0.7639 (tp40) REVERT: A 4960 ILE cc_start: 0.9195 (OUTLIER) cc_final: 0.8811 (mm) REVERT: A 4961 CYS cc_start: 0.8860 (OUTLIER) cc_final: 0.3993 (t) REVERT: A 4978 HIS cc_start: 0.7730 (OUTLIER) cc_final: 0.6993 (t70) REVERT: A 4997 ASN cc_start: 0.8884 (OUTLIER) cc_final: 0.8585 (t0) REVERT: A 5006 GLN cc_start: 0.9211 (OUTLIER) cc_final: 0.8928 (mp10) REVERT: B 124 SER cc_start: 0.8572 (OUTLIER) cc_final: 0.8207 (m) REVERT: B 139 GLU cc_start: 0.8690 (OUTLIER) cc_final: 0.8404 (tp30) REVERT: B 150 MET cc_start: 0.8399 (OUTLIER) cc_final: 0.7043 (mpt) REVERT: B 244 LEU cc_start: 0.8966 (OUTLIER) cc_final: 0.8691 (pt) REVERT: B 257 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7497 (mtt180) REVERT: B 261 ARG cc_start: 0.8489 (OUTLIER) cc_final: 0.7484 (ttt-90) REVERT: B 265 LEU cc_start: 0.8758 (OUTLIER) cc_final: 0.8362 (mm) REVERT: B 302 VAL cc_start: 0.9270 (OUTLIER) cc_final: 0.8923 (p) REVERT: B 317 ARG cc_start: 0.8696 (OUTLIER) cc_final: 0.8311 (mtt90) REVERT: B 340 LYS cc_start: 0.9144 (OUTLIER) cc_final: 0.8732 (ttmm) REVERT: B 341 TYR cc_start: 0.7966 (OUTLIER) cc_final: 0.7121 (t80) REVERT: B 359 TYR cc_start: 0.7542 (OUTLIER) cc_final: 0.6806 (p90) REVERT: B 383 HIS cc_start: 0.8402 (OUTLIER) cc_final: 0.7837 (t70) REVERT: B 453 GLU cc_start: 0.9161 (OUTLIER) cc_final: 0.8516 (pm20) REVERT: B 545 ASP cc_start: 0.8695 (OUTLIER) cc_final: 0.8398 (m-30) REVERT: B 616 SER cc_start: 0.9340 (OUTLIER) cc_final: 0.9088 (t) REVERT: B 629 ARG cc_start: 0.9182 (OUTLIER) cc_final: 0.8906 (mtt90) REVERT: B 632 LEU cc_start: 0.9066 (OUTLIER) cc_final: 0.8799 (mp) REVERT: B 688 LEU cc_start: 0.9598 (OUTLIER) cc_final: 0.9216 (tp) REVERT: B 758 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7668 (mmm-85) REVERT: B 771 PHE cc_start: 0.9607 (OUTLIER) cc_final: 0.9268 (p90) REVERT: B 812 HIS cc_start: 0.6202 (OUTLIER) cc_final: 0.5875 (t-170) REVERT: B 813 GLU cc_start: 0.6579 (OUTLIER) cc_final: 0.5364 (tm-30) REVERT: B 835 ARG cc_start: 0.7956 (OUTLIER) cc_final: 0.7571 (ptm-80) REVERT: B 880 GLU cc_start: 0.6752 (OUTLIER) cc_final: 0.5353 (pp20) REVERT: B 904 HIS cc_start: 0.3605 (OUTLIER) cc_final: 0.3320 (m170) REVERT: B 960 MET cc_start: 0.3958 (mmm) cc_final: 0.3601 (mmm) REVERT: B 965 TYR cc_start: 0.3468 (OUTLIER) cc_final: 0.3116 (t80) REVERT: B 1036 ARG cc_start: 0.8859 (OUTLIER) cc_final: 0.8658 (ttm110) REVERT: B 1051 TYR cc_start: 0.5741 (OUTLIER) cc_final: 0.4664 (m-80) REVERT: B 1078 GLU cc_start: 0.9182 (OUTLIER) cc_final: 0.8587 (tp30) REVERT: B 1101 ARG cc_start: 0.9339 (OUTLIER) cc_final: 0.8866 (mtt180) REVERT: B 1109 LEU cc_start: 0.9392 (OUTLIER) cc_final: 0.9123 (tp) REVERT: B 1137 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8251 (mm-30) REVERT: B 1164 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8811 (pt) REVERT: B 1176 GLU cc_start: 0.7033 (OUTLIER) cc_final: 0.6568 (mp0) REVERT: B 1202 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9304 (tp) REVERT: B 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8981 (tt) REVERT: B 1230 MET cc_start: 0.8753 (OUTLIER) cc_final: 0.8223 (mtt) REVERT: B 1636 MET cc_start: 0.8648 (OUTLIER) cc_final: 0.7681 (ppp) REVERT: B 1639 LEU cc_start: 0.9670 (OUTLIER) cc_final: 0.9246 (mp) REVERT: B 1646 ARG cc_start: 0.9011 (OUTLIER) cc_final: 0.8134 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9767 (OUTLIER) cc_final: 0.9549 (mp) REVERT: B 1728 ARG cc_start: 0.9049 (OUTLIER) cc_final: 0.8028 (ttp80) REVERT: B 1730 MET cc_start: 0.9145 (tpp) cc_final: 0.8925 (tpp) REVERT: B 1734 TYR cc_start: 0.9193 (OUTLIER) cc_final: 0.8420 (m-10) REVERT: B 1772 ARG cc_start: 0.8953 (OUTLIER) cc_final: 0.8358 (mpt-90) REVERT: B 1798 LEU cc_start: 0.8756 (OUTLIER) cc_final: 0.8471 (mp) REVERT: B 1813 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8678 (ttp80) REVERT: B 1956 GLU cc_start: 0.8345 (OUTLIER) cc_final: 0.8133 (pm20) REVERT: B 1958 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.9109 (tp) REVERT: B 1977 TYR cc_start: 0.8365 (OUTLIER) cc_final: 0.7677 (t80) REVERT: B 1996 ARG cc_start: 0.8562 (OUTLIER) cc_final: 0.7982 (ptm-80) REVERT: B 2188 ASN cc_start: 0.9205 (OUTLIER) cc_final: 0.8431 (t0) REVERT: B 2192 TYR cc_start: 0.8510 (OUTLIER) cc_final: 0.7568 (m-80) REVERT: B 2211 MET cc_start: 0.9153 (tmm) cc_final: 0.8926 (ttt) REVERT: B 2257 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8859 (mt) REVERT: B 2364 PHE cc_start: 0.8816 (OUTLIER) cc_final: 0.7575 (m-80) REVERT: B 2368 LEU cc_start: 0.9131 (OUTLIER) cc_final: 0.8882 (mp) REVERT: B 2472 LEU cc_start: 0.9376 (OUTLIER) cc_final: 0.9088 (pp) REVERT: B 2757 LYS cc_start: -0.5431 (OUTLIER) cc_final: -0.5899 (tmmt) REVERT: B 2790 MET cc_start: 0.3431 (mpp) cc_final: 0.3216 (mpp) REVERT: B 2800 LYS cc_start: 0.5078 (OUTLIER) cc_final: 0.3915 (ptmm) REVERT: B 2888 ARG cc_start: 0.7904 (OUTLIER) cc_final: 0.7500 (tpt170) REVERT: B 2915 GLU cc_start: 0.7264 (OUTLIER) cc_final: 0.6467 (tp30) REVERT: B 2920 ARG cc_start: 0.5794 (OUTLIER) cc_final: 0.5539 (pmt-80) REVERT: B 2925 GLU cc_start: 0.3762 (OUTLIER) cc_final: 0.3556 (mt-10) REVERT: B 3670 GLU cc_start: 0.8517 (OUTLIER) cc_final: 0.7805 (mp0) REVERT: B 3694 LYS cc_start: 0.9139 (OUTLIER) cc_final: 0.8878 (mmmm) REVERT: B 3756 LYS cc_start: 0.8580 (OUTLIER) cc_final: 0.8312 (mtmm) REVERT: B 3771 HIS cc_start: 0.6891 (OUTLIER) cc_final: 0.6562 (t70) REVERT: B 3811 GLU cc_start: 0.7990 (OUTLIER) cc_final: 0.7577 (pt0) REVERT: B 3854 GLU cc_start: 0.7147 (OUTLIER) cc_final: 0.6606 (mm-30) REVERT: B 3902 TYR cc_start: 0.9254 (OUTLIER) cc_final: 0.8972 (t80) REVERT: B 3967 GLU cc_start: 0.9261 (OUTLIER) cc_final: 0.8922 (tp30) REVERT: B 4009 GLN cc_start: 0.8903 (OUTLIER) cc_final: 0.8212 (mt0) REVERT: B 4090 LYS cc_start: 0.8496 (OUTLIER) cc_final: 0.8219 (ttmt) REVERT: B 4208 PRO cc_start: 0.8451 (OUTLIER) cc_final: 0.8152 (Cg_endo) REVERT: B 4580 TYR cc_start: 0.8613 (OUTLIER) cc_final: 0.7787 (m-80) REVERT: B 4796 MET cc_start: 0.8049 (OUTLIER) cc_final: 0.7197 (tmm) REVERT: B 4821 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.8495 (mmmt) REVERT: B 4886 HIS cc_start: 0.8529 (OUTLIER) cc_final: 0.7820 (t-90) REVERT: B 4949 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.7674 (tp40) REVERT: B 4960 ILE cc_start: 0.9194 (OUTLIER) cc_final: 0.8835 (mm) REVERT: B 4961 CYS cc_start: 0.9339 (OUTLIER) cc_final: 0.5357 (t) REVERT: B 4997 ASN cc_start: 0.8907 (OUTLIER) cc_final: 0.8582 (t0) REVERT: B 5006 GLN cc_start: 0.9204 (OUTLIER) cc_final: 0.8918 (mp10) REVERT: C 139 GLU cc_start: 0.8617 (OUTLIER) cc_final: 0.8394 (tp30) REVERT: C 150 MET cc_start: 0.8393 (OUTLIER) cc_final: 0.6953 (mpp) REVERT: C 164 ARG cc_start: 0.8295 (OUTLIER) cc_final: 0.7590 (mtp180) REVERT: C 261 ARG cc_start: 0.8607 (OUTLIER) cc_final: 0.7616 (ttt-90) REVERT: C 265 LEU cc_start: 0.8739 (OUTLIER) cc_final: 0.8327 (mm) REVERT: C 302 VAL cc_start: 0.9283 (OUTLIER) cc_final: 0.8948 (p) REVERT: C 317 ARG cc_start: 0.8709 (OUTLIER) cc_final: 0.8303 (mtt90) REVERT: C 340 LYS cc_start: 0.9184 (OUTLIER) cc_final: 0.8742 (ttmm) REVERT: C 359 TYR cc_start: 0.7492 (OUTLIER) cc_final: 0.6753 (p90) REVERT: C 374 LYS cc_start: 0.8133 (OUTLIER) cc_final: 0.7746 (ptpp) REVERT: C 383 HIS cc_start: 0.8293 (OUTLIER) cc_final: 0.7767 (t70) REVERT: C 453 GLU cc_start: 0.9156 (OUTLIER) cc_final: 0.8492 (pm20) REVERT: C 545 ASP cc_start: 0.8696 (OUTLIER) cc_final: 0.8431 (m-30) REVERT: C 616 SER cc_start: 0.9359 (OUTLIER) cc_final: 0.9132 (t) REVERT: C 623 GLU cc_start: 0.7947 (OUTLIER) cc_final: 0.7597 (mt-10) REVERT: C 629 ARG cc_start: 0.9214 (OUTLIER) cc_final: 0.8944 (mtt90) REVERT: C 645 ARG cc_start: 0.9326 (OUTLIER) cc_final: 0.9077 (ttp-170) REVERT: C 661 LYS cc_start: 0.8396 (OUTLIER) cc_final: 0.8014 (mmmt) REVERT: C 758 ARG cc_start: 0.8129 (OUTLIER) cc_final: 0.7506 (mtm-85) REVERT: C 812 HIS cc_start: 0.6258 (OUTLIER) cc_final: 0.6002 (t-170) REVERT: C 813 GLU cc_start: 0.6472 (OUTLIER) cc_final: 0.5244 (tm-30) REVERT: C 960 MET cc_start: 0.3558 (mmm) cc_final: 0.3233 (mmm) REVERT: C 965 TYR cc_start: 0.3959 (OUTLIER) cc_final: 0.3620 (t80) REVERT: C 1051 TYR cc_start: 0.5854 (OUTLIER) cc_final: 0.4731 (m-80) REVERT: C 1078 GLU cc_start: 0.9258 (OUTLIER) cc_final: 0.8717 (tp30) REVERT: C 1101 ARG cc_start: 0.9344 (OUTLIER) cc_final: 0.8864 (mtt180) REVERT: C 1109 LEU cc_start: 0.9394 (OUTLIER) cc_final: 0.9101 (tp) REVERT: C 1137 GLU cc_start: 0.8894 (OUTLIER) cc_final: 0.8227 (mm-30) REVERT: C 1164 LEU cc_start: 0.9167 (OUTLIER) cc_final: 0.8780 (pt) REVERT: C 1202 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9315 (tp) REVERT: C 1211 LEU cc_start: 0.9215 (OUTLIER) cc_final: 0.8996 (tt) REVERT: C 1230 MET cc_start: 0.8737 (OUTLIER) cc_final: 0.8324 (mtt) REVERT: C 1272 LEU cc_start: 0.9418 (OUTLIER) cc_final: 0.9184 (tp) REVERT: C 1636 MET cc_start: 0.8667 (OUTLIER) cc_final: 0.7665 (ppp) REVERT: C 1646 ARG cc_start: 0.8934 (OUTLIER) cc_final: 0.8278 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9043 (OUTLIER) cc_final: 0.8036 (ttp80) REVERT: C 1734 TYR cc_start: 0.9208 (OUTLIER) cc_final: 0.8537 (m-80) REVERT: C 1798 LEU cc_start: 0.8770 (OUTLIER) cc_final: 0.8494 (mp) REVERT: C 1956 GLU cc_start: 0.8334 (OUTLIER) cc_final: 0.8051 (pm20) REVERT: C 1958 LEU cc_start: 0.9318 (OUTLIER) cc_final: 0.9086 (tp) REVERT: C 1977 TYR cc_start: 0.8428 (OUTLIER) cc_final: 0.7992 (t80) REVERT: C 1996 ARG cc_start: 0.8592 (OUTLIER) cc_final: 0.8037 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9211 (OUTLIER) cc_final: 0.8793 (t0) REVERT: C 2190 VAL cc_start: 0.9203 (OUTLIER) cc_final: 0.9000 (t) REVERT: C 2192 TYR cc_start: 0.8490 (OUTLIER) cc_final: 0.7700 (m-80) REVERT: C 2208 MET cc_start: 0.8658 (tpp) cc_final: 0.8362 (tpp) REVERT: C 2211 MET cc_start: 0.9067 (tmm) cc_final: 0.8775 (tmm) REVERT: C 2364 PHE cc_start: 0.8763 (OUTLIER) cc_final: 0.7411 (m-80) REVERT: C 2368 LEU cc_start: 0.9134 (OUTLIER) cc_final: 0.8883 (mp) REVERT: C 2457 LEU cc_start: 0.9393 (OUTLIER) cc_final: 0.9098 (tt) REVERT: C 2764 GLU cc_start: 0.4572 (OUTLIER) cc_final: 0.3882 (tm-30) REVERT: C 2790 MET cc_start: 0.3748 (mpp) cc_final: 0.3483 (mpp) REVERT: C 3639 THR cc_start: 0.8011 (OUTLIER) cc_final: 0.7763 (m) REVERT: C 3670 GLU cc_start: 0.8588 (OUTLIER) cc_final: 0.7768 (mp0) REVERT: C 3694 LYS cc_start: 0.9152 (OUTLIER) cc_final: 0.8902 (mmmm) REVERT: C 3707 ARG cc_start: 0.9206 (OUTLIER) cc_final: 0.8680 (ttt90) REVERT: C 3756 LYS cc_start: 0.8617 (OUTLIER) cc_final: 0.8328 (mtmm) REVERT: C 3771 HIS cc_start: 0.6853 (OUTLIER) cc_final: 0.6560 (t70) REVERT: C 3854 GLU cc_start: 0.7158 (OUTLIER) cc_final: 0.6676 (mm-30) REVERT: C 3902 TYR cc_start: 0.9241 (OUTLIER) cc_final: 0.8893 (t80) REVERT: C 3948 LYS cc_start: 0.9130 (OUTLIER) cc_final: 0.8850 (mtpp) REVERT: C 3967 GLU cc_start: 0.9286 (OUTLIER) cc_final: 0.8921 (tp30) REVERT: C 4009 GLN cc_start: 0.9009 (OUTLIER) cc_final: 0.8138 (mt0) REVERT: C 4090 LYS cc_start: 0.8446 (OUTLIER) cc_final: 0.8098 (ttmt) REVERT: C 4109 GLN cc_start: 0.8956 (OUTLIER) cc_final: 0.8476 (pp30) REVERT: C 4110 PHE cc_start: 0.9081 (OUTLIER) cc_final: 0.8548 (t80) REVERT: C 4229 GLU cc_start: 0.8882 (OUTLIER) cc_final: 0.8371 (pm20) REVERT: C 4580 TYR cc_start: 0.8495 (OUTLIER) cc_final: 0.7656 (m-80) REVERT: C 4796 MET cc_start: 0.8059 (OUTLIER) cc_final: 0.7285 (tmm) REVERT: C 4850 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8801 (mm) REVERT: C 4869 GLU cc_start: 0.5829 (OUTLIER) cc_final: 0.5558 (mm-30) REVERT: C 4886 HIS cc_start: 0.8453 (OUTLIER) cc_final: 0.7715 (t-90) REVERT: C 4949 GLN cc_start: 0.8446 (OUTLIER) cc_final: 0.7591 (tp40) REVERT: C 4951 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8809 (ttpp) REVERT: C 4960 ILE cc_start: 0.9177 (OUTLIER) cc_final: 0.8825 (mm) REVERT: C 4961 CYS cc_start: 0.9344 (OUTLIER) cc_final: 0.5579 (t) REVERT: C 4997 ASN cc_start: 0.8917 (OUTLIER) cc_final: 0.8588 (t0) REVERT: C 5006 GLN cc_start: 0.9180 (OUTLIER) cc_final: 0.8899 (mp10) REVERT: D 139 GLU cc_start: 0.8612 (OUTLIER) cc_final: 0.8309 (tp30) REVERT: D 150 MET cc_start: 0.8379 (OUTLIER) cc_final: 0.6831 (mpt) REVERT: D 164 ARG cc_start: 0.8266 (OUTLIER) cc_final: 0.7568 (mtp180) REVERT: D 257 ARG cc_start: 0.8108 (OUTLIER) cc_final: 0.7472 (mtt180) REVERT: D 261 ARG cc_start: 0.8614 (OUTLIER) cc_final: 0.7602 (ttt-90) REVERT: D 265 LEU cc_start: 0.8710 (OUTLIER) cc_final: 0.8300 (mm) REVERT: D 299 LEU cc_start: 0.7204 (OUTLIER) cc_final: 0.6641 (mp) REVERT: D 302 VAL cc_start: 0.9280 (OUTLIER) cc_final: 0.8930 (p) REVERT: D 317 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.8354 (mtt90) REVERT: D 340 LYS cc_start: 0.9145 (OUTLIER) cc_final: 0.8705 (ttmm) REVERT: D 358 THR cc_start: 0.7898 (OUTLIER) cc_final: 0.7643 (p) REVERT: D 359 TYR cc_start: 0.7472 (OUTLIER) cc_final: 0.6725 (p90) REVERT: D 374 LYS cc_start: 0.8187 (OUTLIER) cc_final: 0.7732 (ptpp) REVERT: D 453 GLU cc_start: 0.9156 (OUTLIER) cc_final: 0.8498 (pm20) REVERT: D 616 SER cc_start: 0.9361 (OUTLIER) cc_final: 0.9135 (t) REVERT: D 623 GLU cc_start: 0.8037 (OUTLIER) cc_final: 0.7724 (mt-10) REVERT: D 629 ARG cc_start: 0.9177 (OUTLIER) cc_final: 0.8892 (mtt90) REVERT: D 661 LYS cc_start: 0.8409 (OUTLIER) cc_final: 0.8020 (mmmt) REVERT: D 688 LEU cc_start: 0.9489 (OUTLIER) cc_final: 0.9050 (tp) REVERT: D 758 ARG cc_start: 0.8062 (OUTLIER) cc_final: 0.7704 (mmm-85) REVERT: D 771 PHE cc_start: 0.9605 (OUTLIER) cc_final: 0.9111 (p90) REVERT: D 813 GLU cc_start: 0.6450 (OUTLIER) cc_final: 0.5247 (tm-30) REVERT: D 965 TYR cc_start: 0.3764 (OUTLIER) cc_final: 0.3535 (t80) REVERT: D 1036 ARG cc_start: 0.8816 (OUTLIER) cc_final: 0.8462 (ttm110) REVERT: D 1049 TYR cc_start: 0.4346 (OUTLIER) cc_final: 0.4027 (m-80) REVERT: D 1051 TYR cc_start: 0.5763 (OUTLIER) cc_final: 0.4459 (m-80) REVERT: D 1109 LEU cc_start: 0.9397 (OUTLIER) cc_final: 0.9106 (tp) REVERT: D 1137 GLU cc_start: 0.8886 (OUTLIER) cc_final: 0.8255 (mm-30) REVERT: D 1164 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8803 (pt) REVERT: D 1202 LEU cc_start: 0.9604 (OUTLIER) cc_final: 0.9327 (tp) REVERT: D 1230 MET cc_start: 0.8734 (OUTLIER) cc_final: 0.8127 (mtt) REVERT: D 1272 LEU cc_start: 0.9445 (OUTLIER) cc_final: 0.9215 (tp) REVERT: D 1636 MET cc_start: 0.8661 (OUTLIER) cc_final: 0.7793 (ppp) REVERT: D 1646 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.8127 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9054 (OUTLIER) cc_final: 0.8054 (ttp80) REVERT: D 1734 TYR cc_start: 0.9200 (OUTLIER) cc_final: 0.8429 (m-10) REVERT: D 1798 LEU cc_start: 0.8791 (OUTLIER) cc_final: 0.8500 (mp) REVERT: D 1956 GLU cc_start: 0.8293 (OUTLIER) cc_final: 0.8077 (pm20) REVERT: D 1958 LEU cc_start: 0.9315 (OUTLIER) cc_final: 0.9098 (tp) REVERT: D 1977 TYR cc_start: 0.8452 (OUTLIER) cc_final: 0.7976 (t80) REVERT: D 1996 ARG cc_start: 0.8482 (OUTLIER) cc_final: 0.8008 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9226 (OUTLIER) cc_final: 0.8800 (t0) REVERT: D 2190 VAL cc_start: 0.9237 (OUTLIER) cc_final: 0.9031 (t) REVERT: D 2192 TYR cc_start: 0.8505 (OUTLIER) cc_final: 0.7722 (m-80) REVERT: D 2196 ASN cc_start: 0.9362 (OUTLIER) cc_final: 0.9155 (m-40) REVERT: D 2208 MET cc_start: 0.8653 (tpp) cc_final: 0.8336 (tpp) REVERT: D 2211 MET cc_start: 0.9064 (tmm) cc_final: 0.8761 (tmm) REVERT: D 2364 PHE cc_start: 0.8749 (OUTLIER) cc_final: 0.7375 (m-80) REVERT: D 2368 LEU cc_start: 0.9074 (OUTLIER) cc_final: 0.8783 (mp) REVERT: D 2457 LEU cc_start: 0.9366 (OUTLIER) cc_final: 0.9125 (tt) REVERT: D 2790 MET cc_start: 0.3496 (mpp) cc_final: 0.3155 (mpp) REVERT: D 2800 LYS cc_start: 0.4754 (OUTLIER) cc_final: 0.3735 (ptmm) REVERT: D 3639 THR cc_start: 0.7967 (OUTLIER) cc_final: 0.7733 (m) REVERT: D 3670 GLU cc_start: 0.8566 (OUTLIER) cc_final: 0.7807 (mp0) REVERT: D 3694 LYS cc_start: 0.9145 (OUTLIER) cc_final: 0.8893 (mmmm) REVERT: D 3707 ARG cc_start: 0.9212 (OUTLIER) cc_final: 0.8723 (ttt90) REVERT: D 3713 LYS cc_start: 0.8923 (ptmt) cc_final: 0.8259 (pttt) REVERT: D 3756 LYS cc_start: 0.8616 (OUTLIER) cc_final: 0.8332 (mtmm) REVERT: D 3771 HIS cc_start: 0.6860 (OUTLIER) cc_final: 0.6531 (t70) REVERT: D 3854 GLU cc_start: 0.7138 (OUTLIER) cc_final: 0.6597 (mm-30) REVERT: D 3902 TYR cc_start: 0.9273 (OUTLIER) cc_final: 0.8913 (t80) REVERT: D 3948 LYS cc_start: 0.9106 (OUTLIER) cc_final: 0.8842 (mtpp) REVERT: D 3967 GLU cc_start: 0.9286 (OUTLIER) cc_final: 0.8950 (tp30) REVERT: D 4009 GLN cc_start: 0.8947 (OUTLIER) cc_final: 0.8068 (mt0) REVERT: D 4063 ASP cc_start: 0.9261 (OUTLIER) cc_final: 0.9020 (t70) REVERT: D 4090 LYS cc_start: 0.8457 (OUTLIER) cc_final: 0.8104 (ttmt) REVERT: D 4110 PHE cc_start: 0.9081 (OUTLIER) cc_final: 0.8598 (t80) REVERT: D 4224 GLU cc_start: 0.9156 (OUTLIER) cc_final: 0.7994 (pp20) REVERT: D 4229 GLU cc_start: 0.8960 (OUTLIER) cc_final: 0.8481 (pm20) REVERT: D 4580 TYR cc_start: 0.8541 (OUTLIER) cc_final: 0.7728 (m-80) REVERT: D 4662 ASN cc_start: 0.9549 (OUTLIER) cc_final: 0.9210 (t0) REVERT: D 4735 GLU cc_start: 0.8813 (OUTLIER) cc_final: 0.8125 (tm-30) REVERT: D 4796 MET cc_start: 0.7922 (OUTLIER) cc_final: 0.7266 (tmm) REVERT: D 4869 GLU cc_start: 0.5880 (OUTLIER) cc_final: 0.5677 (mm-30) REVERT: D 4886 HIS cc_start: 0.8461 (OUTLIER) cc_final: 0.7765 (t-90) REVERT: D 4949 GLN cc_start: 0.8520 (OUTLIER) cc_final: 0.7685 (tp40) REVERT: D 4951 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8809 (ttpp) REVERT: D 4960 ILE cc_start: 0.9199 (OUTLIER) cc_final: 0.8815 (mm) REVERT: D 4961 CYS cc_start: 0.9333 (OUTLIER) cc_final: 0.5338 (t) REVERT: D 4997 ASN cc_start: 0.8918 (OUTLIER) cc_final: 0.8559 (t0) outliers start: 3122 outliers final: 2365 residues processed: 3565 average time/residue: 0.8987 time to fit residues: 5729.5628 Evaluate side-chains 3279 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2682 poor density : 597 time to evaluate : 9.069 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 84 ASN Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 202 MET Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 261 ARG Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL 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 308 HIS Chi-restraints excluded: chain A residue 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 323 LEU Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 449 ILE Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 607 CYS Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 633 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 645 ARG Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 732 SER Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS 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 813 GLU Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 950 LEU Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1052 ASN Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1633 PRO Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1644 GLU Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1691 GLN Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1713 ASP 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS Chi-restraints excluded: chain A residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2112 GLN Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2179 ILE Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2355 ARG Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2757 LYS Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2800 LYS Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3854 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4042 ARG Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4180 ARG 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 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4208 PRO Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4229 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4680 LYS Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4924 VAL Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4944 ARG Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 218 HIS Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 261 ARG Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL 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 308 HIS Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 323 LEU Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 449 ILE Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 607 CYS Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 732 SER Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 904 HIS Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 941 MET Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 950 LEU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1028 ASP Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1052 ASN Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1109 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1644 GLU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1713 ASP 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1931 LEU Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1956 GLU Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2179 ILE Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2355 ARG Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2757 LYS Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2909 ASP Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2925 GLU Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 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 3809 ASN Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4208 PRO Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4214 LYS Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4229 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4702 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4833 ASN Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4899 ASP Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4944 ARG Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU 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 122 THR Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU 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 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 241 GLN Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 323 LEU Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 607 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 632 LEU Chi-restraints excluded: chain C residue 633 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 645 ARG Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 941 MET Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1028 ASP Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1633 PRO Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2190 VAL Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2355 ARG Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2423 MET 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 2461 VAL Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2764 GLU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3825 GLU Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4229 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU 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 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4702 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4944 ARG Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 84 ASN Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 218 HIS Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL 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 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 323 LEU Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 340 LYS Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 607 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 623 GLU Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 740 PRO Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 950 LEU Chi-restraints excluded: chain D residue 955 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1028 ASP Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1052 ASN Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU 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 1825 HIS 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1956 GLU Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2190 VAL Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2196 ASN Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3839 CYS Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4210 VAL Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4229 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4555 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 4581 LYS Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4665 LYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 520 ASN ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 866 HIS ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 520 ASN ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 866 HIS ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2125 HIS B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3889 GLN ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2125 HIS C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2763 HIS ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2788 HIS ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2763 HIS ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2788 HIS ** D3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3833 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8508 moved from start: 1.0057 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.342 119272 Z= 3.626 Angle : 3.260 35.130 162652 Z= 1.648 Chirality : 0.156 0.772 19028 Planarity : 0.020 0.211 21412 Dihedral : 14.859 179.822 17614 Min Nonbonded Distance : 1.738 Molprobity Statistics. All-atom Clashscore : 94.07 Ramachandran Plot: Outliers : 2.74 % Allowed : 36.63 % Favored : 60.63 % Rotamer: Outliers : 30.75 % Allowed : 25.11 % Favored : 44.14 % Cbeta Deviations : 0.90 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 10.86 % Twisted General : 3.98 % 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: -7.26 (0.05), residues: 12804 helix: -4.35 (0.04), residues: 5720 sheet: -4.33 (0.12), residues: 1200 loop : -5.48 (0.05), residues: 5884 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.055 0.007 HIS A3771 PHE 0.140 0.011 PHE D1238 TYR 0.123 0.010 TYR D 692 ARG 0.041 0.003 ARG A2806 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3680 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3091 poor density : 589 time to evaluate : 9.346 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 124 SER cc_start: 0.8562 (OUTLIER) cc_final: 0.8199 (m) REVERT: A 139 GLU cc_start: 0.8650 (OUTLIER) cc_final: 0.8363 (tp30) REVERT: A 150 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.7024 (mpt) REVERT: A 244 LEU cc_start: 0.8995 (OUTLIER) cc_final: 0.8724 (pt) REVERT: A 257 ARG cc_start: 0.8172 (OUTLIER) cc_final: 0.7577 (mtt180) REVERT: A 261 ARG cc_start: 0.8536 (OUTLIER) cc_final: 0.7528 (ttt-90) REVERT: A 265 LEU cc_start: 0.8741 (OUTLIER) cc_final: 0.8378 (mm) REVERT: A 276 TRP cc_start: 0.7881 (OUTLIER) cc_final: 0.7536 (m100) REVERT: A 302 VAL cc_start: 0.9279 (OUTLIER) cc_final: 0.8927 (p) REVERT: A 317 ARG cc_start: 0.8703 (OUTLIER) cc_final: 0.8379 (mtt90) REVERT: A 340 LYS cc_start: 0.9144 (OUTLIER) cc_final: 0.8749 (ttmm) REVERT: A 341 TYR cc_start: 0.7785 (OUTLIER) cc_final: 0.7214 (t80) REVERT: A 359 TYR cc_start: 0.7625 (OUTLIER) cc_final: 0.6886 (p90) REVERT: A 453 GLU cc_start: 0.9162 (OUTLIER) cc_final: 0.8433 (pm20) REVERT: A 545 ASP cc_start: 0.8656 (OUTLIER) cc_final: 0.8400 (m-30) REVERT: A 616 SER cc_start: 0.9353 (OUTLIER) cc_final: 0.9131 (t) REVERT: A 623 GLU cc_start: 0.7798 (OUTLIER) cc_final: 0.7555 (mt-10) REVERT: A 629 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8654 (mtt90) REVERT: A 661 LYS cc_start: 0.8289 (OUTLIER) cc_final: 0.7811 (mtmt) REVERT: A 758 ARG cc_start: 0.8164 (OUTLIER) cc_final: 0.7564 (mtm-85) REVERT: A 771 PHE cc_start: 0.9602 (OUTLIER) cc_final: 0.9163 (p90) REVERT: A 812 HIS cc_start: 0.6433 (OUTLIER) cc_final: 0.6120 (t-170) REVERT: A 971 ASP cc_start: 0.4765 (OUTLIER) cc_final: 0.4299 (m-30) REVERT: A 1036 ARG cc_start: 0.8874 (OUTLIER) cc_final: 0.8515 (ttm110) REVERT: A 1051 TYR cc_start: 0.5706 (OUTLIER) cc_final: 0.4685 (m-80) REVERT: A 1078 GLU cc_start: 0.9197 (OUTLIER) cc_final: 0.8658 (tp30) REVERT: A 1101 ARG cc_start: 0.9359 (OUTLIER) cc_final: 0.8862 (mtt180) REVERT: A 1109 LEU cc_start: 0.9385 (OUTLIER) cc_final: 0.9132 (tp) REVERT: A 1137 GLU cc_start: 0.8892 (OUTLIER) cc_final: 0.8222 (mm-30) REVERT: A 1164 LEU cc_start: 0.9178 (OUTLIER) cc_final: 0.8841 (pt) REVERT: A 1176 GLU cc_start: 0.7116 (OUTLIER) cc_final: 0.6652 (mp0) REVERT: A 1202 LEU cc_start: 0.9597 (OUTLIER) cc_final: 0.9299 (tp) REVERT: A 1211 LEU cc_start: 0.9201 (OUTLIER) cc_final: 0.8989 (tt) REVERT: A 1636 MET cc_start: 0.8670 (OUTLIER) cc_final: 0.7668 (ppp) REVERT: A 1639 LEU cc_start: 0.9669 (OUTLIER) cc_final: 0.9234 (mp) REVERT: A 1646 ARG cc_start: 0.8954 (OUTLIER) cc_final: 0.8165 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9045 (OUTLIER) cc_final: 0.8165 (ttp80) REVERT: A 1734 TYR cc_start: 0.9175 (OUTLIER) cc_final: 0.8437 (m-10) REVERT: A 1772 ARG cc_start: 0.8924 (OUTLIER) cc_final: 0.8318 (mpt-90) REVERT: A 1827 ARG cc_start: 0.9198 (OUTLIER) cc_final: 0.8317 (ttm110) REVERT: A 1865 MET cc_start: 0.7596 (OUTLIER) cc_final: 0.6976 (mmt) REVERT: A 1956 GLU cc_start: 0.8404 (OUTLIER) cc_final: 0.8171 (pm20) REVERT: A 1958 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.9120 (tp) REVERT: A 1964 ARG cc_start: 0.8942 (OUTLIER) cc_final: 0.8649 (ptp-110) REVERT: A 1977 TYR cc_start: 0.8358 (OUTLIER) cc_final: 0.7700 (t80) REVERT: A 1996 ARG cc_start: 0.8525 (OUTLIER) cc_final: 0.7942 (ptm-80) REVERT: A 2112 GLN cc_start: 0.8790 (OUTLIER) cc_final: 0.8393 (mp10) REVERT: A 2192 TYR cc_start: 0.8452 (OUTLIER) cc_final: 0.7532 (m-80) REVERT: A 2196 ASN cc_start: 0.9433 (OUTLIER) cc_final: 0.9187 (m-40) REVERT: A 2215 LEU cc_start: 0.9178 (OUTLIER) cc_final: 0.8869 (pp) REVERT: A 2257 LEU cc_start: 0.9251 (OUTLIER) cc_final: 0.8877 (mt) REVERT: A 2364 PHE cc_start: 0.8816 (OUTLIER) cc_final: 0.7527 (m-80) REVERT: A 2368 LEU cc_start: 0.9222 (OUTLIER) cc_final: 0.8977 (mp) REVERT: A 2457 LEU cc_start: 0.9420 (OUTLIER) cc_final: 0.9171 (tt) REVERT: A 2472 LEU cc_start: 0.9383 (OUTLIER) cc_final: 0.9092 (pp) REVERT: A 2757 LYS cc_start: -0.5402 (OUTLIER) cc_final: -0.5766 (tmmt) REVERT: A 2762 THR cc_start: -0.0838 (OUTLIER) cc_final: -0.1229 (m) REVERT: A 2790 MET cc_start: 0.3585 (mpp) cc_final: 0.3289 (mpp) REVERT: A 2800 LYS cc_start: 0.4911 (OUTLIER) cc_final: 0.4514 (mmmt) REVERT: A 2920 ARG cc_start: 0.5407 (OUTLIER) cc_final: 0.4793 (pmt-80) REVERT: A 3670 GLU cc_start: 0.8558 (OUTLIER) cc_final: 0.7804 (mp0) REVERT: A 3694 LYS cc_start: 0.9164 (OUTLIER) cc_final: 0.8916 (mmmm) REVERT: A 3756 LYS cc_start: 0.8593 (OUTLIER) cc_final: 0.8292 (mtmm) REVERT: A 3771 HIS cc_start: 0.6955 (OUTLIER) cc_final: 0.6668 (t70) REVERT: A 3854 GLU cc_start: 0.7054 (OUTLIER) cc_final: 0.6607 (mm-30) REVERT: A 3902 TYR cc_start: 0.9254 (OUTLIER) cc_final: 0.8959 (t80) REVERT: A 3967 GLU cc_start: 0.9277 (OUTLIER) cc_final: 0.8921 (tp30) REVERT: A 4009 GLN cc_start: 0.8972 (OUTLIER) cc_final: 0.8389 (mt0) REVERT: A 4090 LYS cc_start: 0.8507 (OUTLIER) cc_final: 0.8233 (ttmt) REVERT: A 4172 GLU cc_start: 0.8966 (OUTLIER) cc_final: 0.8655 (mm-30) REVERT: A 4178 LEU cc_start: 0.9472 (OUTLIER) cc_final: 0.9102 (mp) REVERT: A 4229 GLU cc_start: 0.8973 (OUTLIER) cc_final: 0.8517 (pm20) REVERT: A 4580 TYR cc_start: 0.8558 (OUTLIER) cc_final: 0.7595 (m-80) REVERT: A 4671 PHE cc_start: 0.9401 (OUTLIER) cc_final: 0.9182 (t80) REVERT: A 4796 MET cc_start: 0.7994 (OUTLIER) cc_final: 0.7226 (tmm) REVERT: A 4869 GLU cc_start: 0.5408 (OUTLIER) cc_final: 0.5052 (mm-30) REVERT: A 4886 HIS cc_start: 0.8468 (OUTLIER) cc_final: 0.7769 (t-90) REVERT: A 4949 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.7621 (tp40) REVERT: A 4960 ILE cc_start: 0.9210 (OUTLIER) cc_final: 0.8864 (mm) REVERT: A 4978 HIS cc_start: 0.7728 (OUTLIER) cc_final: 0.7217 (t70) REVERT: A 4997 ASN cc_start: 0.8883 (OUTLIER) cc_final: 0.8582 (t0) REVERT: A 5006 GLN cc_start: 0.9214 (OUTLIER) cc_final: 0.8909 (mp10) REVERT: B 139 GLU cc_start: 0.8635 (OUTLIER) cc_final: 0.8353 (tp30) REVERT: B 150 MET cc_start: 0.8414 (OUTLIER) cc_final: 0.7067 (mpt) REVERT: B 244 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8705 (pt) REVERT: B 257 ARG cc_start: 0.8125 (OUTLIER) cc_final: 0.7489 (mtt180) REVERT: B 261 ARG cc_start: 0.8540 (OUTLIER) cc_final: 0.7553 (ttt-90) REVERT: B 265 LEU cc_start: 0.8745 (OUTLIER) cc_final: 0.8377 (mm) REVERT: B 276 TRP cc_start: 0.7880 (OUTLIER) cc_final: 0.7554 (m100) REVERT: B 302 VAL cc_start: 0.9269 (OUTLIER) cc_final: 0.8915 (p) REVERT: B 317 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.8394 (mtt90) REVERT: B 340 LYS cc_start: 0.9140 (OUTLIER) cc_final: 0.8726 (ttmm) REVERT: B 341 TYR cc_start: 0.7778 (OUTLIER) cc_final: 0.7195 (t80) REVERT: B 359 TYR cc_start: 0.7692 (OUTLIER) cc_final: 0.6930 (p90) REVERT: B 374 LYS cc_start: 0.8080 (OUTLIER) cc_final: 0.7736 (ptpp) REVERT: B 383 HIS cc_start: 0.8457 (OUTLIER) cc_final: 0.7974 (t70) REVERT: B 397 GLU cc_start: 0.7863 (OUTLIER) cc_final: 0.7369 (mp0) REVERT: B 545 ASP cc_start: 0.8685 (OUTLIER) cc_final: 0.8421 (m-30) REVERT: B 616 SER cc_start: 0.9266 (OUTLIER) cc_final: 0.9020 (t) REVERT: B 623 GLU cc_start: 0.7912 (OUTLIER) cc_final: 0.7638 (mt-10) REVERT: B 629 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8878 (mtt90) REVERT: B 632 LEU cc_start: 0.9071 (OUTLIER) cc_final: 0.8810 (mp) REVERT: B 688 LEU cc_start: 0.9604 (OUTLIER) cc_final: 0.9177 (tp) REVERT: B 758 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7664 (mmm-85) REVERT: B 771 PHE cc_start: 0.9611 (OUTLIER) cc_final: 0.9210 (p90) REVERT: B 812 HIS cc_start: 0.6357 (OUTLIER) cc_final: 0.5963 (t-170) REVERT: B 813 GLU cc_start: 0.6625 (OUTLIER) cc_final: 0.5444 (tm-30) REVERT: B 835 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.7591 (ptm-80) REVERT: B 880 GLU cc_start: 0.6796 (OUTLIER) cc_final: 0.5341 (pp20) REVERT: B 888 GLU cc_start: 0.8138 (OUTLIER) cc_final: 0.7656 (mp0) REVERT: B 965 TYR cc_start: 0.3566 (OUTLIER) cc_final: 0.3290 (t80) REVERT: B 971 ASP cc_start: 0.5786 (OUTLIER) cc_final: 0.5346 (m-30) REVERT: B 1051 TYR cc_start: 0.5616 (OUTLIER) cc_final: 0.4581 (m-80) REVERT: B 1078 GLU cc_start: 0.9194 (OUTLIER) cc_final: 0.8559 (tp30) REVERT: B 1101 ARG cc_start: 0.9351 (OUTLIER) cc_final: 0.8885 (mtt180) REVERT: B 1109 LEU cc_start: 0.9373 (OUTLIER) cc_final: 0.9112 (tp) REVERT: B 1137 GLU cc_start: 0.8903 (OUTLIER) cc_final: 0.8217 (mm-30) REVERT: B 1164 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8816 (pt) REVERT: B 1176 GLU cc_start: 0.7013 (OUTLIER) cc_final: 0.6561 (mp0) REVERT: B 1202 LEU cc_start: 0.9604 (OUTLIER) cc_final: 0.9305 (tp) REVERT: B 1211 LEU cc_start: 0.9198 (OUTLIER) cc_final: 0.8991 (tt) REVERT: B 1607 ARG cc_start: 0.9399 (OUTLIER) cc_final: 0.8913 (ttt-90) REVERT: B 1636 MET cc_start: 0.8670 (OUTLIER) cc_final: 0.7703 (ppp) REVERT: B 1639 LEU cc_start: 0.9677 (OUTLIER) cc_final: 0.9255 (mp) REVERT: B 1646 ARG cc_start: 0.9008 (OUTLIER) cc_final: 0.8123 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9767 (OUTLIER) cc_final: 0.9549 (mp) REVERT: B 1728 ARG cc_start: 0.9041 (OUTLIER) cc_final: 0.8057 (ttp80) REVERT: B 1730 MET cc_start: 0.9136 (tpp) cc_final: 0.8910 (tpp) REVERT: B 1734 TYR cc_start: 0.9185 (OUTLIER) cc_final: 0.8408 (m-10) REVERT: B 1772 ARG cc_start: 0.8949 (OUTLIER) cc_final: 0.8408 (mpt-90) REVERT: B 1798 LEU cc_start: 0.8775 (OUTLIER) cc_final: 0.8483 (mp) REVERT: B 1813 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8687 (ttp80) REVERT: B 1865 MET cc_start: 0.7615 (OUTLIER) cc_final: 0.6936 (mmt) REVERT: B 1958 LEU cc_start: 0.9328 (OUTLIER) cc_final: 0.9125 (tp) REVERT: B 1964 ARG cc_start: 0.8923 (OUTLIER) cc_final: 0.8646 (ptp-110) REVERT: B 1977 TYR cc_start: 0.8371 (OUTLIER) cc_final: 0.7644 (t80) REVERT: B 1996 ARG cc_start: 0.8459 (OUTLIER) cc_final: 0.7912 (ptm-80) REVERT: B 2188 ASN cc_start: 0.9211 (OUTLIER) cc_final: 0.8436 (t0) REVERT: B 2190 VAL cc_start: 0.9197 (OUTLIER) cc_final: 0.8989 (t) REVERT: B 2192 TYR cc_start: 0.8506 (OUTLIER) cc_final: 0.7592 (m-80) REVERT: B 2211 MET cc_start: 0.9168 (tmm) cc_final: 0.8944 (ttt) REVERT: B 2257 LEU cc_start: 0.9223 (OUTLIER) cc_final: 0.8869 (mt) REVERT: B 2360 LYS cc_start: 0.9207 (OUTLIER) cc_final: 0.8874 (mtmm) REVERT: B 2364 PHE cc_start: 0.8792 (OUTLIER) cc_final: 0.7542 (m-80) REVERT: B 2368 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8930 (mp) REVERT: B 2472 LEU cc_start: 0.9372 (OUTLIER) cc_final: 0.9088 (pp) REVERT: B 2790 MET cc_start: 0.3872 (mpp) cc_final: 0.3625 (mpp) REVERT: B 2800 LYS cc_start: 0.4882 (OUTLIER) cc_final: 0.4493 (mmmt) REVERT: B 2915 GLU cc_start: 0.6679 (OUTLIER) cc_final: 0.5653 (tp30) REVERT: B 3670 GLU cc_start: 0.8531 (OUTLIER) cc_final: 0.7798 (mp0) REVERT: B 3694 LYS cc_start: 0.9148 (OUTLIER) cc_final: 0.8884 (mmmm) REVERT: B 3756 LYS cc_start: 0.8589 (OUTLIER) cc_final: 0.8282 (mtmm) REVERT: B 3771 HIS cc_start: 0.6894 (OUTLIER) cc_final: 0.6563 (t70) REVERT: B 3811 GLU cc_start: 0.8002 (OUTLIER) cc_final: 0.7581 (pt0) REVERT: B 3854 GLU cc_start: 0.7106 (OUTLIER) cc_final: 0.6583 (mm-30) REVERT: B 3902 TYR cc_start: 0.9259 (OUTLIER) cc_final: 0.8974 (t80) REVERT: B 3967 GLU cc_start: 0.9264 (OUTLIER) cc_final: 0.8913 (tp30) REVERT: B 4009 GLN cc_start: 0.8863 (OUTLIER) cc_final: 0.8185 (mt0) REVERT: B 4090 LYS cc_start: 0.8510 (OUTLIER) cc_final: 0.8225 (ttmt) REVERT: B 4178 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9136 (mp) REVERT: B 4580 TYR cc_start: 0.8569 (OUTLIER) cc_final: 0.7643 (m-80) REVERT: B 4796 MET cc_start: 0.7994 (OUTLIER) cc_final: 0.7254 (tmm) REVERT: B 4821 LYS cc_start: 0.8764 (OUTLIER) cc_final: 0.8470 (mmmt) REVERT: B 4886 HIS cc_start: 0.8495 (OUTLIER) cc_final: 0.7730 (t-90) REVERT: B 4949 GLN cc_start: 0.8498 (OUTLIER) cc_final: 0.7673 (tp40) REVERT: B 4960 ILE cc_start: 0.9175 (OUTLIER) cc_final: 0.8818 (mm) REVERT: B 4961 CYS cc_start: 0.9332 (OUTLIER) cc_final: 0.5362 (t) REVERT: B 4997 ASN cc_start: 0.8908 (OUTLIER) cc_final: 0.8588 (t0) REVERT: B 5006 GLN cc_start: 0.9215 (OUTLIER) cc_final: 0.8909 (mp10) REVERT: C 139 GLU cc_start: 0.8640 (OUTLIER) cc_final: 0.8395 (tp30) REVERT: C 150 MET cc_start: 0.8432 (OUTLIER) cc_final: 0.7109 (mpt) REVERT: C 261 ARG cc_start: 0.8613 (OUTLIER) cc_final: 0.7645 (ttt-90) REVERT: C 265 LEU cc_start: 0.8734 (OUTLIER) cc_final: 0.8347 (mm) REVERT: C 302 VAL cc_start: 0.9268 (OUTLIER) cc_final: 0.8919 (p) REVERT: C 317 ARG cc_start: 0.8732 (OUTLIER) cc_final: 0.8329 (mtt90) REVERT: C 340 LYS cc_start: 0.9152 (OUTLIER) cc_final: 0.8727 (ttmm) REVERT: C 359 TYR cc_start: 0.7658 (OUTLIER) cc_final: 0.6953 (p90) REVERT: C 374 LYS cc_start: 0.8155 (OUTLIER) cc_final: 0.7821 (ptpp) REVERT: C 383 HIS cc_start: 0.8346 (OUTLIER) cc_final: 0.7883 (t70) REVERT: C 397 GLU cc_start: 0.7833 (OUTLIER) cc_final: 0.7311 (mp0) REVERT: C 453 GLU cc_start: 0.9166 (OUTLIER) cc_final: 0.8492 (pm20) REVERT: C 545 ASP cc_start: 0.8650 (OUTLIER) cc_final: 0.8366 (m-30) REVERT: C 553 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7943 (pmt-80) REVERT: C 616 SER cc_start: 0.9358 (OUTLIER) cc_final: 0.9126 (t) REVERT: C 623 GLU cc_start: 0.7941 (OUTLIER) cc_final: 0.7531 (mt-10) REVERT: C 629 ARG cc_start: 0.9209 (OUTLIER) cc_final: 0.8875 (mtt90) REVERT: C 661 LYS cc_start: 0.8380 (OUTLIER) cc_final: 0.8020 (mmmt) REVERT: C 758 ARG cc_start: 0.8133 (OUTLIER) cc_final: 0.7504 (mtm-85) REVERT: C 771 PHE cc_start: 0.9622 (OUTLIER) cc_final: 0.9128 (p90) REVERT: C 812 HIS cc_start: 0.6374 (OUTLIER) cc_final: 0.6057 (t-170) REVERT: C 813 GLU cc_start: 0.6502 (OUTLIER) cc_final: 0.5288 (tm-30) REVERT: C 1051 TYR cc_start: 0.5676 (OUTLIER) cc_final: 0.4550 (m-80) REVERT: C 1078 GLU cc_start: 0.9260 (OUTLIER) cc_final: 0.8705 (tp30) REVERT: C 1101 ARG cc_start: 0.9352 (OUTLIER) cc_final: 0.8869 (mtt180) REVERT: C 1109 LEU cc_start: 0.9384 (OUTLIER) cc_final: 0.9128 (tp) REVERT: C 1137 GLU cc_start: 0.8891 (OUTLIER) cc_final: 0.8213 (mm-30) REVERT: C 1164 LEU cc_start: 0.9184 (OUTLIER) cc_final: 0.8783 (pt) REVERT: C 1202 LEU cc_start: 0.9594 (OUTLIER) cc_final: 0.9311 (tp) REVERT: C 1211 LEU cc_start: 0.9215 (OUTLIER) cc_final: 0.8991 (tt) REVERT: C 1230 MET cc_start: 0.8740 (OUTLIER) cc_final: 0.8369 (mtt) REVERT: C 1272 LEU cc_start: 0.9430 (OUTLIER) cc_final: 0.9194 (tp) REVERT: C 1636 MET cc_start: 0.8671 (OUTLIER) cc_final: 0.7642 (ppp) REVERT: C 1646 ARG cc_start: 0.8945 (OUTLIER) cc_final: 0.8289 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9048 (OUTLIER) cc_final: 0.7988 (ttp80) REVERT: C 1734 TYR cc_start: 0.9205 (OUTLIER) cc_final: 0.8544 (m-80) REVERT: C 1798 LEU cc_start: 0.8767 (OUTLIER) cc_final: 0.8489 (mp) REVERT: C 1827 ARG cc_start: 0.9160 (OUTLIER) cc_final: 0.8344 (ttm110) REVERT: C 1956 GLU cc_start: 0.8327 (OUTLIER) cc_final: 0.8069 (pm20) REVERT: C 1958 LEU cc_start: 0.9311 (OUTLIER) cc_final: 0.9085 (tp) REVERT: C 1977 TYR cc_start: 0.8439 (OUTLIER) cc_final: 0.7959 (t80) REVERT: C 1996 ARG cc_start: 0.8460 (OUTLIER) cc_final: 0.7971 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9227 (OUTLIER) cc_final: 0.8814 (t0) REVERT: C 2190 VAL cc_start: 0.9219 (OUTLIER) cc_final: 0.9017 (t) REVERT: C 2192 TYR cc_start: 0.8501 (OUTLIER) cc_final: 0.7686 (m-80) REVERT: C 2196 ASN cc_start: 0.9428 (OUTLIER) cc_final: 0.9212 (m-40) REVERT: C 2208 MET cc_start: 0.8641 (tpp) cc_final: 0.8350 (tpp) REVERT: C 2211 MET cc_start: 0.9050 (tmm) cc_final: 0.8761 (tmm) REVERT: C 2364 PHE cc_start: 0.8776 (OUTLIER) cc_final: 0.7397 (m-80) REVERT: C 2368 LEU cc_start: 0.9155 (OUTLIER) cc_final: 0.8883 (mp) REVERT: C 2457 LEU cc_start: 0.9361 (OUTLIER) cc_final: 0.9088 (tt) REVERT: C 2790 MET cc_start: 0.3863 (mpp) cc_final: 0.3617 (mpp) REVERT: C 2800 LYS cc_start: 0.4648 (OUTLIER) cc_final: 0.3548 (ptmm) REVERT: C 2805 TYR cc_start: 0.8138 (OUTLIER) cc_final: 0.7822 (t80) REVERT: C 2925 GLU cc_start: 0.3192 (OUTLIER) cc_final: 0.2939 (mt-10) REVERT: C 2939 ARG cc_start: 0.6772 (OUTLIER) cc_final: 0.5863 (ttp-170) REVERT: C 3639 THR cc_start: 0.8008 (OUTLIER) cc_final: 0.7758 (m) REVERT: C 3670 GLU cc_start: 0.8589 (OUTLIER) cc_final: 0.7777 (mp0) REVERT: C 3694 LYS cc_start: 0.9166 (OUTLIER) cc_final: 0.8900 (mmmm) REVERT: C 3707 ARG cc_start: 0.9215 (OUTLIER) cc_final: 0.8692 (ttt90) REVERT: C 3756 LYS cc_start: 0.8565 (OUTLIER) cc_final: 0.8256 (mtmm) REVERT: C 3771 HIS cc_start: 0.6861 (OUTLIER) cc_final: 0.6548 (t70) REVERT: C 3854 GLU cc_start: 0.7208 (OUTLIER) cc_final: 0.6732 (mm-30) REVERT: C 3902 TYR cc_start: 0.9291 (OUTLIER) cc_final: 0.8944 (t80) REVERT: C 3940 LYS cc_start: 0.8048 (OUTLIER) cc_final: 0.7618 (mmtm) REVERT: C 3948 LYS cc_start: 0.9133 (OUTLIER) cc_final: 0.8841 (mtpp) REVERT: C 3967 GLU cc_start: 0.9281 (OUTLIER) cc_final: 0.8919 (tp30) REVERT: C 4009 GLN cc_start: 0.8959 (OUTLIER) cc_final: 0.8118 (mt0) REVERT: C 4063 ASP cc_start: 0.9273 (OUTLIER) cc_final: 0.9043 (t70) REVERT: C 4090 LYS cc_start: 0.8456 (OUTLIER) cc_final: 0.8108 (ttmt) REVERT: C 4109 GLN cc_start: 0.8945 (OUTLIER) cc_final: 0.8458 (pp30) REVERT: C 4110 PHE cc_start: 0.9087 (OUTLIER) cc_final: 0.8578 (t80) REVERT: C 4229 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8330 (pm20) REVERT: C 4580 TYR cc_start: 0.8508 (OUTLIER) cc_final: 0.7572 (m-80) REVERT: C 4796 MET cc_start: 0.7919 (OUTLIER) cc_final: 0.7261 (tmm) REVERT: C 4850 LEU cc_start: 0.9038 (OUTLIER) cc_final: 0.8785 (mm) REVERT: C 4869 GLU cc_start: 0.5700 (OUTLIER) cc_final: 0.5437 (mm-30) REVERT: C 4886 HIS cc_start: 0.8433 (OUTLIER) cc_final: 0.7684 (t-90) REVERT: C 4949 GLN cc_start: 0.8450 (OUTLIER) cc_final: 0.7605 (tp40) REVERT: C 4951 LYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8803 (ttpp) REVERT: C 4960 ILE cc_start: 0.9179 (OUTLIER) cc_final: 0.8810 (mm) REVERT: C 4961 CYS cc_start: 0.9347 (OUTLIER) cc_final: 0.5593 (t) REVERT: C 4997 ASN cc_start: 0.8915 (OUTLIER) cc_final: 0.8580 (t0) REVERT: C 5006 GLN cc_start: 0.9195 (OUTLIER) cc_final: 0.8910 (mp10) REVERT: D 139 GLU cc_start: 0.8655 (OUTLIER) cc_final: 0.8350 (tp30) REVERT: D 150 MET cc_start: 0.8357 (OUTLIER) cc_final: 0.6928 (mpp) REVERT: D 261 ARG cc_start: 0.8639 (OUTLIER) cc_final: 0.7670 (ttt-90) REVERT: D 265 LEU cc_start: 0.8690 (OUTLIER) cc_final: 0.8294 (mm) REVERT: D 276 TRP cc_start: 0.7870 (OUTLIER) cc_final: 0.7460 (m100) REVERT: D 299 LEU cc_start: 0.7227 (OUTLIER) cc_final: 0.6654 (mp) REVERT: D 302 VAL cc_start: 0.9314 (OUTLIER) cc_final: 0.8968 (p) REVERT: D 317 ARG cc_start: 0.8798 (OUTLIER) cc_final: 0.8448 (mtt90) REVERT: D 340 LYS cc_start: 0.9131 (OUTLIER) cc_final: 0.8696 (ttmm) REVERT: D 358 THR cc_start: 0.7921 (OUTLIER) cc_final: 0.7613 (p) REVERT: D 359 TYR cc_start: 0.7554 (OUTLIER) cc_final: 0.6696 (p90) REVERT: D 374 LYS cc_start: 0.8153 (OUTLIER) cc_final: 0.7825 (ptpp) REVERT: D 383 HIS cc_start: 0.8338 (OUTLIER) cc_final: 0.7791 (t70) REVERT: D 426 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7485 (ptp-170) REVERT: D 453 GLU cc_start: 0.9175 (OUTLIER) cc_final: 0.8500 (pm20) REVERT: D 522 LEU cc_start: 0.9589 (OUTLIER) cc_final: 0.9375 (mp) REVERT: D 616 SER cc_start: 0.9354 (OUTLIER) cc_final: 0.9134 (t) REVERT: D 623 GLU cc_start: 0.8023 (OUTLIER) cc_final: 0.7712 (mt-10) REVERT: D 629 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8895 (mtt90) REVERT: D 661 LYS cc_start: 0.8398 (OUTLIER) cc_final: 0.8026 (mmmt) REVERT: D 688 LEU cc_start: 0.9515 (OUTLIER) cc_final: 0.9090 (tp) REVERT: D 758 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.7702 (mmm-85) REVERT: D 771 PHE cc_start: 0.9612 (OUTLIER) cc_final: 0.9131 (p90) REVERT: D 812 HIS cc_start: 0.6475 (OUTLIER) cc_final: 0.6110 (t-170) REVERT: D 813 GLU cc_start: 0.6460 (OUTLIER) cc_final: 0.5121 (tm-30) REVERT: D 1036 ARG cc_start: 0.8808 (OUTLIER) cc_final: 0.8477 (ttm110) REVERT: D 1049 TYR cc_start: 0.4563 (OUTLIER) cc_final: 0.4255 (m-80) REVERT: D 1051 TYR cc_start: 0.5659 (OUTLIER) cc_final: 0.4321 (m-80) REVERT: D 1109 LEU cc_start: 0.9364 (OUTLIER) cc_final: 0.9070 (tp) REVERT: D 1137 GLU cc_start: 0.8892 (OUTLIER) cc_final: 0.8253 (mm-30) REVERT: D 1164 LEU cc_start: 0.9220 (OUTLIER) cc_final: 0.8816 (pt) REVERT: D 1176 GLU cc_start: 0.7181 (OUTLIER) cc_final: 0.6799 (mp0) REVERT: D 1202 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9315 (tp) REVERT: D 1230 MET cc_start: 0.8734 (OUTLIER) cc_final: 0.8227 (mtt) REVERT: D 1272 LEU cc_start: 0.9442 (OUTLIER) cc_final: 0.9213 (tp) REVERT: D 1607 ARG cc_start: 0.9403 (OUTLIER) cc_final: 0.8976 (ttt-90) REVERT: D 1636 MET cc_start: 0.8659 (OUTLIER) cc_final: 0.7789 (ppp) REVERT: D 1637 MET cc_start: 0.8606 (OUTLIER) cc_final: 0.7546 (ttp) REVERT: D 1646 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.8137 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9049 (OUTLIER) cc_final: 0.8055 (ttp80) REVERT: D 1734 TYR cc_start: 0.9208 (OUTLIER) cc_final: 0.8420 (m-10) REVERT: D 1772 ARG cc_start: 0.8964 (OUTLIER) cc_final: 0.8322 (mpt-90) REVERT: D 1798 LEU cc_start: 0.8764 (OUTLIER) cc_final: 0.8502 (mp) REVERT: D 1827 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8354 (ttm110) REVERT: D 1958 LEU cc_start: 0.9309 (OUTLIER) cc_final: 0.9094 (tp) REVERT: D 1977 TYR cc_start: 0.8458 (OUTLIER) cc_final: 0.7954 (t80) REVERT: D 1996 ARG cc_start: 0.8437 (OUTLIER) cc_final: 0.8004 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9215 (OUTLIER) cc_final: 0.8798 (t0) REVERT: D 2190 VAL cc_start: 0.9217 (OUTLIER) cc_final: 0.9014 (t) REVERT: D 2192 TYR cc_start: 0.8518 (OUTLIER) cc_final: 0.7703 (m-80) REVERT: D 2196 ASN cc_start: 0.9453 (OUTLIER) cc_final: 0.9249 (m-40) REVERT: D 2208 MET cc_start: 0.8627 (tpp) cc_final: 0.8327 (tpp) REVERT: D 2211 MET cc_start: 0.9022 (tmm) cc_final: 0.8731 (tmm) REVERT: D 2364 PHE cc_start: 0.8753 (OUTLIER) cc_final: 0.7362 (m-80) REVERT: D 2368 LEU cc_start: 0.9171 (OUTLIER) cc_final: 0.8863 (mp) REVERT: D 2457 LEU cc_start: 0.9373 (OUTLIER) cc_final: 0.9142 (tt) REVERT: D 2790 MET cc_start: 0.3487 (mpp) cc_final: 0.3148 (mpp) REVERT: D 2800 LYS cc_start: 0.4938 (OUTLIER) cc_final: 0.3923 (ptmm) REVERT: D 2925 GLU cc_start: 0.3146 (OUTLIER) cc_final: 0.2892 (mt-10) REVERT: D 3639 THR cc_start: 0.7931 (OUTLIER) cc_final: 0.7702 (m) REVERT: D 3670 GLU cc_start: 0.8547 (OUTLIER) cc_final: 0.7762 (mp0) REVERT: D 3694 LYS cc_start: 0.9160 (OUTLIER) cc_final: 0.8903 (mmmm) REVERT: D 3707 ARG cc_start: 0.9228 (OUTLIER) cc_final: 0.8687 (ttt90) REVERT: D 3756 LYS cc_start: 0.8565 (OUTLIER) cc_final: 0.8249 (mtmm) REVERT: D 3771 HIS cc_start: 0.6872 (OUTLIER) cc_final: 0.6548 (t70) REVERT: D 3854 GLU cc_start: 0.7163 (OUTLIER) cc_final: 0.6611 (mm-30) REVERT: D 3902 TYR cc_start: 0.9278 (OUTLIER) cc_final: 0.8916 (t80) REVERT: D 3940 LYS cc_start: 0.8129 (OUTLIER) cc_final: 0.7722 (mmtm) REVERT: D 3948 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8853 (mtpp) REVERT: D 3967 GLU cc_start: 0.9273 (OUTLIER) cc_final: 0.8927 (tp30) REVERT: D 4009 GLN cc_start: 0.8916 (OUTLIER) cc_final: 0.8022 (mt0) REVERT: D 4063 ASP cc_start: 0.9273 (OUTLIER) cc_final: 0.9044 (t70) REVERT: D 4090 LYS cc_start: 0.8442 (OUTLIER) cc_final: 0.8087 (ttmt) REVERT: D 4100 GLN cc_start: 0.9393 (OUTLIER) cc_final: 0.8872 (mt0) REVERT: D 4110 PHE cc_start: 0.9075 (OUTLIER) cc_final: 0.8589 (t80) REVERT: D 4229 GLU cc_start: 0.8957 (OUTLIER) cc_final: 0.8669 (mp0) REVERT: D 4580 TYR cc_start: 0.8536 (OUTLIER) cc_final: 0.7747 (m-80) REVERT: D 4735 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8140 (tm-30) REVERT: D 4796 MET cc_start: 0.7930 (OUTLIER) cc_final: 0.7197 (tmm) REVERT: D 4821 LYS cc_start: 0.8978 (OUTLIER) cc_final: 0.8720 (mmmt) REVERT: D 4869 GLU cc_start: 0.5503 (OUTLIER) cc_final: 0.5265 (mm-30) REVERT: D 4886 HIS cc_start: 0.8441 (OUTLIER) cc_final: 0.7726 (t-90) REVERT: D 4949 GLN cc_start: 0.8523 (OUTLIER) cc_final: 0.7699 (tp40) REVERT: D 4951 LYS cc_start: 0.9113 (OUTLIER) cc_final: 0.8804 (ttpp) REVERT: D 4960 ILE cc_start: 0.9201 (OUTLIER) cc_final: 0.8829 (mm) REVERT: D 4961 CYS cc_start: 0.9324 (OUTLIER) cc_final: 0.5321 (t) REVERT: D 4997 ASN cc_start: 0.8924 (OUTLIER) cc_final: 0.8589 (t0) outliers start: 3091 outliers final: 2420 residues processed: 3519 average time/residue: 0.9205 time to fit residues: 5776.2821 Evaluate side-chains 3342 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2750 poor density : 592 time to evaluate : 9.185 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 261 ARG Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 297 GLN 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 308 HIS Chi-restraints excluded: chain A residue 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 323 LEU Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 449 ILE Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 607 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 645 ARG Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 732 SER Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS 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 813 GLU Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 935 LEU Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 950 LEU Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1052 ASN Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1633 PRO Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1644 GLU Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS Chi-restraints excluded: chain A residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1936 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2112 GLN Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2179 ILE Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2355 ARG Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2441 HIS Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2757 LYS Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2800 LYS 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 2810 LYS Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3715 LYS Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3854 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4229 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4944 ARG Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 218 HIS Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 261 ARG Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 297 GLN Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 308 HIS Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 323 LEU Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 449 ILE Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 493 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 607 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 623 GLU Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 732 SER Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 740 PRO Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 888 GLU Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 941 MET Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 950 LEU Chi-restraints excluded: chain B residue 955 LEU Chi-restraints excluded: chain B residue 959 TYR Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1028 ASP Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1052 ASN Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1109 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1644 GLU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1931 LEU Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2179 ILE Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2190 VAL Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2355 ARG Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 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 3809 ASN Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL 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 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4210 VAL Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4229 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4899 ASP Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4944 ARG Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU 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 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR 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 122 THR Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU 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 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 241 GLN Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 323 LEU Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 520 ASN Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 607 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 632 LEU Chi-restraints excluded: chain C residue 633 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 645 ARG Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 732 SER Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 740 PRO Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 950 LEU Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 959 TYR Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1052 ASN Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1633 PRO Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS Chi-restraints excluded: chain C residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2190 VAL Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2196 ASN Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2355 ARG Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2738 ARG Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2805 TYR 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 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 2939 ARG Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3715 LYS Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3809 ASN Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3839 CYS Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4198 SER Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4229 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4860 ARG Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4935 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4944 ARG Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 218 HIS Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 297 GLN Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 323 LEU Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 340 LYS Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 426 ARG Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 520 ASN Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 607 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 623 GLU Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 632 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 721 LEU Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 732 SER Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 740 PRO Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 857 ASP Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 950 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1052 ASN Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU 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 1825 HIS Chi-restraints excluded: chain D residue 1827 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1931 LEU Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2179 ILE Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2190 VAL Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2196 ASN Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2355 ARG Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2738 ARG Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2803 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 2810 LYS Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3715 LYS Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3839 CYS Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS 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 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4210 VAL Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4229 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4555 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 4581 LYS Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4650 HIS Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4791 TYR 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4944 ARG Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2125 HIS B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3889 GLN ** B3896 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2125 HIS C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3889 GLN ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3889 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4662 ASN ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8510 moved from start: 1.0197 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.363 119272 Z= 3.626 Angle : 3.263 35.033 162652 Z= 1.650 Chirality : 0.157 0.785 19028 Planarity : 0.020 0.206 21412 Dihedral : 14.937 179.805 17614 Min Nonbonded Distance : 1.738 Molprobity Statistics. All-atom Clashscore : 94.69 Ramachandran Plot: Outliers : 2.75 % Allowed : 36.70 % Favored : 60.55 % Rotamer: Outliers : 30.36 % Allowed : 26.04 % Favored : 43.59 % Cbeta Deviations : 0.91 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 10.69 % Twisted General : 4.04 % 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: -7.27 (0.05), residues: 12804 helix: -4.36 (0.04), residues: 5672 sheet: -4.33 (0.12), residues: 1200 loop : -5.48 (0.05), residues: 5932 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.055 0.008 HIS A3771 PHE 0.139 0.011 PHE B1238 TYR 0.134 0.010 TYR D 692 ARG 0.033 0.003 ARG A2806 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3646 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3052 poor density : 594 time to evaluate : 9.178 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 124 SER cc_start: 0.8548 (OUTLIER) cc_final: 0.8167 (m) REVERT: A 139 GLU cc_start: 0.8645 (OUTLIER) cc_final: 0.8355 (tp30) REVERT: A 150 MET cc_start: 0.8385 (OUTLIER) cc_final: 0.7037 (mpt) REVERT: A 244 LEU cc_start: 0.8986 (OUTLIER) cc_final: 0.8732 (pt) REVERT: A 247 TYR cc_start: 0.8168 (OUTLIER) cc_final: 0.7829 (m-80) REVERT: A 257 ARG cc_start: 0.8167 (OUTLIER) cc_final: 0.7577 (mtt180) REVERT: A 261 ARG cc_start: 0.8547 (OUTLIER) cc_final: 0.7549 (ttt-90) REVERT: A 265 LEU cc_start: 0.8693 (OUTLIER) cc_final: 0.8298 (mm) REVERT: A 302 VAL cc_start: 0.9288 (OUTLIER) cc_final: 0.8921 (p) REVERT: A 340 LYS cc_start: 0.9133 (OUTLIER) cc_final: 0.8757 (ttmm) REVERT: A 359 TYR cc_start: 0.7712 (OUTLIER) cc_final: 0.6931 (p90) REVERT: A 397 GLU cc_start: 0.7912 (OUTLIER) cc_final: 0.7401 (mp0) REVERT: A 453 GLU cc_start: 0.9165 (OUTLIER) cc_final: 0.8435 (pm20) REVERT: A 545 ASP cc_start: 0.8688 (OUTLIER) cc_final: 0.8430 (m-30) REVERT: A 616 SER cc_start: 0.9364 (OUTLIER) cc_final: 0.9096 (t) REVERT: A 623 GLU cc_start: 0.7885 (OUTLIER) cc_final: 0.7548 (mt-10) REVERT: A 629 ARG cc_start: 0.9174 (OUTLIER) cc_final: 0.8594 (mtt90) REVERT: A 661 LYS cc_start: 0.8260 (OUTLIER) cc_final: 0.7810 (mtmt) REVERT: A 758 ARG cc_start: 0.8141 (OUTLIER) cc_final: 0.7534 (mtm-85) REVERT: A 771 PHE cc_start: 0.9599 (OUTLIER) cc_final: 0.9152 (p90) REVERT: A 812 HIS cc_start: 0.6443 (OUTLIER) cc_final: 0.6218 (t-170) REVERT: A 835 ARG cc_start: 0.7981 (OUTLIER) cc_final: 0.7753 (ptm-80) REVERT: A 1036 ARG cc_start: 0.8852 (OUTLIER) cc_final: 0.8603 (ttm110) REVERT: A 1051 TYR cc_start: 0.5586 (OUTLIER) cc_final: 0.4621 (m-80) REVERT: A 1078 GLU cc_start: 0.9195 (OUTLIER) cc_final: 0.8670 (tp30) REVERT: A 1101 ARG cc_start: 0.9360 (OUTLIER) cc_final: 0.8867 (mtt180) REVERT: A 1109 LEU cc_start: 0.9394 (OUTLIER) cc_final: 0.9103 (tp) REVERT: A 1137 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8252 (mm-30) REVERT: A 1164 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8843 (pt) REVERT: A 1176 GLU cc_start: 0.7066 (OUTLIER) cc_final: 0.6591 (mp0) REVERT: A 1202 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9290 (tp) REVERT: A 1211 LEU cc_start: 0.9201 (OUTLIER) cc_final: 0.8987 (tt) REVERT: A 1636 MET cc_start: 0.8684 (OUTLIER) cc_final: 0.7681 (ppp) REVERT: A 1639 LEU cc_start: 0.9669 (OUTLIER) cc_final: 0.9232 (mp) REVERT: A 1646 ARG cc_start: 0.8971 (OUTLIER) cc_final: 0.8134 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9061 (OUTLIER) cc_final: 0.8193 (ttp80) REVERT: A 1734 TYR cc_start: 0.9176 (OUTLIER) cc_final: 0.8439 (m-10) REVERT: A 1772 ARG cc_start: 0.8912 (OUTLIER) cc_final: 0.8320 (mpt-90) REVERT: A 1865 MET cc_start: 0.7632 (OUTLIER) cc_final: 0.6975 (mmt) REVERT: A 1956 GLU cc_start: 0.8376 (OUTLIER) cc_final: 0.8151 (pm20) REVERT: A 1958 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.9122 (tp) REVERT: A 1964 ARG cc_start: 0.8944 (OUTLIER) cc_final: 0.8650 (ptp-110) REVERT: A 1977 TYR cc_start: 0.8398 (OUTLIER) cc_final: 0.7648 (t80) REVERT: A 1996 ARG cc_start: 0.8468 (OUTLIER) cc_final: 0.7873 (ptm-80) REVERT: A 2112 GLN cc_start: 0.8784 (OUTLIER) cc_final: 0.8396 (mp10) REVERT: A 2192 TYR cc_start: 0.8453 (OUTLIER) cc_final: 0.7536 (m-80) REVERT: A 2196 ASN cc_start: 0.9444 (OUTLIER) cc_final: 0.9217 (m-40) REVERT: A 2215 LEU cc_start: 0.9210 (OUTLIER) cc_final: 0.8901 (pp) REVERT: A 2257 LEU cc_start: 0.9226 (OUTLIER) cc_final: 0.8837 (mt) REVERT: A 2364 PHE cc_start: 0.8813 (OUTLIER) cc_final: 0.7514 (m-80) REVERT: A 2368 LEU cc_start: 0.9228 (OUTLIER) cc_final: 0.8976 (mp) REVERT: A 2457 LEU cc_start: 0.9415 (OUTLIER) cc_final: 0.9159 (tt) REVERT: A 2472 LEU cc_start: 0.9383 (OUTLIER) cc_final: 0.9099 (pp) REVERT: A 2762 THR cc_start: -0.1009 (OUTLIER) cc_final: -0.1256 (m) REVERT: A 2790 MET cc_start: 0.3285 (mpp) cc_final: 0.3010 (ptt) REVERT: A 2800 LYS cc_start: 0.4626 (OUTLIER) cc_final: 0.4198 (mmmt) REVERT: A 2810 LYS cc_start: 0.2166 (OUTLIER) cc_final: 0.1941 (tmmt) REVERT: A 3670 GLU cc_start: 0.8544 (OUTLIER) cc_final: 0.7786 (mp0) REVERT: A 3694 LYS cc_start: 0.9166 (OUTLIER) cc_final: 0.8920 (mmmm) REVERT: A 3756 LYS cc_start: 0.8454 (OUTLIER) cc_final: 0.8194 (mtmm) REVERT: A 3771 HIS cc_start: 0.6997 (OUTLIER) cc_final: 0.6668 (t70) REVERT: A 3811 GLU cc_start: 0.7992 (OUTLIER) cc_final: 0.7573 (pt0) REVERT: A 3854 GLU cc_start: 0.7059 (OUTLIER) cc_final: 0.6581 (mm-30) REVERT: A 3902 TYR cc_start: 0.9254 (OUTLIER) cc_final: 0.8964 (t80) REVERT: A 3967 GLU cc_start: 0.9270 (OUTLIER) cc_final: 0.8916 (tp30) REVERT: A 4009 GLN cc_start: 0.8936 (OUTLIER) cc_final: 0.8363 (mt0) REVERT: A 4021 LYS cc_start: 0.9397 (OUTLIER) cc_final: 0.9170 (ttmt) REVERT: A 4042 ARG cc_start: 0.8623 (OUTLIER) cc_final: 0.8075 (mtm-85) REVERT: A 4090 LYS cc_start: 0.8510 (OUTLIER) cc_final: 0.8227 (ttmt) REVERT: A 4172 GLU cc_start: 0.8962 (OUTLIER) cc_final: 0.8652 (mm-30) REVERT: A 4229 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8435 (pm20) REVERT: A 4580 TYR cc_start: 0.8640 (OUTLIER) cc_final: 0.7799 (m-80) REVERT: A 4671 PHE cc_start: 0.9406 (OUTLIER) cc_final: 0.9176 (t80) REVERT: A 4680 LYS cc_start: 0.9107 (OUTLIER) cc_final: 0.8823 (ttmm) REVERT: A 4796 MET cc_start: 0.7998 (OUTLIER) cc_final: 0.7230 (tmm) REVERT: A 4869 GLU cc_start: 0.5459 (OUTLIER) cc_final: 0.5069 (mm-30) REVERT: A 4886 HIS cc_start: 0.8438 (OUTLIER) cc_final: 0.7701 (t-90) REVERT: A 4949 GLN cc_start: 0.8463 (OUTLIER) cc_final: 0.7623 (tp40) REVERT: A 4960 ILE cc_start: 0.9193 (OUTLIER) cc_final: 0.8812 (mm) REVERT: A 4961 CYS cc_start: 0.8845 (OUTLIER) cc_final: 0.4089 (t) REVERT: A 4978 HIS cc_start: 0.7751 (OUTLIER) cc_final: 0.7018 (t70) REVERT: A 4997 ASN cc_start: 0.8890 (OUTLIER) cc_final: 0.8567 (t0) REVERT: A 5006 GLN cc_start: 0.9203 (OUTLIER) cc_final: 0.8907 (mp10) REVERT: B 124 SER cc_start: 0.8568 (OUTLIER) cc_final: 0.8174 (m) REVERT: B 139 GLU cc_start: 0.8661 (OUTLIER) cc_final: 0.8376 (tp30) REVERT: B 150 MET cc_start: 0.8412 (OUTLIER) cc_final: 0.7055 (mpt) REVERT: B 163 VAL cc_start: 0.6242 (OUTLIER) cc_final: 0.6039 (m) REVERT: B 257 ARG cc_start: 0.8123 (OUTLIER) cc_final: 0.7511 (mtt180) REVERT: B 261 ARG cc_start: 0.8649 (OUTLIER) cc_final: 0.7621 (ttt-90) REVERT: B 265 LEU cc_start: 0.8742 (OUTLIER) cc_final: 0.8371 (mm) REVERT: B 276 TRP cc_start: 0.7867 (OUTLIER) cc_final: 0.7492 (m100) REVERT: B 302 VAL cc_start: 0.9270 (OUTLIER) cc_final: 0.8913 (p) REVERT: B 317 ARG cc_start: 0.8697 (OUTLIER) cc_final: 0.8384 (mtt90) REVERT: B 340 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8689 (ttmm) REVERT: B 359 TYR cc_start: 0.7713 (OUTLIER) cc_final: 0.6939 (p90) REVERT: B 374 LYS cc_start: 0.8070 (OUTLIER) cc_final: 0.7665 (ptpp) REVERT: B 383 HIS cc_start: 0.8498 (OUTLIER) cc_final: 0.7959 (t70) REVERT: B 397 GLU cc_start: 0.7811 (OUTLIER) cc_final: 0.7340 (mp0) REVERT: B 426 ARG cc_start: 0.8248 (OUTLIER) cc_final: 0.7665 (ptp-170) REVERT: B 453 GLU cc_start: 0.9169 (OUTLIER) cc_final: 0.8495 (pm20) REVERT: B 545 ASP cc_start: 0.8685 (OUTLIER) cc_final: 0.8393 (m-30) REVERT: B 616 SER cc_start: 0.9282 (OUTLIER) cc_final: 0.9035 (t) REVERT: B 623 GLU cc_start: 0.7938 (OUTLIER) cc_final: 0.7675 (mt-10) REVERT: B 629 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8895 (mtt90) REVERT: B 632 LEU cc_start: 0.9065 (OUTLIER) cc_final: 0.8801 (mp) REVERT: B 688 LEU cc_start: 0.9611 (OUTLIER) cc_final: 0.9201 (tp) REVERT: B 758 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.7673 (mmm-85) REVERT: B 765 GLN cc_start: 0.9110 (OUTLIER) cc_final: 0.8469 (pm20) REVERT: B 771 PHE cc_start: 0.9610 (OUTLIER) cc_final: 0.9199 (p90) REVERT: B 812 HIS cc_start: 0.6344 (OUTLIER) cc_final: 0.5954 (t-170) REVERT: B 835 ARG cc_start: 0.7962 (OUTLIER) cc_final: 0.7581 (ptm-80) REVERT: B 871 ARG cc_start: 0.5726 (OUTLIER) cc_final: 0.4969 (ttm-80) REVERT: B 880 GLU cc_start: 0.6681 (OUTLIER) cc_final: 0.5306 (pp20) REVERT: B 1051 TYR cc_start: 0.5600 (OUTLIER) cc_final: 0.4630 (m-80) REVERT: B 1078 GLU cc_start: 0.9185 (OUTLIER) cc_final: 0.8567 (tp30) REVERT: B 1101 ARG cc_start: 0.9364 (OUTLIER) cc_final: 0.8864 (mtt180) REVERT: B 1109 LEU cc_start: 0.9397 (OUTLIER) cc_final: 0.9123 (tp) REVERT: B 1137 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.8248 (mm-30) REVERT: B 1164 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8815 (pt) REVERT: B 1176 GLU cc_start: 0.7026 (OUTLIER) cc_final: 0.6554 (mp0) REVERT: B 1202 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9307 (tp) REVERT: B 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8984 (tt) REVERT: B 1607 ARG cc_start: 0.9401 (OUTLIER) cc_final: 0.8910 (ttt-90) REVERT: B 1636 MET cc_start: 0.8673 (OUTLIER) cc_final: 0.7721 (ppp) REVERT: B 1639 LEU cc_start: 0.9678 (OUTLIER) cc_final: 0.9253 (mp) REVERT: B 1646 ARG cc_start: 0.9009 (OUTLIER) cc_final: 0.8125 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9765 (OUTLIER) cc_final: 0.9551 (mp) REVERT: B 1728 ARG cc_start: 0.9051 (OUTLIER) cc_final: 0.8055 (ttp80) REVERT: B 1730 MET cc_start: 0.9157 (tpp) cc_final: 0.8951 (tpp) REVERT: B 1734 TYR cc_start: 0.9194 (OUTLIER) cc_final: 0.8423 (m-10) REVERT: B 1772 ARG cc_start: 0.8952 (OUTLIER) cc_final: 0.8381 (mpt-90) REVERT: B 1798 LEU cc_start: 0.8777 (OUTLIER) cc_final: 0.8488 (mp) REVERT: B 1813 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8681 (ttp80) REVERT: B 1958 LEU cc_start: 0.9323 (OUTLIER) cc_final: 0.9118 (tp) REVERT: B 1977 TYR cc_start: 0.8400 (OUTLIER) cc_final: 0.7613 (t80) REVERT: B 1996 ARG cc_start: 0.8444 (OUTLIER) cc_final: 0.7902 (ptm-80) REVERT: B 2188 ASN cc_start: 0.9216 (OUTLIER) cc_final: 0.8462 (t0) REVERT: B 2190 VAL cc_start: 0.9203 (OUTLIER) cc_final: 0.9003 (t) REVERT: B 2192 TYR cc_start: 0.8498 (OUTLIER) cc_final: 0.7590 (m-80) REVERT: B 2211 MET cc_start: 0.9169 (tmm) cc_final: 0.8962 (ttt) REVERT: B 2257 LEU cc_start: 0.9236 (OUTLIER) cc_final: 0.8858 (mt) REVERT: B 2360 LYS cc_start: 0.9198 (OUTLIER) cc_final: 0.8915 (mtmm) REVERT: B 2364 PHE cc_start: 0.8806 (OUTLIER) cc_final: 0.7581 (m-80) REVERT: B 2368 LEU cc_start: 0.9190 (OUTLIER) cc_final: 0.8920 (mp) REVERT: B 2472 LEU cc_start: 0.9376 (OUTLIER) cc_final: 0.9087 (pp) REVERT: B 2776 SER cc_start: 0.6028 (OUTLIER) cc_final: 0.5802 (t) REVERT: B 2790 MET cc_start: 0.4324 (mpp) cc_final: 0.3420 (ptt) REVERT: B 2800 LYS cc_start: 0.4588 (OUTLIER) cc_final: 0.4176 (mmmt) REVERT: B 2888 ARG cc_start: 0.8348 (OUTLIER) cc_final: 0.7850 (tpt170) REVERT: B 2915 GLU cc_start: 0.6494 (OUTLIER) cc_final: 0.5503 (tp30) REVERT: B 3670 GLU cc_start: 0.8559 (OUTLIER) cc_final: 0.7841 (mp0) REVERT: B 3694 LYS cc_start: 0.9150 (OUTLIER) cc_final: 0.8887 (mmmm) REVERT: B 3756 LYS cc_start: 0.8478 (OUTLIER) cc_final: 0.8215 (mtmm) REVERT: B 3771 HIS cc_start: 0.6892 (OUTLIER) cc_final: 0.6556 (t70) REVERT: B 3811 GLU cc_start: 0.7999 (OUTLIER) cc_final: 0.7580 (pt0) REVERT: B 3854 GLU cc_start: 0.7154 (OUTLIER) cc_final: 0.6615 (mm-30) REVERT: B 3902 TYR cc_start: 0.9259 (OUTLIER) cc_final: 0.8974 (t80) REVERT: B 3967 GLU cc_start: 0.9268 (OUTLIER) cc_final: 0.8919 (tp30) REVERT: B 4009 GLN cc_start: 0.8903 (OUTLIER) cc_final: 0.8217 (mt0) REVERT: B 4090 LYS cc_start: 0.8497 (OUTLIER) cc_final: 0.8206 (ttmt) REVERT: B 4178 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.9133 (mp) REVERT: B 4229 GLU cc_start: 0.8889 (OUTLIER) cc_final: 0.8417 (pm20) REVERT: B 4580 TYR cc_start: 0.8491 (OUTLIER) cc_final: 0.7531 (m-80) REVERT: B 4796 MET cc_start: 0.8012 (OUTLIER) cc_final: 0.7265 (tmm) REVERT: B 4821 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.8464 (mmmt) REVERT: B 4886 HIS cc_start: 0.8471 (OUTLIER) cc_final: 0.7709 (t-90) REVERT: B 4949 GLN cc_start: 0.8495 (OUTLIER) cc_final: 0.7672 (tp40) REVERT: B 4960 ILE cc_start: 0.9193 (OUTLIER) cc_final: 0.8830 (mm) REVERT: B 4961 CYS cc_start: 0.9336 (OUTLIER) cc_final: 0.5376 (t) REVERT: B 4997 ASN cc_start: 0.8935 (OUTLIER) cc_final: 0.8591 (t0) REVERT: B 5006 GLN cc_start: 0.9214 (OUTLIER) cc_final: 0.8916 (mp10) REVERT: C 139 GLU cc_start: 0.8658 (OUTLIER) cc_final: 0.8344 (tp30) REVERT: C 150 MET cc_start: 0.8410 (OUTLIER) cc_final: 0.7056 (mpp) REVERT: C 261 ARG cc_start: 0.8658 (OUTLIER) cc_final: 0.7650 (ttt-90) REVERT: C 265 LEU cc_start: 0.8727 (OUTLIER) cc_final: 0.8333 (mm) REVERT: C 276 TRP cc_start: 0.7834 (OUTLIER) cc_final: 0.7320 (m100) REVERT: C 302 VAL cc_start: 0.9268 (OUTLIER) cc_final: 0.8918 (p) REVERT: C 317 ARG cc_start: 0.8736 (OUTLIER) cc_final: 0.8400 (mtt90) REVERT: C 359 TYR cc_start: 0.7725 (OUTLIER) cc_final: 0.6912 (p90) REVERT: C 374 LYS cc_start: 0.8131 (OUTLIER) cc_final: 0.7748 (ptpp) REVERT: C 383 HIS cc_start: 0.8315 (OUTLIER) cc_final: 0.7874 (t70) REVERT: C 426 ARG cc_start: 0.8146 (OUTLIER) cc_final: 0.7579 (ptp-170) REVERT: C 453 GLU cc_start: 0.9165 (OUTLIER) cc_final: 0.8486 (pm20) REVERT: C 545 ASP cc_start: 0.8672 (OUTLIER) cc_final: 0.8397 (m-30) REVERT: C 616 SER cc_start: 0.9362 (OUTLIER) cc_final: 0.9130 (t) REVERT: C 623 GLU cc_start: 0.7932 (OUTLIER) cc_final: 0.7584 (mt-10) REVERT: C 629 ARG cc_start: 0.9208 (OUTLIER) cc_final: 0.8940 (mtt90) REVERT: C 661 LYS cc_start: 0.8380 (OUTLIER) cc_final: 0.8014 (mmmt) REVERT: C 758 ARG cc_start: 0.8119 (OUTLIER) cc_final: 0.7490 (mtm-85) REVERT: C 771 PHE cc_start: 0.9611 (OUTLIER) cc_final: 0.9082 (p90) REVERT: C 812 HIS cc_start: 0.6475 (OUTLIER) cc_final: 0.6266 (t-170) REVERT: C 835 ARG cc_start: 0.7960 (OUTLIER) cc_final: 0.7735 (ptm-80) REVERT: C 1051 TYR cc_start: 0.5706 (OUTLIER) cc_final: 0.4724 (m-80) REVERT: C 1078 GLU cc_start: 0.9255 (OUTLIER) cc_final: 0.8710 (tp30) REVERT: C 1101 ARG cc_start: 0.9351 (OUTLIER) cc_final: 0.8876 (mtt180) REVERT: C 1109 LEU cc_start: 0.9400 (OUTLIER) cc_final: 0.9075 (tp) REVERT: C 1137 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.8221 (mm-30) REVERT: C 1164 LEU cc_start: 0.9176 (OUTLIER) cc_final: 0.8774 (pt) REVERT: C 1202 LEU cc_start: 0.9596 (OUTLIER) cc_final: 0.9298 (tp) REVERT: C 1230 MET cc_start: 0.8740 (OUTLIER) cc_final: 0.8326 (mtt) REVERT: C 1272 LEU cc_start: 0.9434 (OUTLIER) cc_final: 0.9220 (tp) REVERT: C 1636 MET cc_start: 0.8671 (OUTLIER) cc_final: 0.7659 (ppp) REVERT: C 1646 ARG cc_start: 0.8942 (OUTLIER) cc_final: 0.8282 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9034 (OUTLIER) cc_final: 0.8038 (ttp80) REVERT: C 1734 TYR cc_start: 0.9201 (OUTLIER) cc_final: 0.8529 (m-80) REVERT: C 1798 LEU cc_start: 0.8768 (OUTLIER) cc_final: 0.8510 (mp) REVERT: C 1827 ARG cc_start: 0.9163 (OUTLIER) cc_final: 0.8347 (ttm110) REVERT: C 1956 GLU cc_start: 0.8317 (OUTLIER) cc_final: 0.8051 (pm20) REVERT: C 1958 LEU cc_start: 0.9313 (OUTLIER) cc_final: 0.9091 (tp) REVERT: C 1977 TYR cc_start: 0.8448 (OUTLIER) cc_final: 0.7930 (t80) REVERT: C 1996 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.7967 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9225 (OUTLIER) cc_final: 0.8834 (t0) REVERT: C 2192 TYR cc_start: 0.8490 (OUTLIER) cc_final: 0.7689 (m-80) REVERT: C 2196 ASN cc_start: 0.9451 (OUTLIER) cc_final: 0.9228 (m-40) REVERT: C 2203 MET cc_start: 0.8941 (OUTLIER) cc_final: 0.8593 (mtp) REVERT: C 2211 MET cc_start: 0.9058 (tmm) cc_final: 0.8756 (tmm) REVERT: C 2364 PHE cc_start: 0.8768 (OUTLIER) cc_final: 0.7428 (m-80) REVERT: C 2368 LEU cc_start: 0.9162 (OUTLIER) cc_final: 0.8884 (mp) REVERT: C 2440 MET cc_start: 0.7222 (mmm) cc_final: 0.6973 (mmm) REVERT: C 2457 LEU cc_start: 0.9377 (OUTLIER) cc_final: 0.9093 (tt) REVERT: C 2776 SER cc_start: 0.5431 (OUTLIER) cc_final: 0.5190 (t) REVERT: C 2790 MET cc_start: 0.3781 (mpp) cc_final: 0.2762 (ptt) REVERT: C 2800 LYS cc_start: 0.4600 (OUTLIER) cc_final: 0.3510 (ptmt) REVERT: C 2805 TYR cc_start: 0.8262 (t80) cc_final: 0.7935 (t80) REVERT: C 2806 ARG cc_start: 0.9399 (OUTLIER) cc_final: 0.8957 (mmm160) REVERT: C 2925 GLU cc_start: 0.3282 (OUTLIER) cc_final: 0.2995 (mt-10) REVERT: C 3639 THR cc_start: 0.8011 (OUTLIER) cc_final: 0.7761 (m) REVERT: C 3670 GLU cc_start: 0.8580 (OUTLIER) cc_final: 0.7776 (mp0) REVERT: C 3694 LYS cc_start: 0.9166 (OUTLIER) cc_final: 0.8905 (mmmm) REVERT: C 3707 ARG cc_start: 0.9218 (OUTLIER) cc_final: 0.8687 (ttt90) REVERT: C 3771 HIS cc_start: 0.6862 (OUTLIER) cc_final: 0.6535 (t70) REVERT: C 3854 GLU cc_start: 0.7211 (OUTLIER) cc_final: 0.6735 (mm-30) REVERT: C 3902 TYR cc_start: 0.9277 (OUTLIER) cc_final: 0.8991 (t80) REVERT: C 3940 LYS cc_start: 0.8204 (OUTLIER) cc_final: 0.7434 (mmtm) REVERT: C 3948 LYS cc_start: 0.9137 (OUTLIER) cc_final: 0.8864 (mtpp) REVERT: C 3967 GLU cc_start: 0.9293 (OUTLIER) cc_final: 0.8923 (tp30) REVERT: C 4009 GLN cc_start: 0.8997 (OUTLIER) cc_final: 0.8142 (mt0) REVERT: C 4042 ARG cc_start: 0.8607 (OUTLIER) cc_final: 0.8160 (mtm-85) REVERT: C 4050 GLU cc_start: 0.8730 (OUTLIER) cc_final: 0.8239 (tp30) REVERT: C 4090 LYS cc_start: 0.8455 (OUTLIER) cc_final: 0.8104 (ttmt) REVERT: C 4109 GLN cc_start: 0.8949 (OUTLIER) cc_final: 0.8458 (pp30) REVERT: C 4110 PHE cc_start: 0.9087 (OUTLIER) cc_final: 0.8569 (t80) REVERT: C 4580 TYR cc_start: 0.8492 (OUTLIER) cc_final: 0.7544 (m-80) REVERT: C 4796 MET cc_start: 0.7943 (OUTLIER) cc_final: 0.7280 (tmm) REVERT: C 4850 LEU cc_start: 0.9047 (OUTLIER) cc_final: 0.8798 (mm) REVERT: C 4869 GLU cc_start: 0.5301 (OUTLIER) cc_final: 0.4960 (mm-30) REVERT: C 4886 HIS cc_start: 0.8422 (OUTLIER) cc_final: 0.7683 (t-90) REVERT: C 4949 GLN cc_start: 0.8451 (OUTLIER) cc_final: 0.7608 (tp40) REVERT: C 4951 LYS cc_start: 0.9106 (OUTLIER) cc_final: 0.8803 (ttpp) REVERT: C 4960 ILE cc_start: 0.9182 (OUTLIER) cc_final: 0.8806 (mm) REVERT: C 4961 CYS cc_start: 0.9333 (OUTLIER) cc_final: 0.5480 (t) REVERT: C 4997 ASN cc_start: 0.8912 (OUTLIER) cc_final: 0.8585 (t0) REVERT: C 5006 GLN cc_start: 0.9191 (OUTLIER) cc_final: 0.8905 (mp10) REVERT: D 139 GLU cc_start: 0.8686 (OUTLIER) cc_final: 0.8358 (tp30) REVERT: D 150 MET cc_start: 0.8410 (OUTLIER) cc_final: 0.7193 (mpp) REVERT: D 261 ARG cc_start: 0.8669 (OUTLIER) cc_final: 0.7685 (ttt-90) REVERT: D 265 LEU cc_start: 0.8685 (OUTLIER) cc_final: 0.8282 (mm) REVERT: D 276 TRP cc_start: 0.7881 (OUTLIER) cc_final: 0.7463 (m100) REVERT: D 302 VAL cc_start: 0.9282 (OUTLIER) cc_final: 0.8930 (p) REVERT: D 317 ARG cc_start: 0.8802 (OUTLIER) cc_final: 0.8440 (mtt90) REVERT: D 340 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8685 (ttmm) REVERT: D 358 THR cc_start: 0.7808 (OUTLIER) cc_final: 0.7585 (p) REVERT: D 359 TYR cc_start: 0.7575 (OUTLIER) cc_final: 0.6707 (p90) REVERT: D 374 LYS cc_start: 0.8166 (OUTLIER) cc_final: 0.7776 (ptpp) REVERT: D 383 HIS cc_start: 0.8333 (OUTLIER) cc_final: 0.7802 (t70) REVERT: D 397 GLU cc_start: 0.7876 (OUTLIER) cc_final: 0.7345 (mp0) REVERT: D 426 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7488 (ptp-170) REVERT: D 453 GLU cc_start: 0.9169 (OUTLIER) cc_final: 0.8486 (pm20) REVERT: D 522 LEU cc_start: 0.9598 (OUTLIER) cc_final: 0.9325 (mp) REVERT: D 616 SER cc_start: 0.9357 (OUTLIER) cc_final: 0.9129 (t) REVERT: D 623 GLU cc_start: 0.8033 (OUTLIER) cc_final: 0.7715 (mt-10) REVERT: D 629 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8900 (mtt90) REVERT: D 661 LYS cc_start: 0.8389 (OUTLIER) cc_final: 0.7997 (mmmt) REVERT: D 688 LEU cc_start: 0.9532 (OUTLIER) cc_final: 0.9100 (tp) REVERT: D 758 ARG cc_start: 0.8042 (OUTLIER) cc_final: 0.7688 (mmm-85) REVERT: D 771 PHE cc_start: 0.9606 (OUTLIER) cc_final: 0.9111 (p90) REVERT: D 812 HIS cc_start: 0.6672 (OUTLIER) cc_final: 0.6391 (t70) REVERT: D 813 GLU cc_start: 0.6573 (OUTLIER) cc_final: 0.5365 (tm-30) REVERT: D 871 ARG cc_start: 0.5666 (OUTLIER) cc_final: 0.4857 (ttm-80) REVERT: D 1049 TYR cc_start: 0.5017 (OUTLIER) cc_final: 0.4704 (t80) REVERT: D 1051 TYR cc_start: 0.5969 (OUTLIER) cc_final: 0.5154 (m-80) REVERT: D 1109 LEU cc_start: 0.9395 (OUTLIER) cc_final: 0.9105 (tp) REVERT: D 1137 GLU cc_start: 0.8894 (OUTLIER) cc_final: 0.8246 (mm-30) REVERT: D 1164 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8799 (pt) REVERT: D 1176 GLU cc_start: 0.7134 (OUTLIER) cc_final: 0.6769 (mp0) REVERT: D 1202 LEU cc_start: 0.9608 (OUTLIER) cc_final: 0.9310 (tp) REVERT: D 1230 MET cc_start: 0.8730 (OUTLIER) cc_final: 0.8215 (mtt) REVERT: D 1272 LEU cc_start: 0.9465 (OUTLIER) cc_final: 0.9255 (tp) REVERT: D 1607 ARG cc_start: 0.9390 (OUTLIER) cc_final: 0.8933 (ttt-90) REVERT: D 1636 MET cc_start: 0.8663 (OUTLIER) cc_final: 0.7762 (ppp) REVERT: D 1637 MET cc_start: 0.8601 (OUTLIER) cc_final: 0.7526 (ttp) REVERT: D 1646 ARG cc_start: 0.8938 (OUTLIER) cc_final: 0.8135 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9051 (OUTLIER) cc_final: 0.8057 (ttp80) REVERT: D 1734 TYR cc_start: 0.9225 (OUTLIER) cc_final: 0.8437 (m-10) REVERT: D 1798 LEU cc_start: 0.8806 (OUTLIER) cc_final: 0.8527 (mp) REVERT: D 1827 ARG cc_start: 0.9207 (OUTLIER) cc_final: 0.8357 (ttm110) REVERT: D 1958 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9097 (tp) REVERT: D 1977 TYR cc_start: 0.8413 (OUTLIER) cc_final: 0.7855 (t80) REVERT: D 1996 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.8020 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9217 (OUTLIER) cc_final: 0.8820 (t0) REVERT: D 2190 VAL cc_start: 0.9232 (OUTLIER) cc_final: 0.9024 (t) REVERT: D 2192 TYR cc_start: 0.8482 (OUTLIER) cc_final: 0.7703 (m-80) REVERT: D 2196 ASN cc_start: 0.9375 (OUTLIER) cc_final: 0.9152 (m-40) REVERT: D 2203 MET cc_start: 0.8922 (OUTLIER) cc_final: 0.8588 (mtp) REVERT: D 2211 MET cc_start: 0.9031 (tmm) cc_final: 0.8722 (tmm) REVERT: D 2364 PHE cc_start: 0.8753 (OUTLIER) cc_final: 0.7367 (m-80) REVERT: D 2368 LEU cc_start: 0.9240 (OUTLIER) cc_final: 0.8900 (mp) REVERT: D 2457 LEU cc_start: 0.9393 (OUTLIER) cc_final: 0.9160 (tt) REVERT: D 2790 MET cc_start: 0.3245 (mpp) cc_final: 0.2901 (mpp) REVERT: D 2800 LYS cc_start: 0.4986 (OUTLIER) cc_final: 0.3899 (ptmm) REVERT: D 2925 GLU cc_start: 0.3464 (OUTLIER) cc_final: 0.3256 (mt-10) REVERT: D 3639 THR cc_start: 0.7928 (OUTLIER) cc_final: 0.7697 (m) REVERT: D 3670 GLU cc_start: 0.8564 (OUTLIER) cc_final: 0.7760 (mp0) REVERT: D 3694 LYS cc_start: 0.9156 (OUTLIER) cc_final: 0.8899 (mmmm) REVERT: D 3707 ARG cc_start: 0.9223 (OUTLIER) cc_final: 0.8713 (ttt90) REVERT: D 3771 HIS cc_start: 0.6868 (OUTLIER) cc_final: 0.6544 (t70) REVERT: D 3854 GLU cc_start: 0.7222 (OUTLIER) cc_final: 0.6611 (mm-30) REVERT: D 3902 TYR cc_start: 0.9273 (OUTLIER) cc_final: 0.8912 (t80) REVERT: D 3940 LYS cc_start: 0.8079 (OUTLIER) cc_final: 0.7690 (mmtm) REVERT: D 3948 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8852 (mtpp) REVERT: D 3967 GLU cc_start: 0.9285 (OUTLIER) cc_final: 0.8932 (tp30) REVERT: D 4009 GLN cc_start: 0.8940 (OUTLIER) cc_final: 0.8052 (mt0) REVERT: D 4031 LEU cc_start: 0.9438 (OUTLIER) cc_final: 0.9229 (tt) REVERT: D 4063 ASP cc_start: 0.9266 (OUTLIER) cc_final: 0.9031 (t70) REVERT: D 4090 LYS cc_start: 0.8445 (OUTLIER) cc_final: 0.8095 (ttmt) REVERT: D 4100 GLN cc_start: 0.9397 (OUTLIER) cc_final: 0.8870 (mt0) REVERT: D 4110 PHE cc_start: 0.9067 (OUTLIER) cc_final: 0.8583 (t80) REVERT: D 4229 GLU cc_start: 0.8949 (OUTLIER) cc_final: 0.8638 (mp0) REVERT: D 4580 TYR cc_start: 0.8648 (OUTLIER) cc_final: 0.7898 (m-80) REVERT: D 4735 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8144 (tm-30) REVERT: D 4796 MET cc_start: 0.7881 (OUTLIER) cc_final: 0.7238 (tmm) REVERT: D 4821 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8429 (mmmt) REVERT: D 4869 GLU cc_start: 0.5584 (OUTLIER) cc_final: 0.5203 (mm-30) REVERT: D 4886 HIS cc_start: 0.8453 (OUTLIER) cc_final: 0.7744 (t-90) REVERT: D 4949 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.7685 (tp40) REVERT: D 4951 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8810 (ttpp) REVERT: D 4960 ILE cc_start: 0.9197 (OUTLIER) cc_final: 0.8826 (mm) REVERT: D 4961 CYS cc_start: 0.9331 (OUTLIER) cc_final: 0.5355 (t) REVERT: D 4997 ASN cc_start: 0.8920 (OUTLIER) cc_final: 0.8557 (t0) outliers start: 3052 outliers final: 2447 residues processed: 3483 average time/residue: 0.9204 time to fit residues: 5720.1959 Evaluate side-chains 3367 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2776 poor density : 591 time to evaluate : 9.080 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 261 ARG Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 297 GLN 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 308 HIS Chi-restraints excluded: chain A residue 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 323 LEU Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 449 ILE Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 607 CYS Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 645 ARG Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 732 SER Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS 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 813 GLU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 935 LEU Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 950 LEU Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1052 ASN Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1633 PRO Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1644 GLU Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1713 ASP 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1936 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2112 GLN Chi-restraints excluded: chain A residue 2113 SER Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2179 ILE Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2355 ARG Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2757 LYS Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2800 LYS 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 2810 LYS Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2897 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3715 LYS Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3854 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4042 ARG Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4198 SER Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4229 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4680 LYS Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 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 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4944 ARG Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4981 GLU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 60 PRO Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 218 HIS Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 241 GLN Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 261 ARG Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 297 GLN 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 308 HIS Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 323 LEU Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 426 ARG Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 449 ILE Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 493 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 607 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 623 GLU Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 732 SER Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 955 LEU Chi-restraints excluded: chain B residue 959 TYR Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1052 ASN Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1109 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1220 GLN Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1644 GLU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1691 GLN Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1713 ASP 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1931 LEU Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2179 ILE Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2190 VAL Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2355 ARG Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2741 GLU Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2776 SER Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2810 LYS Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 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 3809 ASN Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL 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 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4210 VAL Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4229 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4702 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4815 ASP Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4944 ARG Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU 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 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 60 PRO Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU 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 122 THR Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 241 GLN Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 323 LEU Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 426 ARG Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 520 ASN Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 607 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 632 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 645 ARG Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 732 SER Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 740 PRO Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 950 LEU Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 959 TYR Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1052 ASN Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1194 LEU Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1633 PRO Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS Chi-restraints excluded: chain C residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2196 ASN Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2355 ARG Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2738 ARG Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2776 SER Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2801 ASP Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3715 LYS Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3809 ASN Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3839 CYS Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4042 ARG Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4198 SER Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4229 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4702 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4860 ARG Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4935 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4944 ARG Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 100 THR 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR 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 152 PRO Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 218 HIS Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 230 CYS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 297 GLN Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 323 LEU Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 340 LYS Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 426 ARG Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 520 ASN Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 607 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 623 GLU Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 632 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 646 PRO Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 721 LEU Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 732 SER Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 740 PRO Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 857 ASP Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 950 LEU Chi-restraints excluded: chain D residue 959 TYR Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU 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 1825 HIS Chi-restraints excluded: chain D residue 1827 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1931 LEU Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1936 LYS Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2179 ILE Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2190 VAL Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2196 ASN Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2355 ARG Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2477 PRO Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2738 ARG Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3715 LYS Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3839 CYS Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS 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 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4188 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4210 VAL Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4229 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4555 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 4581 LYS Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4944 ARG Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2125 HIS B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3889 GLN ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2125 HIS C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3889 GLN ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3833 GLN D3889 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4650 HIS ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8511 moved from start: 1.0285 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.350 119272 Z= 3.625 Angle : 3.260 32.101 162652 Z= 1.649 Chirality : 0.156 0.778 19028 Planarity : 0.020 0.184 21412 Dihedral : 14.972 179.795 17614 Min Nonbonded Distance : 1.739 Molprobity Statistics. All-atom Clashscore : 94.87 Ramachandran Plot: Outliers : 2.80 % Allowed : 36.98 % Favored : 60.22 % Rotamer: Outliers : 29.98 % Allowed : 26.63 % Favored : 43.38 % Cbeta Deviations : 0.90 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 10.69 % Twisted General : 4.13 % 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: -7.31 (0.05), residues: 12804 helix: -4.37 (0.04), residues: 5720 sheet: -4.31 (0.12), residues: 1260 loop : -5.54 (0.05), residues: 5824 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.054 0.007 HIS A3771 PHE 0.139 0.011 PHE B1238 TYR 0.146 0.010 TYR D 692 ARG 0.034 0.003 ARG D2920 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3608 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3014 poor density : 594 time to evaluate : 9.068 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 124 SER cc_start: 0.8553 (OUTLIER) cc_final: 0.8172 (m) REVERT: A 139 GLU cc_start: 0.8649 (OUTLIER) cc_final: 0.8355 (tp30) REVERT: A 150 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.7480 (mpp) REVERT: A 224 HIS cc_start: 0.6617 (OUTLIER) cc_final: 0.6098 (t-90) REVERT: A 247 TYR cc_start: 0.7969 (OUTLIER) cc_final: 0.7692 (m-80) REVERT: A 257 ARG cc_start: 0.8123 (OUTLIER) cc_final: 0.7476 (mtt180) REVERT: A 265 LEU cc_start: 0.8741 (OUTLIER) cc_final: 0.8384 (mm) REVERT: A 276 TRP cc_start: 0.7884 (OUTLIER) cc_final: 0.7527 (m100) REVERT: A 302 VAL cc_start: 0.9281 (OUTLIER) cc_final: 0.8922 (p) REVERT: A 340 LYS cc_start: 0.9135 (OUTLIER) cc_final: 0.8760 (ttmm) REVERT: A 341 TYR cc_start: 0.7772 (OUTLIER) cc_final: 0.7018 (t80) REVERT: A 359 TYR cc_start: 0.7686 (OUTLIER) cc_final: 0.6937 (p90) REVERT: A 383 HIS cc_start: 0.8506 (OUTLIER) cc_final: 0.7966 (t70) REVERT: A 397 GLU cc_start: 0.7814 (OUTLIER) cc_final: 0.7391 (mp0) REVERT: A 426 ARG cc_start: 0.8248 (OUTLIER) cc_final: 0.7652 (ptp-170) REVERT: A 453 GLU cc_start: 0.9163 (OUTLIER) cc_final: 0.8426 (pm20) REVERT: A 545 ASP cc_start: 0.8655 (OUTLIER) cc_final: 0.8401 (m-30) REVERT: A 616 SER cc_start: 0.9243 (OUTLIER) cc_final: 0.8985 (t) REVERT: A 623 GLU cc_start: 0.7890 (OUTLIER) cc_final: 0.7564 (mt-10) REVERT: A 629 ARG cc_start: 0.9193 (OUTLIER) cc_final: 0.8846 (mtt90) REVERT: A 661 LYS cc_start: 0.8292 (OUTLIER) cc_final: 0.7825 (mtmt) REVERT: A 758 ARG cc_start: 0.8149 (OUTLIER) cc_final: 0.7549 (mtm-85) REVERT: A 771 PHE cc_start: 0.9601 (OUTLIER) cc_final: 0.9164 (p90) REVERT: A 812 HIS cc_start: 0.6431 (OUTLIER) cc_final: 0.6208 (t-170) REVERT: A 835 ARG cc_start: 0.7967 (OUTLIER) cc_final: 0.7633 (ptm-80) REVERT: A 869 ARG cc_start: 0.5582 (OUTLIER) cc_final: 0.5280 (ptp-170) REVERT: A 871 ARG cc_start: 0.5993 (OUTLIER) cc_final: 0.5357 (ttm-80) REVERT: A 904 HIS cc_start: 0.4231 (OUTLIER) cc_final: 0.3991 (m170) REVERT: A 1036 ARG cc_start: 0.8862 (OUTLIER) cc_final: 0.8641 (ttm110) REVERT: A 1051 TYR cc_start: 0.5697 (OUTLIER) cc_final: 0.4753 (m-80) REVERT: A 1078 GLU cc_start: 0.9193 (OUTLIER) cc_final: 0.8660 (tp30) REVERT: A 1101 ARG cc_start: 0.9369 (OUTLIER) cc_final: 0.8870 (mtt180) REVERT: A 1137 GLU cc_start: 0.8909 (OUTLIER) cc_final: 0.8256 (mm-30) REVERT: A 1164 LEU cc_start: 0.9178 (OUTLIER) cc_final: 0.8840 (pt) REVERT: A 1176 GLU cc_start: 0.7059 (OUTLIER) cc_final: 0.6580 (mp0) REVERT: A 1202 LEU cc_start: 0.9594 (OUTLIER) cc_final: 0.9295 (tp) REVERT: A 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8987 (tt) REVERT: A 1636 MET cc_start: 0.8683 (OUTLIER) cc_final: 0.7679 (ppp) REVERT: A 1639 LEU cc_start: 0.9665 (OUTLIER) cc_final: 0.9223 (mp) REVERT: A 1646 ARG cc_start: 0.8960 (OUTLIER) cc_final: 0.8169 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9060 (OUTLIER) cc_final: 0.8211 (ttp80) REVERT: A 1734 TYR cc_start: 0.9176 (OUTLIER) cc_final: 0.8445 (m-10) REVERT: A 1772 ARG cc_start: 0.8922 (OUTLIER) cc_final: 0.8323 (mpt-90) REVERT: A 1827 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8338 (ttm110) REVERT: A 1865 MET cc_start: 0.7612 (OUTLIER) cc_final: 0.6987 (mmt) REVERT: A 1956 GLU cc_start: 0.8402 (OUTLIER) cc_final: 0.8173 (pm20) REVERT: A 1958 LEU cc_start: 0.9342 (OUTLIER) cc_final: 0.9122 (tp) REVERT: A 1964 ARG cc_start: 0.8940 (OUTLIER) cc_final: 0.8644 (ptp-110) REVERT: A 1977 TYR cc_start: 0.8368 (OUTLIER) cc_final: 0.7607 (t80) REVERT: A 1996 ARG cc_start: 0.8436 (OUTLIER) cc_final: 0.7864 (ptm-80) REVERT: A 2112 GLN cc_start: 0.8775 (OUTLIER) cc_final: 0.8399 (mp10) REVERT: A 2192 TYR cc_start: 0.8431 (OUTLIER) cc_final: 0.7486 (m-80) REVERT: A 2196 ASN cc_start: 0.9440 (OUTLIER) cc_final: 0.9211 (m-40) REVERT: A 2215 LEU cc_start: 0.9212 (OUTLIER) cc_final: 0.8908 (pp) REVERT: A 2257 LEU cc_start: 0.9250 (OUTLIER) cc_final: 0.8879 (mt) REVERT: A 2364 PHE cc_start: 0.8808 (OUTLIER) cc_final: 0.7528 (m-80) REVERT: A 2368 LEU cc_start: 0.9235 (OUTLIER) cc_final: 0.8980 (mp) REVERT: A 2457 LEU cc_start: 0.9457 (OUTLIER) cc_final: 0.9194 (tt) REVERT: A 2472 LEU cc_start: 0.9386 (OUTLIER) cc_final: 0.9101 (pp) REVERT: A 2762 THR cc_start: -0.1417 (OUTLIER) cc_final: -0.1704 (m) REVERT: A 2800 LYS cc_start: 0.4708 (OUTLIER) cc_final: 0.4241 (mmmt) REVERT: A 2888 ARG cc_start: 0.8564 (OUTLIER) cc_final: 0.8180 (tpt170) REVERT: A 3667 HIS cc_start: 0.8882 (m170) cc_final: 0.8614 (m-70) REVERT: A 3670 GLU cc_start: 0.8553 (OUTLIER) cc_final: 0.7806 (mp0) REVERT: A 3694 LYS cc_start: 0.9167 (OUTLIER) cc_final: 0.8922 (mmmm) REVERT: A 3756 LYS cc_start: 0.8566 (OUTLIER) cc_final: 0.8330 (mtmm) REVERT: A 3771 HIS cc_start: 0.6954 (OUTLIER) cc_final: 0.6629 (t70) REVERT: A 3811 GLU cc_start: 0.7998 (OUTLIER) cc_final: 0.7580 (pt0) REVERT: A 3854 GLU cc_start: 0.7056 (OUTLIER) cc_final: 0.6572 (mm-30) REVERT: A 3902 TYR cc_start: 0.9255 (OUTLIER) cc_final: 0.8960 (t80) REVERT: A 3936 TYR cc_start: 0.9509 (OUTLIER) cc_final: 0.9194 (t80) REVERT: A 3967 GLU cc_start: 0.9280 (OUTLIER) cc_final: 0.8920 (tp30) REVERT: A 4009 GLN cc_start: 0.8889 (OUTLIER) cc_final: 0.8323 (mt0) REVERT: A 4021 LYS cc_start: 0.9393 (OUTLIER) cc_final: 0.9166 (ttmt) REVERT: A 4042 ARG cc_start: 0.8614 (OUTLIER) cc_final: 0.8051 (mtm-85) REVERT: A 4090 LYS cc_start: 0.8512 (OUTLIER) cc_final: 0.8227 (ttmt) REVERT: A 4172 GLU cc_start: 0.8968 (OUTLIER) cc_final: 0.8656 (mm-30) REVERT: A 4229 GLU cc_start: 0.8987 (OUTLIER) cc_final: 0.8523 (pm20) REVERT: A 4580 TYR cc_start: 0.8639 (OUTLIER) cc_final: 0.7784 (m-80) REVERT: A 4671 PHE cc_start: 0.9408 (OUTLIER) cc_final: 0.9177 (t80) REVERT: A 4680 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8837 (ttmm) REVERT: A 4796 MET cc_start: 0.8004 (OUTLIER) cc_final: 0.7237 (tmm) REVERT: A 4869 GLU cc_start: 0.5521 (OUTLIER) cc_final: 0.5182 (mm-30) REVERT: A 4886 HIS cc_start: 0.8476 (OUTLIER) cc_final: 0.7768 (t-90) REVERT: A 4949 GLN cc_start: 0.8465 (OUTLIER) cc_final: 0.7639 (tp40) REVERT: A 4954 MET cc_start: 0.8416 (OUTLIER) cc_final: 0.7984 (tpp) REVERT: A 4960 ILE cc_start: 0.9205 (OUTLIER) cc_final: 0.8827 (mm) REVERT: A 4961 CYS cc_start: 0.8851 (OUTLIER) cc_final: 0.4132 (t) REVERT: A 4978 HIS cc_start: 0.7745 (OUTLIER) cc_final: 0.7021 (t70) REVERT: A 4997 ASN cc_start: 0.8885 (OUTLIER) cc_final: 0.8585 (t0) REVERT: A 5006 GLN cc_start: 0.9215 (OUTLIER) cc_final: 0.8914 (mp10) REVERT: B 124 SER cc_start: 0.8582 (OUTLIER) cc_final: 0.8195 (m) REVERT: B 139 GLU cc_start: 0.8648 (OUTLIER) cc_final: 0.8366 (tp30) REVERT: B 150 MET cc_start: 0.8412 (OUTLIER) cc_final: 0.7050 (mpt) REVERT: B 163 VAL cc_start: 0.6178 (OUTLIER) cc_final: 0.5964 (m) REVERT: B 257 ARG cc_start: 0.8056 (OUTLIER) cc_final: 0.7465 (mtt180) REVERT: B 265 LEU cc_start: 0.8719 (OUTLIER) cc_final: 0.8339 (mm) REVERT: B 276 TRP cc_start: 0.7932 (OUTLIER) cc_final: 0.7550 (m100) REVERT: B 302 VAL cc_start: 0.9278 (OUTLIER) cc_final: 0.8908 (p) REVERT: B 317 ARG cc_start: 0.8704 (OUTLIER) cc_final: 0.8412 (mtt90) REVERT: B 340 LYS cc_start: 0.9126 (OUTLIER) cc_final: 0.8719 (ttmm) REVERT: B 359 TYR cc_start: 0.7737 (OUTLIER) cc_final: 0.6886 (p90) REVERT: B 374 LYS cc_start: 0.8113 (OUTLIER) cc_final: 0.7803 (ptpp) REVERT: B 397 GLU cc_start: 0.7797 (OUTLIER) cc_final: 0.7256 (mp0) REVERT: B 426 ARG cc_start: 0.8233 (OUTLIER) cc_final: 0.7599 (ptp-170) REVERT: B 453 GLU cc_start: 0.9174 (OUTLIER) cc_final: 0.8476 (pm20) REVERT: B 545 ASP cc_start: 0.8691 (OUTLIER) cc_final: 0.8422 (m-30) REVERT: B 616 SER cc_start: 0.9276 (OUTLIER) cc_final: 0.9013 (t) REVERT: B 623 GLU cc_start: 0.7896 (OUTLIER) cc_final: 0.7625 (mt-10) REVERT: B 629 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8881 (mtt90) REVERT: B 632 LEU cc_start: 0.9074 (OUTLIER) cc_final: 0.8805 (mp) REVERT: B 688 LEU cc_start: 0.9605 (OUTLIER) cc_final: 0.9187 (tp) REVERT: B 758 ARG cc_start: 0.8075 (OUTLIER) cc_final: 0.7653 (mmm-85) REVERT: B 771 PHE cc_start: 0.9611 (OUTLIER) cc_final: 0.9213 (p90) REVERT: B 812 HIS cc_start: 0.6357 (OUTLIER) cc_final: 0.5976 (t-170) REVERT: B 835 ARG cc_start: 0.7980 (OUTLIER) cc_final: 0.7592 (ptm-80) REVERT: B 869 ARG cc_start: 0.5569 (OUTLIER) cc_final: 0.5251 (ptp-170) REVERT: B 880 GLU cc_start: 0.6618 (OUTLIER) cc_final: 0.5224 (pp20) REVERT: B 1051 TYR cc_start: 0.5655 (OUTLIER) cc_final: 0.4705 (m-80) REVERT: B 1078 GLU cc_start: 0.9187 (OUTLIER) cc_final: 0.8558 (tp30) REVERT: B 1101 ARG cc_start: 0.9370 (OUTLIER) cc_final: 0.8902 (mtt180) REVERT: B 1109 LEU cc_start: 0.9368 (OUTLIER) cc_final: 0.9105 (tp) REVERT: B 1137 GLU cc_start: 0.8904 (OUTLIER) cc_final: 0.8221 (mm-30) REVERT: B 1164 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8815 (pt) REVERT: B 1176 GLU cc_start: 0.7020 (OUTLIER) cc_final: 0.6583 (mp0) REVERT: B 1202 LEU cc_start: 0.9605 (OUTLIER) cc_final: 0.9306 (tp) REVERT: B 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8984 (tt) REVERT: B 1607 ARG cc_start: 0.9398 (OUTLIER) cc_final: 0.8906 (ttt-90) REVERT: B 1636 MET cc_start: 0.8673 (OUTLIER) cc_final: 0.7721 (ppp) REVERT: B 1639 LEU cc_start: 0.9676 (OUTLIER) cc_final: 0.9256 (mp) REVERT: B 1646 ARG cc_start: 0.9007 (OUTLIER) cc_final: 0.8123 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9766 (OUTLIER) cc_final: 0.9558 (mp) REVERT: B 1728 ARG cc_start: 0.9044 (OUTLIER) cc_final: 0.8063 (ttp80) REVERT: B 1730 MET cc_start: 0.9147 (tpp) cc_final: 0.8937 (tpp) REVERT: B 1734 TYR cc_start: 0.9192 (OUTLIER) cc_final: 0.8406 (m-10) REVERT: B 1772 ARG cc_start: 0.8949 (OUTLIER) cc_final: 0.8397 (mpt-90) REVERT: B 1798 LEU cc_start: 0.8766 (OUTLIER) cc_final: 0.8479 (mp) REVERT: B 1813 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8682 (ttp80) REVERT: B 1827 ARG cc_start: 0.9169 (OUTLIER) cc_final: 0.8398 (ttm110) REVERT: B 1865 MET cc_start: 0.7639 (OUTLIER) cc_final: 0.6932 (mmt) REVERT: B 1956 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8138 (pm20) REVERT: B 1958 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.9109 (tp) REVERT: B 1964 ARG cc_start: 0.8925 (OUTLIER) cc_final: 0.8649 (ptp-110) REVERT: B 1977 TYR cc_start: 0.8364 (OUTLIER) cc_final: 0.7624 (t80) REVERT: B 1996 ARG cc_start: 0.8454 (OUTLIER) cc_final: 0.7903 (ptm-80) REVERT: B 2188 ASN cc_start: 0.9195 (OUTLIER) cc_final: 0.8443 (t0) REVERT: B 2190 VAL cc_start: 0.9201 (OUTLIER) cc_final: 0.8998 (t) REVERT: B 2192 TYR cc_start: 0.8500 (OUTLIER) cc_final: 0.7591 (m-80) REVERT: B 2211 MET cc_start: 0.9186 (tmm) cc_final: 0.8979 (ttt) REVERT: B 2257 LEU cc_start: 0.9217 (OUTLIER) cc_final: 0.8836 (mt) REVERT: B 2360 LYS cc_start: 0.9186 (OUTLIER) cc_final: 0.8856 (mtmm) REVERT: B 2364 PHE cc_start: 0.8814 (OUTLIER) cc_final: 0.7588 (m-80) REVERT: B 2368 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8937 (mp) REVERT: B 2472 LEU cc_start: 0.9376 (OUTLIER) cc_final: 0.9089 (pp) REVERT: B 2790 MET cc_start: 0.4362 (mpp) cc_final: 0.3301 (ptt) REVERT: B 2800 LYS cc_start: 0.4408 (OUTLIER) cc_final: 0.3957 (mmmt) REVERT: B 2888 ARG cc_start: 0.8524 (OUTLIER) cc_final: 0.8050 (tpt170) REVERT: B 2915 GLU cc_start: 0.6450 (OUTLIER) cc_final: 0.5276 (tp30) REVERT: B 3667 HIS cc_start: 0.8886 (m170) cc_final: 0.8615 (m-70) REVERT: B 3670 GLU cc_start: 0.8553 (OUTLIER) cc_final: 0.7846 (mp0) REVERT: B 3694 LYS cc_start: 0.9152 (OUTLIER) cc_final: 0.8885 (mmmm) REVERT: B 3756 LYS cc_start: 0.8559 (OUTLIER) cc_final: 0.8300 (mtmm) REVERT: B 3771 HIS cc_start: 0.6893 (OUTLIER) cc_final: 0.6560 (t70) REVERT: B 3811 GLU cc_start: 0.8000 (OUTLIER) cc_final: 0.7579 (pt0) REVERT: B 3854 GLU cc_start: 0.7105 (OUTLIER) cc_final: 0.6618 (mm-30) REVERT: B 3902 TYR cc_start: 0.9260 (OUTLIER) cc_final: 0.8973 (t80) REVERT: B 3967 GLU cc_start: 0.9261 (OUTLIER) cc_final: 0.8921 (tp30) REVERT: B 4009 GLN cc_start: 0.8877 (OUTLIER) cc_final: 0.8175 (mt0) REVERT: B 4090 LYS cc_start: 0.8512 (OUTLIER) cc_final: 0.8223 (ttmt) REVERT: B 4178 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9131 (mp) REVERT: B 4229 GLU cc_start: 0.8977 (OUTLIER) cc_final: 0.8518 (pm20) REVERT: B 4580 TYR cc_start: 0.8518 (OUTLIER) cc_final: 0.7564 (m-80) REVERT: B 4796 MET cc_start: 0.8004 (OUTLIER) cc_final: 0.7248 (tmm) REVERT: B 4821 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.8458 (mmmt) REVERT: B 4886 HIS cc_start: 0.8470 (OUTLIER) cc_final: 0.7699 (t-90) REVERT: B 4949 GLN cc_start: 0.8491 (OUTLIER) cc_final: 0.7673 (tp40) REVERT: B 4960 ILE cc_start: 0.9191 (OUTLIER) cc_final: 0.8823 (mm) REVERT: B 4961 CYS cc_start: 0.9331 (OUTLIER) cc_final: 0.5395 (t) REVERT: B 4997 ASN cc_start: 0.8905 (OUTLIER) cc_final: 0.8585 (t0) REVERT: B 5006 GLN cc_start: 0.9214 (OUTLIER) cc_final: 0.8914 (mp10) REVERT: C 124 SER cc_start: 0.8655 (OUTLIER) cc_final: 0.8300 (m) REVERT: C 139 GLU cc_start: 0.8661 (OUTLIER) cc_final: 0.8350 (tp30) REVERT: C 150 MET cc_start: 0.8423 (OUTLIER) cc_final: 0.7118 (mpt) REVERT: C 265 LEU cc_start: 0.8729 (OUTLIER) cc_final: 0.8346 (mm) REVERT: C 276 TRP cc_start: 0.7864 (OUTLIER) cc_final: 0.7314 (m100) REVERT: C 302 VAL cc_start: 0.9271 (OUTLIER) cc_final: 0.8914 (p) REVERT: C 317 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8406 (mtt90) REVERT: C 374 LYS cc_start: 0.8125 (OUTLIER) cc_final: 0.7797 (ptpp) REVERT: C 383 HIS cc_start: 0.8292 (OUTLIER) cc_final: 0.7746 (t70) REVERT: C 397 GLU cc_start: 0.7858 (OUTLIER) cc_final: 0.7378 (mp0) REVERT: C 426 ARG cc_start: 0.8164 (OUTLIER) cc_final: 0.7591 (ptp-170) REVERT: C 453 GLU cc_start: 0.9170 (OUTLIER) cc_final: 0.8507 (pm20) REVERT: C 545 ASP cc_start: 0.8652 (OUTLIER) cc_final: 0.8374 (m-30) REVERT: C 616 SER cc_start: 0.9362 (OUTLIER) cc_final: 0.9130 (t) REVERT: C 623 GLU cc_start: 0.7940 (OUTLIER) cc_final: 0.7528 (mt-10) REVERT: C 629 ARG cc_start: 0.9212 (OUTLIER) cc_final: 0.8882 (mtt90) REVERT: C 661 LYS cc_start: 0.8378 (OUTLIER) cc_final: 0.8017 (mmmt) REVERT: C 758 ARG cc_start: 0.8136 (OUTLIER) cc_final: 0.7505 (mtm-85) REVERT: C 771 PHE cc_start: 0.9616 (OUTLIER) cc_final: 0.9103 (p90) REVERT: C 812 HIS cc_start: 0.6475 (OUTLIER) cc_final: 0.6261 (t-170) REVERT: C 869 ARG cc_start: 0.5635 (OUTLIER) cc_final: 0.5296 (ptp-170) REVERT: C 1051 TYR cc_start: 0.5733 (OUTLIER) cc_final: 0.4726 (m-80) REVERT: C 1078 GLU cc_start: 0.9257 (OUTLIER) cc_final: 0.8699 (tp30) REVERT: C 1101 ARG cc_start: 0.9361 (OUTLIER) cc_final: 0.8878 (mtt180) REVERT: C 1109 LEU cc_start: 0.9381 (OUTLIER) cc_final: 0.9120 (tp) REVERT: C 1137 GLU cc_start: 0.8894 (OUTLIER) cc_final: 0.8215 (mm-30) REVERT: C 1164 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8794 (pt) REVERT: C 1202 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9310 (tp) REVERT: C 1272 LEU cc_start: 0.9433 (OUTLIER) cc_final: 0.9220 (tp) REVERT: C 1636 MET cc_start: 0.8671 (OUTLIER) cc_final: 0.7661 (ppp) REVERT: C 1646 ARG cc_start: 0.8948 (OUTLIER) cc_final: 0.8295 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9045 (OUTLIER) cc_final: 0.8021 (ttp80) REVERT: C 1734 TYR cc_start: 0.9203 (OUTLIER) cc_final: 0.8526 (m-80) REVERT: C 1798 LEU cc_start: 0.8771 (OUTLIER) cc_final: 0.8508 (mp) REVERT: C 1827 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8315 (ttm110) REVERT: C 1956 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.8120 (pm20) REVERT: C 1958 LEU cc_start: 0.9314 (OUTLIER) cc_final: 0.9087 (tp) REVERT: C 1977 TYR cc_start: 0.8451 (OUTLIER) cc_final: 0.7856 (t80) REVERT: C 1996 ARG cc_start: 0.8435 (OUTLIER) cc_final: 0.7964 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9126 (OUTLIER) cc_final: 0.8506 (t0) REVERT: C 2192 TYR cc_start: 0.8518 (OUTLIER) cc_final: 0.7685 (m-80) REVERT: C 2196 ASN cc_start: 0.9448 (OUTLIER) cc_final: 0.9200 (m-40) REVERT: C 2203 MET cc_start: 0.8922 (OUTLIER) cc_final: 0.8572 (mtp) REVERT: C 2211 MET cc_start: 0.9050 (tmm) cc_final: 0.8748 (tmm) REVERT: C 2364 PHE cc_start: 0.8777 (OUTLIER) cc_final: 0.7405 (m-80) REVERT: C 2368 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8926 (mp) REVERT: C 2440 MET cc_start: 0.7204 (mmm) cc_final: 0.6951 (mmm) REVERT: C 2457 LEU cc_start: 0.9323 (OUTLIER) cc_final: 0.9037 (tt) REVERT: C 2776 SER cc_start: 0.5541 (OUTLIER) cc_final: 0.5284 (t) REVERT: C 2790 MET cc_start: 0.3827 (mpp) cc_final: 0.2737 (ptt) REVERT: C 2800 LYS cc_start: 0.4163 (OUTLIER) cc_final: 0.3738 (mmmt) REVERT: C 2805 TYR cc_start: 0.8302 (t80) cc_final: 0.7854 (t80) REVERT: C 2925 GLU cc_start: 0.3831 (OUTLIER) cc_final: 0.3574 (mt-10) REVERT: C 3639 THR cc_start: 0.8007 (OUTLIER) cc_final: 0.7761 (m) REVERT: C 3667 HIS cc_start: 0.8933 (m170) cc_final: 0.8682 (m-70) REVERT: C 3670 GLU cc_start: 0.8575 (OUTLIER) cc_final: 0.7768 (mp0) REVERT: C 3694 LYS cc_start: 0.9167 (OUTLIER) cc_final: 0.8903 (mmmm) REVERT: C 3707 ARG cc_start: 0.9215 (OUTLIER) cc_final: 0.8684 (ttt90) REVERT: C 3756 LYS cc_start: 0.8517 (OUTLIER) cc_final: 0.8245 (mtmm) REVERT: C 3771 HIS cc_start: 0.6862 (OUTLIER) cc_final: 0.6546 (t70) REVERT: C 3854 GLU cc_start: 0.7178 (OUTLIER) cc_final: 0.6712 (mm-30) REVERT: C 3902 TYR cc_start: 0.9282 (OUTLIER) cc_final: 0.8927 (t80) REVERT: C 3940 LYS cc_start: 0.8266 (OUTLIER) cc_final: 0.7366 (mmtm) REVERT: C 3948 LYS cc_start: 0.9137 (OUTLIER) cc_final: 0.8851 (mtpp) REVERT: C 3967 GLU cc_start: 0.9294 (OUTLIER) cc_final: 0.8904 (tp30) REVERT: C 4009 GLN cc_start: 0.8966 (OUTLIER) cc_final: 0.8097 (mt0) REVERT: C 4042 ARG cc_start: 0.8578 (OUTLIER) cc_final: 0.8108 (mtm-85) REVERT: C 4090 LYS cc_start: 0.8443 (OUTLIER) cc_final: 0.8095 (ttmt) REVERT: C 4109 GLN cc_start: 0.8941 (OUTLIER) cc_final: 0.8456 (pp30) REVERT: C 4110 PHE cc_start: 0.9083 (OUTLIER) cc_final: 0.8581 (t80) REVERT: C 4580 TYR cc_start: 0.8513 (OUTLIER) cc_final: 0.7582 (m-80) REVERT: C 4796 MET cc_start: 0.7949 (OUTLIER) cc_final: 0.7284 (tmm) REVERT: C 4850 LEU cc_start: 0.9034 (OUTLIER) cc_final: 0.8782 (mm) REVERT: C 4869 GLU cc_start: 0.5569 (OUTLIER) cc_final: 0.5206 (mm-30) REVERT: C 4886 HIS cc_start: 0.8420 (OUTLIER) cc_final: 0.7686 (t-90) REVERT: C 4949 GLN cc_start: 0.8449 (OUTLIER) cc_final: 0.7607 (tp40) REVERT: C 4951 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8809 (ttpp) REVERT: C 4960 ILE cc_start: 0.9177 (OUTLIER) cc_final: 0.8802 (mm) REVERT: C 4961 CYS cc_start: 0.9328 (OUTLIER) cc_final: 0.5479 (t) REVERT: C 4997 ASN cc_start: 0.8910 (OUTLIER) cc_final: 0.8583 (t0) REVERT: C 5006 GLN cc_start: 0.9189 (OUTLIER) cc_final: 0.8895 (mp10) REVERT: D 139 GLU cc_start: 0.8655 (OUTLIER) cc_final: 0.8341 (tp30) REVERT: D 150 MET cc_start: 0.8343 (OUTLIER) cc_final: 0.7086 (mpp) REVERT: D 265 LEU cc_start: 0.8686 (OUTLIER) cc_final: 0.8286 (mm) REVERT: D 276 TRP cc_start: 0.7903 (OUTLIER) cc_final: 0.7500 (m100) REVERT: D 302 VAL cc_start: 0.9313 (OUTLIER) cc_final: 0.8959 (p) REVERT: D 317 ARG cc_start: 0.8799 (OUTLIER) cc_final: 0.8442 (mtt90) REVERT: D 340 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8687 (ttmm) REVERT: D 358 THR cc_start: 0.7853 (OUTLIER) cc_final: 0.7641 (p) REVERT: D 359 TYR cc_start: 0.7563 (OUTLIER) cc_final: 0.6712 (p90) REVERT: D 374 LYS cc_start: 0.8154 (OUTLIER) cc_final: 0.7827 (ptpp) REVERT: D 383 HIS cc_start: 0.8354 (OUTLIER) cc_final: 0.7875 (t70) REVERT: D 397 GLU cc_start: 0.7829 (OUTLIER) cc_final: 0.7376 (mp0) REVERT: D 426 ARG cc_start: 0.8133 (OUTLIER) cc_final: 0.7553 (ptp-170) REVERT: D 453 GLU cc_start: 0.9172 (OUTLIER) cc_final: 0.8515 (pm20) REVERT: D 616 SER cc_start: 0.9356 (OUTLIER) cc_final: 0.9126 (t) REVERT: D 623 GLU cc_start: 0.8023 (OUTLIER) cc_final: 0.7710 (mt-10) REVERT: D 629 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.8899 (mtt90) REVERT: D 661 LYS cc_start: 0.8398 (OUTLIER) cc_final: 0.8042 (mmmt) REVERT: D 665 GLU cc_start: 0.7999 (OUTLIER) cc_final: 0.7618 (mm-30) REVERT: D 688 LEU cc_start: 0.9513 (OUTLIER) cc_final: 0.9080 (tp) REVERT: D 758 ARG cc_start: 0.8058 (OUTLIER) cc_final: 0.7695 (mmm-85) REVERT: D 771 PHE cc_start: 0.9610 (OUTLIER) cc_final: 0.9123 (p90) REVERT: D 812 HIS cc_start: 0.6336 (OUTLIER) cc_final: 0.6006 (t-170) REVERT: D 904 HIS cc_start: 0.3607 (OUTLIER) cc_final: 0.3254 (m170) REVERT: D 1036 ARG cc_start: 0.8893 (OUTLIER) cc_final: 0.8667 (ttm110) REVERT: D 1049 TYR cc_start: 0.5497 (OUTLIER) cc_final: 0.5185 (t80) REVERT: D 1051 TYR cc_start: 0.6089 (OUTLIER) cc_final: 0.5202 (m-80) REVERT: D 1109 LEU cc_start: 0.9360 (OUTLIER) cc_final: 0.9057 (tp) REVERT: D 1137 GLU cc_start: 0.8890 (OUTLIER) cc_final: 0.8254 (mm-30) REVERT: D 1164 LEU cc_start: 0.9197 (OUTLIER) cc_final: 0.8809 (pt) REVERT: D 1176 GLU cc_start: 0.7221 (OUTLIER) cc_final: 0.6860 (mp0) REVERT: D 1202 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9316 (tp) REVERT: D 1230 MET cc_start: 0.8731 (OUTLIER) cc_final: 0.8262 (mtt) REVERT: D 1272 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9256 (tp) REVERT: D 1607 ARG cc_start: 0.9388 (OUTLIER) cc_final: 0.8948 (ttt-90) REVERT: D 1636 MET cc_start: 0.8660 (OUTLIER) cc_final: 0.7758 (ppp) REVERT: D 1637 MET cc_start: 0.8577 (OUTLIER) cc_final: 0.7484 (ttp) REVERT: D 1646 ARG cc_start: 0.8940 (OUTLIER) cc_final: 0.8179 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9050 (OUTLIER) cc_final: 0.8055 (ttp80) REVERT: D 1734 TYR cc_start: 0.9210 (OUTLIER) cc_final: 0.8425 (m-10) REVERT: D 1798 LEU cc_start: 0.8771 (OUTLIER) cc_final: 0.8501 (mp) REVERT: D 1827 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8358 (ttm110) REVERT: D 1958 LEU cc_start: 0.9319 (OUTLIER) cc_final: 0.9102 (tp) REVERT: D 1977 TYR cc_start: 0.8413 (OUTLIER) cc_final: 0.7814 (t80) REVERT: D 1996 ARG cc_start: 0.8430 (OUTLIER) cc_final: 0.8000 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9212 (OUTLIER) cc_final: 0.8460 (t0) REVERT: D 2192 TYR cc_start: 0.8511 (OUTLIER) cc_final: 0.7699 (m-80) REVERT: D 2196 ASN cc_start: 0.9378 (OUTLIER) cc_final: 0.9156 (m-40) REVERT: D 2203 MET cc_start: 0.8922 (OUTLIER) cc_final: 0.8590 (mtp) REVERT: D 2211 MET cc_start: 0.9022 (tmm) cc_final: 0.8717 (tmm) REVERT: D 2364 PHE cc_start: 0.8754 (OUTLIER) cc_final: 0.7344 (m-80) REVERT: D 2368 LEU cc_start: 0.9214 (OUTLIER) cc_final: 0.8908 (mp) REVERT: D 2440 MET cc_start: 0.7259 (mmm) cc_final: 0.7038 (mmm) REVERT: D 2457 LEU cc_start: 0.9367 (OUTLIER) cc_final: 0.9137 (tt) REVERT: D 2790 MET cc_start: 0.3378 (mpp) cc_final: 0.2673 (ptt) REVERT: D 2800 LYS cc_start: 0.5020 (OUTLIER) cc_final: 0.4008 (ptmm) REVERT: D 2925 GLU cc_start: 0.3980 (OUTLIER) cc_final: 0.3765 (mt-10) REVERT: D 3639 THR cc_start: 0.7929 (OUTLIER) cc_final: 0.7696 (m) REVERT: D 3670 GLU cc_start: 0.8573 (OUTLIER) cc_final: 0.7735 (mp0) REVERT: D 3694 LYS cc_start: 0.9162 (OUTLIER) cc_final: 0.8905 (mmmm) REVERT: D 3707 ARG cc_start: 0.9226 (OUTLIER) cc_final: 0.8672 (ttt90) REVERT: D 3771 HIS cc_start: 0.6870 (OUTLIER) cc_final: 0.6548 (t70) REVERT: D 3854 GLU cc_start: 0.7268 (OUTLIER) cc_final: 0.6668 (mm-30) REVERT: D 3902 TYR cc_start: 0.9276 (OUTLIER) cc_final: 0.8912 (t80) REVERT: D 3940 LYS cc_start: 0.8234 (OUTLIER) cc_final: 0.7400 (mmtm) REVERT: D 3948 LYS cc_start: 0.9131 (OUTLIER) cc_final: 0.8864 (mtpp) REVERT: D 3967 GLU cc_start: 0.9287 (OUTLIER) cc_final: 0.8911 (tp30) REVERT: D 4009 GLN cc_start: 0.8903 (OUTLIER) cc_final: 0.8022 (mt0) REVERT: D 4031 LEU cc_start: 0.9452 (OUTLIER) cc_final: 0.9247 (tt) REVERT: D 4063 ASP cc_start: 0.9268 (OUTLIER) cc_final: 0.9044 (t70) REVERT: D 4090 LYS cc_start: 0.8441 (OUTLIER) cc_final: 0.8087 (ttmt) REVERT: D 4100 GLN cc_start: 0.9398 (OUTLIER) cc_final: 0.8865 (mt0) REVERT: D 4110 PHE cc_start: 0.9072 (OUTLIER) cc_final: 0.8595 (t80) REVERT: D 4229 GLU cc_start: 0.8962 (OUTLIER) cc_final: 0.8639 (mp0) REVERT: D 4580 TYR cc_start: 0.8654 (OUTLIER) cc_final: 0.7883 (m-80) REVERT: D 4735 GLU cc_start: 0.8807 (OUTLIER) cc_final: 0.8152 (tm-30) REVERT: D 4796 MET cc_start: 0.7910 (OUTLIER) cc_final: 0.7257 (tmm) REVERT: D 4821 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8612 (mmmt) REVERT: D 4869 GLU cc_start: 0.5628 (OUTLIER) cc_final: 0.5345 (mm-30) REVERT: D 4886 HIS cc_start: 0.8440 (OUTLIER) cc_final: 0.7722 (t-90) REVERT: D 4949 GLN cc_start: 0.8522 (OUTLIER) cc_final: 0.7697 (tp40) REVERT: D 4951 LYS cc_start: 0.9114 (OUTLIER) cc_final: 0.8808 (ttpp) REVERT: D 4960 ILE cc_start: 0.9195 (OUTLIER) cc_final: 0.8833 (mm) REVERT: D 4961 CYS cc_start: 0.9326 (OUTLIER) cc_final: 0.5347 (t) REVERT: D 4997 ASN cc_start: 0.8918 (OUTLIER) cc_final: 0.8592 (t0) outliers start: 3014 outliers final: 2476 residues processed: 3440 average time/residue: 0.9189 time to fit residues: 5620.8980 Evaluate side-chains 3403 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2809 poor density : 594 time to evaluate : 11.318 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 297 GLN 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 308 HIS Chi-restraints excluded: chain A residue 310 LYS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 323 LEU Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 426 ARG Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 449 ILE Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 607 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 630 GLU Chi-restraints excluded: chain A residue 632 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 645 ARG Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 732 SER Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 740 PRO Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 904 HIS Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 935 LEU Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 950 LEU Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 973 SER Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1194 LEU Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1270 LEU Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1633 PRO Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1644 GLU Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS Chi-restraints excluded: chain A residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1936 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2112 GLN Chi-restraints excluded: chain A residue 2113 SER Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2179 ILE Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2355 ARG Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2800 LYS Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3715 LYS Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3854 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3936 TYR Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4042 ARG Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP 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 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4188 ARG Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4229 GLU Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4680 LYS Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4815 ASP Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4944 ARG Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4981 GLU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 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 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 218 HIS Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 241 GLN Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 297 GLN Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 308 HIS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 323 LEU Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 426 ARG Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 449 ILE Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 493 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 520 ASN Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 607 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 623 GLU Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 732 SER Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 950 LEU Chi-restraints excluded: chain B residue 955 LEU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1109 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1220 GLN Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1644 GLU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS Chi-restraints excluded: chain B residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1931 LEU Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1956 GLU Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2179 ILE Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2190 VAL Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2201 LEU Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2355 ARG Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2757 LYS Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2909 ASP Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 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 3809 ASN Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3889 GLN 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL 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 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4188 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4210 VAL Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4229 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4702 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 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 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4944 ARG Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU 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 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU 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 122 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 241 GLN Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 323 LEU Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 426 ARG Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 520 ASN Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 607 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 632 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 645 ARG Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 732 SER Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 740 PRO Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 950 LEU Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 959 TYR Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1194 LEU Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1270 LEU Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1633 PRO Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS Chi-restraints excluded: chain C residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1931 LEU Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2196 ASN Chi-restraints excluded: chain C residue 2201 LEU Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2355 ARG Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2477 PRO Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2738 ARG Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2776 SER Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2801 ASP Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3715 LYS Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3809 ASN Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3839 CYS Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4042 ARG Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4198 SER Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4229 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4633 GLU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4702 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4860 ARG Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4935 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4944 ARG Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR 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 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 218 HIS Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 230 CYS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 297 GLN Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 323 LEU Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 340 LYS Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 426 ARG Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 520 ASN Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 607 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 623 GLU Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 632 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 646 PRO Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 721 LEU Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 732 SER Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 740 PRO Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 857 ASP Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 904 HIS Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 950 LEU Chi-restraints excluded: chain D residue 959 TYR Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU 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 1825 HIS Chi-restraints excluded: chain D residue 1827 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1931 LEU Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2179 ILE Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2196 ASN Chi-restraints excluded: chain D residue 2201 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2355 ARG Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2477 PRO Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2801 ASP Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2874 MET Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3715 LYS Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3839 CYS Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS 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 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4188 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4229 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4555 LEU Chi-restraints excluded: chain D residue 4565 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 4581 LYS Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4944 ARG Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2884 ASN ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2125 HIS ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3833 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8511 moved from start: 1.0314 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.356 119272 Z= 3.626 Angle : 3.259 32.392 162652 Z= 1.648 Chirality : 0.157 0.781 19028 Planarity : 0.020 0.178 21412 Dihedral : 14.987 179.789 17614 Min Nonbonded Distance : 1.739 Molprobity Statistics. All-atom Clashscore : 94.94 Ramachandran Plot: Outliers : 2.75 % Allowed : 36.97 % Favored : 60.28 % Rotamer: Outliers : 29.05 % Allowed : 27.43 % Favored : 43.52 % Cbeta Deviations : 0.91 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 10.53 % Twisted General : 4.23 % 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: -7.31 (0.05), residues: 12804 helix: -4.38 (0.04), residues: 5764 sheet: -4.32 (0.11), residues: 1260 loop : -5.54 (0.05), residues: 5780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.091 0.011 TRP C2886 HIS 0.055 0.008 HIS A3771 PHE 0.140 0.011 PHE B1238 TYR 0.147 0.010 TYR D 692 ARG 0.030 0.003 ARG B2888 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25608 Ramachandran restraints generated. 12804 Oldfield, 0 Emsley, 12804 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3511 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2920 poor density : 591 time to evaluate : 9.605 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 124 SER cc_start: 0.8549 (OUTLIER) cc_final: 0.8166 (m) REVERT: A 139 GLU cc_start: 0.8648 (OUTLIER) cc_final: 0.8354 (tp30) REVERT: A 150 MET cc_start: 0.8375 (OUTLIER) cc_final: 0.7487 (mpp) REVERT: A 224 HIS cc_start: 0.6778 (OUTLIER) cc_final: 0.6226 (t-90) REVERT: A 247 TYR cc_start: 0.8091 (OUTLIER) cc_final: 0.7772 (m-80) REVERT: A 257 ARG cc_start: 0.8166 (OUTLIER) cc_final: 0.7571 (mtt180) REVERT: A 265 LEU cc_start: 0.8737 (OUTLIER) cc_final: 0.8377 (mm) REVERT: A 276 TRP cc_start: 0.7883 (OUTLIER) cc_final: 0.7528 (m100) REVERT: A 302 VAL cc_start: 0.9284 (OUTLIER) cc_final: 0.8913 (p) REVERT: A 340 LYS cc_start: 0.9135 (OUTLIER) cc_final: 0.8775 (ttmm) REVERT: A 341 TYR cc_start: 0.7763 (OUTLIER) cc_final: 0.7013 (t80) REVERT: A 359 TYR cc_start: 0.7691 (OUTLIER) cc_final: 0.6920 (p90) REVERT: A 383 HIS cc_start: 0.8491 (OUTLIER) cc_final: 0.7940 (t70) REVERT: A 397 GLU cc_start: 0.7772 (OUTLIER) cc_final: 0.7343 (mp0) REVERT: A 426 ARG cc_start: 0.8246 (OUTLIER) cc_final: 0.7625 (ptp-170) REVERT: A 453 GLU cc_start: 0.9164 (OUTLIER) cc_final: 0.8448 (pm20) REVERT: A 545 ASP cc_start: 0.8686 (OUTLIER) cc_final: 0.8432 (m-30) REVERT: A 616 SER cc_start: 0.9245 (OUTLIER) cc_final: 0.9008 (t) REVERT: A 623 GLU cc_start: 0.7913 (OUTLIER) cc_final: 0.7568 (mt-10) REVERT: A 629 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8852 (mtt90) REVERT: A 661 LYS cc_start: 0.8268 (OUTLIER) cc_final: 0.7830 (mtmt) REVERT: A 758 ARG cc_start: 0.8137 (OUTLIER) cc_final: 0.7545 (mtm-85) REVERT: A 771 PHE cc_start: 0.9601 (OUTLIER) cc_final: 0.9163 (p90) REVERT: A 812 HIS cc_start: 0.6437 (OUTLIER) cc_final: 0.6215 (t-170) REVERT: A 835 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.7731 (ptm-80) REVERT: A 871 ARG cc_start: 0.5942 (OUTLIER) cc_final: 0.5279 (ttm-80) REVERT: A 1036 ARG cc_start: 0.8877 (OUTLIER) cc_final: 0.8653 (ttm110) REVERT: A 1051 TYR cc_start: 0.5720 (OUTLIER) cc_final: 0.4724 (m-80) REVERT: A 1078 GLU cc_start: 0.9197 (OUTLIER) cc_final: 0.8663 (tp30) REVERT: A 1101 ARG cc_start: 0.9367 (OUTLIER) cc_final: 0.8874 (mtt180) REVERT: A 1109 LEU cc_start: 0.9389 (OUTLIER) cc_final: 0.9101 (tp) REVERT: A 1137 GLU cc_start: 0.8902 (OUTLIER) cc_final: 0.8251 (mm-30) REVERT: A 1164 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8839 (pt) REVERT: A 1176 GLU cc_start: 0.7061 (OUTLIER) cc_final: 0.6581 (mp0) REVERT: A 1202 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9286 (tp) REVERT: A 1211 LEU cc_start: 0.9200 (OUTLIER) cc_final: 0.8988 (tt) REVERT: A 1636 MET cc_start: 0.8677 (OUTLIER) cc_final: 0.7670 (ppp) REVERT: A 1639 LEU cc_start: 0.9667 (OUTLIER) cc_final: 0.9225 (mp) REVERT: A 1646 ARG cc_start: 0.8973 (OUTLIER) cc_final: 0.8132 (ttp-170) REVERT: A 1728 ARG cc_start: 0.9064 (OUTLIER) cc_final: 0.8188 (ttp80) REVERT: A 1734 TYR cc_start: 0.9173 (OUTLIER) cc_final: 0.8437 (m-10) REVERT: A 1772 ARG cc_start: 0.8907 (OUTLIER) cc_final: 0.8316 (mpt-90) REVERT: A 1827 ARG cc_start: 0.9196 (OUTLIER) cc_final: 0.8340 (ttm110) REVERT: A 1865 MET cc_start: 0.7619 (OUTLIER) cc_final: 0.6973 (mmt) REVERT: A 1956 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8139 (pm20) REVERT: A 1958 LEU cc_start: 0.9341 (OUTLIER) cc_final: 0.9121 (tp) REVERT: A 1964 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.8646 (ptp-110) REVERT: A 1977 TYR cc_start: 0.8399 (OUTLIER) cc_final: 0.7632 (t80) REVERT: A 1996 ARG cc_start: 0.8443 (OUTLIER) cc_final: 0.7872 (ptm-80) REVERT: A 2028 ARG cc_start: 0.8512 (OUTLIER) cc_final: 0.8206 (ptt180) REVERT: A 2112 GLN cc_start: 0.8781 (OUTLIER) cc_final: 0.8401 (mp10) REVERT: A 2192 TYR cc_start: 0.8434 (OUTLIER) cc_final: 0.7491 (m-80) REVERT: A 2196 ASN cc_start: 0.9448 (OUTLIER) cc_final: 0.9217 (m-40) REVERT: A 2215 LEU cc_start: 0.9207 (OUTLIER) cc_final: 0.8901 (pp) REVERT: A 2257 LEU cc_start: 0.9248 (OUTLIER) cc_final: 0.8875 (mt) REVERT: A 2364 PHE cc_start: 0.8812 (OUTLIER) cc_final: 0.7514 (m-80) REVERT: A 2368 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8974 (mp) REVERT: A 2457 LEU cc_start: 0.9452 (OUTLIER) cc_final: 0.9189 (tt) REVERT: A 2472 LEU cc_start: 0.9386 (OUTLIER) cc_final: 0.9100 (pp) REVERT: A 2790 MET cc_start: 0.3498 (mpp) cc_final: 0.2987 (ptt) REVERT: A 2800 LYS cc_start: 0.4466 (OUTLIER) cc_final: 0.3988 (mmmt) REVERT: A 2888 ARG cc_start: 0.8503 (OUTLIER) cc_final: 0.8123 (tpt170) REVERT: A 3667 HIS cc_start: 0.8895 (m170) cc_final: 0.8630 (m-70) REVERT: A 3670 GLU cc_start: 0.8554 (OUTLIER) cc_final: 0.7805 (mp0) REVERT: A 3694 LYS cc_start: 0.9166 (OUTLIER) cc_final: 0.8923 (mmmm) REVERT: A 3756 LYS cc_start: 0.8557 (OUTLIER) cc_final: 0.8322 (mtmm) REVERT: A 3771 HIS cc_start: 0.6997 (OUTLIER) cc_final: 0.6671 (t70) REVERT: A 3811 GLU cc_start: 0.7996 (OUTLIER) cc_final: 0.7577 (pt0) REVERT: A 3854 GLU cc_start: 0.7056 (OUTLIER) cc_final: 0.6581 (mm-30) REVERT: A 3902 TYR cc_start: 0.9253 (OUTLIER) cc_final: 0.8959 (t80) REVERT: A 3940 LYS cc_start: 0.8379 (OUTLIER) cc_final: 0.8098 (mmtm) REVERT: A 3967 GLU cc_start: 0.9279 (OUTLIER) cc_final: 0.8919 (tp30) REVERT: A 4009 GLN cc_start: 0.8891 (OUTLIER) cc_final: 0.8272 (mt0) REVERT: A 4021 LYS cc_start: 0.9394 (OUTLIER) cc_final: 0.9167 (ttmt) REVERT: A 4042 ARG cc_start: 0.8608 (OUTLIER) cc_final: 0.8022 (mtm-85) REVERT: A 4090 LYS cc_start: 0.8514 (OUTLIER) cc_final: 0.8228 (ttmt) REVERT: A 4172 GLU cc_start: 0.8965 (OUTLIER) cc_final: 0.8654 (mm-30) REVERT: A 4229 GLU cc_start: 0.8988 (OUTLIER) cc_final: 0.8521 (pm20) REVERT: A 4580 TYR cc_start: 0.8635 (OUTLIER) cc_final: 0.7788 (m-80) REVERT: A 4671 PHE cc_start: 0.9408 (OUTLIER) cc_final: 0.9181 (t80) REVERT: A 4796 MET cc_start: 0.8014 (OUTLIER) cc_final: 0.7240 (tmm) REVERT: A 4869 GLU cc_start: 0.5550 (OUTLIER) cc_final: 0.5211 (mm-30) REVERT: A 4886 HIS cc_start: 0.8478 (OUTLIER) cc_final: 0.7768 (t-90) REVERT: A 4949 GLN cc_start: 0.8465 (OUTLIER) cc_final: 0.7641 (tp40) REVERT: A 4954 MET cc_start: 0.8428 (OUTLIER) cc_final: 0.7999 (tpp) REVERT: A 4960 ILE cc_start: 0.9206 (OUTLIER) cc_final: 0.8830 (mm) REVERT: A 4961 CYS cc_start: 0.8858 (OUTLIER) cc_final: 0.4155 (t) REVERT: A 4978 HIS cc_start: 0.7751 (OUTLIER) cc_final: 0.7021 (t70) REVERT: A 4997 ASN cc_start: 0.8889 (OUTLIER) cc_final: 0.8583 (t0) REVERT: A 5006 GLN cc_start: 0.9211 (OUTLIER) cc_final: 0.8909 (mp10) REVERT: B 124 SER cc_start: 0.8588 (OUTLIER) cc_final: 0.8196 (m) REVERT: B 139 GLU cc_start: 0.8642 (OUTLIER) cc_final: 0.8353 (tp30) REVERT: B 150 MET cc_start: 0.8410 (OUTLIER) cc_final: 0.7048 (mpt) REVERT: B 163 VAL cc_start: 0.6164 (OUTLIER) cc_final: 0.5941 (m) REVERT: B 257 ARG cc_start: 0.8050 (OUTLIER) cc_final: 0.7430 (mtt180) REVERT: B 265 LEU cc_start: 0.8730 (OUTLIER) cc_final: 0.8359 (mm) REVERT: B 276 TRP cc_start: 0.7863 (OUTLIER) cc_final: 0.7433 (m100) REVERT: B 302 VAL cc_start: 0.9274 (OUTLIER) cc_final: 0.8904 (p) REVERT: B 317 ARG cc_start: 0.8703 (OUTLIER) cc_final: 0.8390 (mtt90) REVERT: B 340 LYS cc_start: 0.9129 (OUTLIER) cc_final: 0.8721 (ttmm) REVERT: B 359 TYR cc_start: 0.7693 (OUTLIER) cc_final: 0.6912 (p90) REVERT: B 374 LYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7753 (ptpp) REVERT: B 383 HIS cc_start: 0.8419 (OUTLIER) cc_final: 0.7917 (t70) REVERT: B 397 GLU cc_start: 0.7798 (OUTLIER) cc_final: 0.7337 (mp0) REVERT: B 426 ARG cc_start: 0.8137 (OUTLIER) cc_final: 0.7488 (ptp-170) REVERT: B 453 GLU cc_start: 0.9170 (OUTLIER) cc_final: 0.8485 (pm20) REVERT: B 545 ASP cc_start: 0.8690 (OUTLIER) cc_final: 0.8417 (m-30) REVERT: B 616 SER cc_start: 0.9279 (OUTLIER) cc_final: 0.9013 (t) REVERT: B 623 GLU cc_start: 0.7908 (OUTLIER) cc_final: 0.7642 (mt-10) REVERT: B 629 ARG cc_start: 0.9190 (OUTLIER) cc_final: 0.8905 (mtt90) REVERT: B 632 LEU cc_start: 0.9075 (OUTLIER) cc_final: 0.8808 (mp) REVERT: B 688 LEU cc_start: 0.9605 (OUTLIER) cc_final: 0.9195 (tp) REVERT: B 758 ARG cc_start: 0.8069 (OUTLIER) cc_final: 0.7648 (mmm-85) REVERT: B 771 PHE cc_start: 0.9612 (OUTLIER) cc_final: 0.9210 (p90) REVERT: B 812 HIS cc_start: 0.6339 (OUTLIER) cc_final: 0.5952 (t-170) REVERT: B 835 ARG cc_start: 0.7968 (OUTLIER) cc_final: 0.7588 (ptm-80) REVERT: B 871 ARG cc_start: 0.5834 (OUTLIER) cc_final: 0.5141 (ttm-80) REVERT: B 880 GLU cc_start: 0.6577 (OUTLIER) cc_final: 0.5177 (pp20) REVERT: B 888 GLU cc_start: 0.8158 (OUTLIER) cc_final: 0.7734 (mp0) REVERT: B 960 MET cc_start: 0.3493 (mmm) cc_final: 0.3269 (mmt) REVERT: B 1051 TYR cc_start: 0.5658 (OUTLIER) cc_final: 0.4682 (m-80) REVERT: B 1078 GLU cc_start: 0.9187 (OUTLIER) cc_final: 0.8557 (tp30) REVERT: B 1101 ARG cc_start: 0.9369 (OUTLIER) cc_final: 0.8905 (mtt180) REVERT: B 1109 LEU cc_start: 0.9398 (OUTLIER) cc_final: 0.9148 (tp) REVERT: B 1137 GLU cc_start: 0.8895 (OUTLIER) cc_final: 0.8215 (mm-30) REVERT: B 1164 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8815 (pt) REVERT: B 1176 GLU cc_start: 0.7018 (OUTLIER) cc_final: 0.6555 (mp0) REVERT: B 1202 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9302 (tp) REVERT: B 1211 LEU cc_start: 0.9199 (OUTLIER) cc_final: 0.8980 (tt) REVERT: B 1607 ARG cc_start: 0.9398 (OUTLIER) cc_final: 0.8905 (ttt-90) REVERT: B 1636 MET cc_start: 0.8671 (OUTLIER) cc_final: 0.7719 (ppp) REVERT: B 1639 LEU cc_start: 0.9676 (OUTLIER) cc_final: 0.9253 (mp) REVERT: B 1646 ARG cc_start: 0.9008 (OUTLIER) cc_final: 0.8122 (ttp-170) REVERT: B 1653 LEU cc_start: 0.9767 (OUTLIER) cc_final: 0.9559 (mp) REVERT: B 1728 ARG cc_start: 0.9054 (OUTLIER) cc_final: 0.8059 (ttp80) REVERT: B 1730 MET cc_start: 0.9157 (tpp) cc_final: 0.8943 (tpp) REVERT: B 1734 TYR cc_start: 0.9194 (OUTLIER) cc_final: 0.8405 (m-10) REVERT: B 1772 ARG cc_start: 0.8956 (OUTLIER) cc_final: 0.8385 (mpt-90) REVERT: B 1798 LEU cc_start: 0.8768 (OUTLIER) cc_final: 0.8474 (mp) REVERT: B 1813 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8710 (ttp80) REVERT: B 1827 ARG cc_start: 0.9174 (OUTLIER) cc_final: 0.8408 (ttm110) REVERT: B 1958 LEU cc_start: 0.9326 (OUTLIER) cc_final: 0.9120 (tp) REVERT: B 1964 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8649 (ptp-110) REVERT: B 1977 TYR cc_start: 0.8368 (OUTLIER) cc_final: 0.7627 (t80) REVERT: B 1996 ARG cc_start: 0.8338 (OUTLIER) cc_final: 0.7790 (ptm-80) REVERT: B 2188 ASN cc_start: 0.9207 (OUTLIER) cc_final: 0.8483 (t0) REVERT: B 2192 TYR cc_start: 0.8501 (OUTLIER) cc_final: 0.7588 (m-80) REVERT: B 2211 MET cc_start: 0.9172 (tmm) cc_final: 0.8962 (ttt) REVERT: B 2257 LEU cc_start: 0.9232 (OUTLIER) cc_final: 0.8850 (mt) REVERT: B 2360 LYS cc_start: 0.9183 (OUTLIER) cc_final: 0.8852 (mtmm) REVERT: B 2364 PHE cc_start: 0.8813 (OUTLIER) cc_final: 0.7584 (m-80) REVERT: B 2368 LEU cc_start: 0.9179 (OUTLIER) cc_final: 0.8913 (mp) REVERT: B 2472 LEU cc_start: 0.9376 (OUTLIER) cc_final: 0.9088 (pp) REVERT: B 2762 THR cc_start: -0.2374 (OUTLIER) cc_final: -0.2662 (m) REVERT: B 2790 MET cc_start: 0.4417 (mpp) cc_final: 0.3374 (ptt) REVERT: B 2800 LYS cc_start: 0.4429 (OUTLIER) cc_final: 0.3979 (mmmt) REVERT: B 2888 ARG cc_start: 0.8455 (OUTLIER) cc_final: 0.8044 (tpt170) REVERT: B 2915 GLU cc_start: 0.6516 (OUTLIER) cc_final: 0.5442 (tp30) REVERT: B 3667 HIS cc_start: 0.8900 (m170) cc_final: 0.8633 (m-70) REVERT: B 3670 GLU cc_start: 0.8552 (OUTLIER) cc_final: 0.7835 (mp0) REVERT: B 3694 LYS cc_start: 0.9152 (OUTLIER) cc_final: 0.8886 (mmmm) REVERT: B 3756 LYS cc_start: 0.8551 (OUTLIER) cc_final: 0.8299 (mtmm) REVERT: B 3771 HIS cc_start: 0.6891 (OUTLIER) cc_final: 0.6562 (t70) REVERT: B 3811 GLU cc_start: 0.7998 (OUTLIER) cc_final: 0.7590 (pt0) REVERT: B 3854 GLU cc_start: 0.7150 (OUTLIER) cc_final: 0.6592 (mm-30) REVERT: B 3886 ARG cc_start: 0.9314 (OUTLIER) cc_final: 0.8039 (tpt170) REVERT: B 3902 TYR cc_start: 0.9261 (OUTLIER) cc_final: 0.8973 (t80) REVERT: B 3967 GLU cc_start: 0.9250 (OUTLIER) cc_final: 0.8895 (tp30) REVERT: B 4009 GLN cc_start: 0.8856 (OUTLIER) cc_final: 0.8209 (mt0) REVERT: B 4021 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.9133 (ttmt) REVERT: B 4090 LYS cc_start: 0.8510 (OUTLIER) cc_final: 0.8222 (ttmt) REVERT: B 4178 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.9130 (mp) REVERT: B 4229 GLU cc_start: 0.8904 (OUTLIER) cc_final: 0.8451 (pm20) REVERT: B 4580 TYR cc_start: 0.8515 (OUTLIER) cc_final: 0.7549 (m-80) REVERT: B 4796 MET cc_start: 0.8042 (OUTLIER) cc_final: 0.7281 (tmm) REVERT: B 4821 LYS cc_start: 0.8794 (OUTLIER) cc_final: 0.8461 (mmmt) REVERT: B 4886 HIS cc_start: 0.8469 (OUTLIER) cc_final: 0.7709 (t-90) REVERT: B 4949 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.7671 (tp40) REVERT: B 4960 ILE cc_start: 0.9189 (OUTLIER) cc_final: 0.8823 (mm) REVERT: B 4961 CYS cc_start: 0.9328 (OUTLIER) cc_final: 0.5392 (t) REVERT: B 4997 ASN cc_start: 0.8910 (OUTLIER) cc_final: 0.8579 (t0) REVERT: B 5006 GLN cc_start: 0.9226 (OUTLIER) cc_final: 0.8921 (mp10) REVERT: C 124 SER cc_start: 0.8629 (OUTLIER) cc_final: 0.8269 (m) REVERT: C 139 GLU cc_start: 0.8654 (OUTLIER) cc_final: 0.8346 (tp30) REVERT: C 150 MET cc_start: 0.8421 (OUTLIER) cc_final: 0.7105 (mpt) REVERT: C 265 LEU cc_start: 0.8724 (OUTLIER) cc_final: 0.8337 (mm) REVERT: C 276 TRP cc_start: 0.7825 (OUTLIER) cc_final: 0.7294 (m100) REVERT: C 302 VAL cc_start: 0.9268 (OUTLIER) cc_final: 0.8913 (p) REVERT: C 317 ARG cc_start: 0.8734 (OUTLIER) cc_final: 0.8381 (mtt90) REVERT: C 359 TYR cc_start: 0.7661 (OUTLIER) cc_final: 0.6886 (p90) REVERT: C 374 LYS cc_start: 0.8142 (OUTLIER) cc_final: 0.7793 (ptpp) REVERT: C 383 HIS cc_start: 0.8263 (OUTLIER) cc_final: 0.7834 (t70) REVERT: C 397 GLU cc_start: 0.7809 (OUTLIER) cc_final: 0.7315 (mp0) REVERT: C 426 ARG cc_start: 0.8158 (OUTLIER) cc_final: 0.7586 (ptp-170) REVERT: C 453 GLU cc_start: 0.9166 (OUTLIER) cc_final: 0.8484 (pm20) REVERT: C 545 ASP cc_start: 0.8625 (OUTLIER) cc_final: 0.8345 (m-30) REVERT: C 616 SER cc_start: 0.9364 (OUTLIER) cc_final: 0.9130 (t) REVERT: C 623 GLU cc_start: 0.7936 (OUTLIER) cc_final: 0.7529 (mt-10) REVERT: C 629 ARG cc_start: 0.9204 (OUTLIER) cc_final: 0.8904 (mtt90) REVERT: C 661 LYS cc_start: 0.8378 (OUTLIER) cc_final: 0.8016 (mmmt) REVERT: C 758 ARG cc_start: 0.8126 (OUTLIER) cc_final: 0.7490 (mtm-85) REVERT: C 771 PHE cc_start: 0.9613 (OUTLIER) cc_final: 0.9090 (p90) REVERT: C 812 HIS cc_start: 0.6472 (OUTLIER) cc_final: 0.6261 (t-170) REVERT: C 869 ARG cc_start: 0.5539 (OUTLIER) cc_final: 0.5264 (ptp-170) REVERT: C 1051 TYR cc_start: 0.5775 (OUTLIER) cc_final: 0.4733 (m-80) REVERT: C 1078 GLU cc_start: 0.9257 (OUTLIER) cc_final: 0.8694 (tp30) REVERT: C 1101 ARG cc_start: 0.9357 (OUTLIER) cc_final: 0.8882 (mtt180) REVERT: C 1109 LEU cc_start: 0.9391 (OUTLIER) cc_final: 0.9099 (tp) REVERT: C 1137 GLU cc_start: 0.8894 (OUTLIER) cc_final: 0.8217 (mm-30) REVERT: C 1164 LEU cc_start: 0.9179 (OUTLIER) cc_final: 0.8778 (pt) REVERT: C 1202 LEU cc_start: 0.9594 (OUTLIER) cc_final: 0.9302 (tp) REVERT: C 1272 LEU cc_start: 0.9432 (OUTLIER) cc_final: 0.9221 (tp) REVERT: C 1607 ARG cc_start: 0.9325 (OUTLIER) cc_final: 0.8986 (ttt-90) REVERT: C 1636 MET cc_start: 0.8670 (OUTLIER) cc_final: 0.7664 (ppp) REVERT: C 1646 ARG cc_start: 0.8949 (OUTLIER) cc_final: 0.8303 (ttp-170) REVERT: C 1728 ARG cc_start: 0.9044 (OUTLIER) cc_final: 0.8034 (ttp80) REVERT: C 1734 TYR cc_start: 0.9195 (OUTLIER) cc_final: 0.8500 (m-80) REVERT: C 1772 ARG cc_start: 0.8970 (OUTLIER) cc_final: 0.8385 (mpt-90) REVERT: C 1798 LEU cc_start: 0.8775 (OUTLIER) cc_final: 0.8507 (mp) REVERT: C 1827 ARG cc_start: 0.9167 (OUTLIER) cc_final: 0.8330 (ttm110) REVERT: C 1956 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.8075 (pm20) REVERT: C 1958 LEU cc_start: 0.9316 (OUTLIER) cc_final: 0.9096 (tp) REVERT: C 1977 TYR cc_start: 0.8452 (OUTLIER) cc_final: 0.7859 (t80) REVERT: C 1996 ARG cc_start: 0.8440 (OUTLIER) cc_final: 0.7967 (ptm-80) REVERT: C 2188 ASN cc_start: 0.9019 (OUTLIER) cc_final: 0.8378 (t0) REVERT: C 2192 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7649 (m-80) REVERT: C 2196 ASN cc_start: 0.9386 (OUTLIER) cc_final: 0.9132 (m-40) REVERT: C 2203 MET cc_start: 0.8912 (OUTLIER) cc_final: 0.8560 (mtp) REVERT: C 2211 MET cc_start: 0.9049 (tmm) cc_final: 0.8747 (tmm) REVERT: C 2364 PHE cc_start: 0.8773 (OUTLIER) cc_final: 0.7419 (m-80) REVERT: C 2368 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8902 (mp) REVERT: C 2440 MET cc_start: 0.7215 (mmm) cc_final: 0.6966 (mmm) REVERT: C 2457 LEU cc_start: 0.9388 (OUTLIER) cc_final: 0.9096 (tt) REVERT: C 2776 SER cc_start: 0.5566 (OUTLIER) cc_final: 0.5302 (t) REVERT: C 2790 MET cc_start: 0.3897 (mpp) cc_final: 0.2804 (ptt) REVERT: C 2800 LYS cc_start: 0.3991 (OUTLIER) cc_final: 0.3517 (mmmt) REVERT: C 2805 TYR cc_start: 0.8213 (t80) cc_final: 0.7733 (t80) REVERT: C 2925 GLU cc_start: 0.3887 (OUTLIER) cc_final: 0.3648 (mt-10) REVERT: C 3639 THR cc_start: 0.8005 (OUTLIER) cc_final: 0.7758 (m) REVERT: C 3667 HIS cc_start: 0.8903 (m170) cc_final: 0.8628 (m-70) REVERT: C 3670 GLU cc_start: 0.8579 (OUTLIER) cc_final: 0.7785 (mp0) REVERT: C 3694 LYS cc_start: 0.9167 (OUTLIER) cc_final: 0.8907 (mmmm) REVERT: C 3707 ARG cc_start: 0.9217 (OUTLIER) cc_final: 0.8686 (ttt90) REVERT: C 3756 LYS cc_start: 0.8497 (OUTLIER) cc_final: 0.8234 (mtmm) REVERT: C 3771 HIS cc_start: 0.6859 (OUTLIER) cc_final: 0.6538 (t70) REVERT: C 3854 GLU cc_start: 0.7206 (OUTLIER) cc_final: 0.6722 (mm-30) REVERT: C 3902 TYR cc_start: 0.9274 (OUTLIER) cc_final: 0.8915 (t80) REVERT: C 3940 LYS cc_start: 0.8324 (OUTLIER) cc_final: 0.7526 (mmtm) REVERT: C 3948 LYS cc_start: 0.9138 (OUTLIER) cc_final: 0.8866 (mtpp) REVERT: C 3967 GLU cc_start: 0.9291 (OUTLIER) cc_final: 0.8919 (tp30) REVERT: C 4009 GLN cc_start: 0.8996 (OUTLIER) cc_final: 0.8133 (mt0) REVERT: C 4021 LYS cc_start: 0.9418 (OUTLIER) cc_final: 0.9199 (ttmt) REVERT: C 4042 ARG cc_start: 0.8592 (OUTLIER) cc_final: 0.8141 (mtm-85) REVERT: C 4050 GLU cc_start: 0.8714 (OUTLIER) cc_final: 0.8319 (tp30) REVERT: C 4090 LYS cc_start: 0.8454 (OUTLIER) cc_final: 0.8104 (ttmt) REVERT: C 4109 GLN cc_start: 0.8946 (OUTLIER) cc_final: 0.8459 (pp30) REVERT: C 4110 PHE cc_start: 0.9080 (OUTLIER) cc_final: 0.8554 (t80) REVERT: C 4580 TYR cc_start: 0.8503 (OUTLIER) cc_final: 0.7568 (m-80) REVERT: C 4796 MET cc_start: 0.7956 (OUTLIER) cc_final: 0.7291 (tmm) REVERT: C 4850 LEU cc_start: 0.9034 (OUTLIER) cc_final: 0.8780 (mm) REVERT: C 4869 GLU cc_start: 0.5590 (OUTLIER) cc_final: 0.5223 (mm-30) REVERT: C 4886 HIS cc_start: 0.8416 (OUTLIER) cc_final: 0.7683 (t-90) REVERT: C 4949 GLN cc_start: 0.8447 (OUTLIER) cc_final: 0.7608 (tp40) REVERT: C 4951 LYS cc_start: 0.9104 (OUTLIER) cc_final: 0.8803 (ttpp) REVERT: C 4960 ILE cc_start: 0.9179 (OUTLIER) cc_final: 0.8804 (mm) REVERT: C 4961 CYS cc_start: 0.9330 (OUTLIER) cc_final: 0.5483 (t) REVERT: C 4997 ASN cc_start: 0.8909 (OUTLIER) cc_final: 0.8583 (t0) REVERT: C 5006 GLN cc_start: 0.9188 (OUTLIER) cc_final: 0.8896 (mp10) REVERT: D 139 GLU cc_start: 0.8673 (OUTLIER) cc_final: 0.8358 (tp30) REVERT: D 150 MET cc_start: 0.8318 (OUTLIER) cc_final: 0.7056 (mpp) REVERT: D 257 ARG cc_start: 0.8107 (OUTLIER) cc_final: 0.7426 (mtt180) REVERT: D 265 LEU cc_start: 0.8680 (OUTLIER) cc_final: 0.8274 (mm) REVERT: D 275 ARG cc_start: 0.8717 (OUTLIER) cc_final: 0.8400 (mmm160) REVERT: D 276 TRP cc_start: 0.7858 (OUTLIER) cc_final: 0.7380 (m100) REVERT: D 302 VAL cc_start: 0.9306 (OUTLIER) cc_final: 0.8945 (p) REVERT: D 317 ARG cc_start: 0.8799 (OUTLIER) cc_final: 0.8438 (mtt90) REVERT: D 334 MET cc_start: 0.7316 (OUTLIER) cc_final: 0.6551 (mmm) REVERT: D 359 TYR cc_start: 0.7557 (OUTLIER) cc_final: 0.6736 (p90) REVERT: D 374 LYS cc_start: 0.8178 (OUTLIER) cc_final: 0.7838 (ptpp) REVERT: D 383 HIS cc_start: 0.8289 (OUTLIER) cc_final: 0.7805 (t70) REVERT: D 397 GLU cc_start: 0.7848 (OUTLIER) cc_final: 0.7354 (mp0) REVERT: D 426 ARG cc_start: 0.8137 (OUTLIER) cc_final: 0.7559 (ptp-170) REVERT: D 453 GLU cc_start: 0.9170 (OUTLIER) cc_final: 0.8531 (pm20) REVERT: D 616 SER cc_start: 0.9357 (OUTLIER) cc_final: 0.9131 (t) REVERT: D 623 GLU cc_start: 0.8029 (OUTLIER) cc_final: 0.7715 (mt-10) REVERT: D 629 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8894 (mtt90) REVERT: D 661 LYS cc_start: 0.8400 (OUTLIER) cc_final: 0.8026 (mmmt) REVERT: D 665 GLU cc_start: 0.8004 (OUTLIER) cc_final: 0.7619 (mm-30) REVERT: D 688 LEU cc_start: 0.9505 (OUTLIER) cc_final: 0.9080 (tp) REVERT: D 758 ARG cc_start: 0.8052 (OUTLIER) cc_final: 0.7695 (mmm-85) REVERT: D 771 PHE cc_start: 0.9609 (OUTLIER) cc_final: 0.9120 (p90) REVERT: D 812 HIS cc_start: 0.6419 (OUTLIER) cc_final: 0.6181 (t70) REVERT: D 813 GLU cc_start: 0.6492 (OUTLIER) cc_final: 0.5197 (tm-30) REVERT: D 1049 TYR cc_start: 0.6057 (OUTLIER) cc_final: 0.5632 (t80) REVERT: D 1051 TYR cc_start: 0.6087 (OUTLIER) cc_final: 0.5206 (m-80) REVERT: D 1109 LEU cc_start: 0.9394 (OUTLIER) cc_final: 0.9111 (tp) REVERT: D 1137 GLU cc_start: 0.8899 (OUTLIER) cc_final: 0.8246 (mm-30) REVERT: D 1164 LEU cc_start: 0.9216 (OUTLIER) cc_final: 0.8812 (pt) REVERT: D 1176 GLU cc_start: 0.7146 (OUTLIER) cc_final: 0.6781 (mp0) REVERT: D 1202 LEU cc_start: 0.9598 (OUTLIER) cc_final: 0.9321 (tp) REVERT: D 1230 MET cc_start: 0.8733 (OUTLIER) cc_final: 0.8251 (mtt) REVERT: D 1272 LEU cc_start: 0.9463 (OUTLIER) cc_final: 0.9254 (tp) REVERT: D 1607 ARG cc_start: 0.9388 (OUTLIER) cc_final: 0.8958 (ttt-90) REVERT: D 1636 MET cc_start: 0.8658 (OUTLIER) cc_final: 0.7757 (ppp) REVERT: D 1637 MET cc_start: 0.8577 (OUTLIER) cc_final: 0.7497 (ttp) REVERT: D 1646 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.8179 (ttp-170) REVERT: D 1728 ARG cc_start: 0.9052 (OUTLIER) cc_final: 0.8059 (ttp80) REVERT: D 1734 TYR cc_start: 0.9219 (OUTLIER) cc_final: 0.8420 (m-10) REVERT: D 1772 ARG cc_start: 0.8967 (OUTLIER) cc_final: 0.8359 (mpt-90) REVERT: D 1798 LEU cc_start: 0.8781 (OUTLIER) cc_final: 0.8513 (mp) REVERT: D 1827 ARG cc_start: 0.9207 (OUTLIER) cc_final: 0.8357 (ttm110) REVERT: D 1958 LEU cc_start: 0.9314 (OUTLIER) cc_final: 0.9108 (tp) REVERT: D 1977 TYR cc_start: 0.8412 (OUTLIER) cc_final: 0.7814 (t80) REVERT: D 1996 ARG cc_start: 0.8449 (OUTLIER) cc_final: 0.8023 (ptm-80) REVERT: D 2188 ASN cc_start: 0.9129 (OUTLIER) cc_final: 0.8493 (t0) REVERT: D 2192 TYR cc_start: 0.8504 (OUTLIER) cc_final: 0.7712 (m-80) REVERT: D 2196 ASN cc_start: 0.9372 (OUTLIER) cc_final: 0.9151 (m-40) REVERT: D 2203 MET cc_start: 0.8919 (OUTLIER) cc_final: 0.8591 (mtp) REVERT: D 2211 MET cc_start: 0.9022 (tmm) cc_final: 0.8717 (tmm) REVERT: D 2364 PHE cc_start: 0.8755 (OUTLIER) cc_final: 0.7387 (m-80) REVERT: D 2368 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8876 (mp) REVERT: D 2457 LEU cc_start: 0.9369 (OUTLIER) cc_final: 0.9133 (tt) REVERT: D 2790 MET cc_start: 0.3425 (mpp) cc_final: 0.2776 (ptt) REVERT: D 2800 LYS cc_start: 0.5009 (OUTLIER) cc_final: 0.4033 (ptmm) REVERT: D 2925 GLU cc_start: 0.3800 (OUTLIER) cc_final: 0.3580 (mt-10) REVERT: D 3639 THR cc_start: 0.7927 (OUTLIER) cc_final: 0.7698 (m) REVERT: D 3667 HIS cc_start: 0.8870 (m170) cc_final: 0.8600 (m-70) REVERT: D 3670 GLU cc_start: 0.8564 (OUTLIER) cc_final: 0.7771 (mp0) REVERT: D 3694 LYS cc_start: 0.9160 (OUTLIER) cc_final: 0.8901 (mmmm) REVERT: D 3707 ARG cc_start: 0.9226 (OUTLIER) cc_final: 0.8672 (ttt90) REVERT: D 3771 HIS cc_start: 0.6870 (OUTLIER) cc_final: 0.6549 (t70) REVERT: D 3854 GLU cc_start: 0.7221 (OUTLIER) cc_final: 0.6611 (mm-30) REVERT: D 3902 TYR cc_start: 0.9275 (OUTLIER) cc_final: 0.8913 (t80) REVERT: D 3940 LYS cc_start: 0.8207 (OUTLIER) cc_final: 0.7297 (mmtm) REVERT: D 3948 LYS cc_start: 0.9113 (OUTLIER) cc_final: 0.8854 (mtpp) REVERT: D 3967 GLU cc_start: 0.9285 (OUTLIER) cc_final: 0.8927 (tp30) REVERT: D 4009 GLN cc_start: 0.8939 (OUTLIER) cc_final: 0.8055 (mt0) REVERT: D 4031 LEU cc_start: 0.9450 (OUTLIER) cc_final: 0.9244 (tt) REVERT: D 4063 ASP cc_start: 0.9267 (OUTLIER) cc_final: 0.9041 (t70) REVERT: D 4090 LYS cc_start: 0.8457 (OUTLIER) cc_final: 0.8100 (ttmt) REVERT: D 4100 GLN cc_start: 0.9394 (OUTLIER) cc_final: 0.8851 (mt0) REVERT: D 4110 PHE cc_start: 0.9076 (OUTLIER) cc_final: 0.8593 (t80) REVERT: D 4229 GLU cc_start: 0.8954 (OUTLIER) cc_final: 0.8498 (pm20) REVERT: D 4580 TYR cc_start: 0.8644 (OUTLIER) cc_final: 0.7870 (m-80) REVERT: D 4662 ASN cc_start: 0.9570 (OUTLIER) cc_final: 0.9263 (t0) REVERT: D 4735 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8150 (tm-30) REVERT: D 4796 MET cc_start: 0.7912 (OUTLIER) cc_final: 0.7259 (tmm) REVERT: D 4821 LYS cc_start: 0.8921 (OUTLIER) cc_final: 0.8491 (mmmt) REVERT: D 4869 GLU cc_start: 0.5561 (OUTLIER) cc_final: 0.5286 (mm-30) REVERT: D 4886 HIS cc_start: 0.8455 (OUTLIER) cc_final: 0.7739 (t-90) REVERT: D 4949 GLN cc_start: 0.8522 (OUTLIER) cc_final: 0.7698 (tp40) REVERT: D 4951 LYS cc_start: 0.9115 (OUTLIER) cc_final: 0.8807 (ttpp) REVERT: D 4960 ILE cc_start: 0.9200 (OUTLIER) cc_final: 0.8831 (mm) REVERT: D 4961 CYS cc_start: 0.9329 (OUTLIER) cc_final: 0.5364 (t) REVERT: D 4997 ASN cc_start: 0.8916 (OUTLIER) cc_final: 0.8554 (t0) outliers start: 2920 outliers final: 2456 residues processed: 3348 average time/residue: 0.9120 time to fit residues: 5438.1990 Evaluate side-chains 3390 residues out of total 11244 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2796 poor density : 594 time to evaluate : 9.115 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 209 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 223 PHE Chi-restraints excluded: chain A residue 224 HIS Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 265 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 269 TRP Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 274 LEU Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 280 LEU Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 297 GLN 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 308 HIS Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 323 LEU Chi-restraints excluded: chain A residue 331 VAL Chi-restraints excluded: chain A residue 332 GLU Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 341 TYR Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 426 ARG Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 449 ILE Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 493 ARG Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 555 GLU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 576 ASN Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 588 SER Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 606 LEU Chi-restraints excluded: chain A residue 607 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 617 ASN Chi-restraints excluded: chain A residue 623 GLU Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 630 GLU Chi-restraints excluded: chain A residue 632 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 645 ARG Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 656 SER Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 664 PHE Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 681 HIS 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 717 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 731 THR Chi-restraints excluded: chain A residue 732 SER Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 740 PRO Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 747 CYS Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 764 VAL Chi-restraints excluded: chain A residue 765 GLN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 769 GLU Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 782 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 824 GLU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 871 ARG Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 879 HIS Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 897 ARG Chi-restraints excluded: chain A residue 912 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 929 LEU Chi-restraints excluded: chain A residue 935 LEU Chi-restraints excluded: chain A residue 949 ASN Chi-restraints excluded: chain A residue 950 LEU Chi-restraints excluded: chain A residue 955 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 973 SER Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1051 TYR Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1092 PHE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1144 GLN Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1156 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1177 THR Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1183 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1189 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1194 LEU Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1231 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1252 HIS Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1270 LEU Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1581 LEU Chi-restraints excluded: chain A residue 1591 CYS Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1633 PRO Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1644 GLU Chi-restraints excluded: chain A residue 1646 ARG Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1650 ILE Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1696 HIS Chi-restraints excluded: chain A residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1728 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1732 SER Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1735 ILE Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1737 PRO Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1804 LEU Chi-restraints excluded: chain A residue 1808 ARG Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1825 HIS Chi-restraints excluded: chain A residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1860 LYS Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1931 LEU Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1936 LYS Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1956 GLU Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1974 ARG Chi-restraints excluded: chain A residue 1977 TYR Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2028 ARG Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2100 HIS Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2112 GLN Chi-restraints excluded: chain A residue 2113 SER Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2123 LEU Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2144 ILE Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2179 ILE Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2196 ASN Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2201 LEU Chi-restraints excluded: chain A residue 2214 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2355 ARG Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2453 ILE Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 2737 PRO Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2800 LYS Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2814 LYS Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3668 SER Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3715 LYS Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3760 LYS Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3771 HIS Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3783 ILE Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3789 GLU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3848 GLU Chi-restraints excluded: chain A residue 3854 GLU Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain A residue 3921 ASP Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3940 LYS Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3951 PHE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3965 LEU Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3980 LEU Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4002 LYS Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4006 ASP Chi-restraints excluded: chain A residue 4009 GLN Chi-restraints excluded: chain A residue 4010 ILE Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4024 VAL Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4042 ARG Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4089 SER Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4091 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4152 GLU Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4169 SER Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4188 ARG Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4210 VAL Chi-restraints excluded: chain A residue 4214 LYS Chi-restraints excluded: chain A residue 4224 GLU Chi-restraints excluded: chain A residue 4229 GLU Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4555 LEU Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4579 PHE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4650 HIS Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4665 LYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4696 ASP Chi-restraints excluded: chain A residue 4697 VAL Chi-restraints excluded: chain A residue 4702 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET 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 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4829 SER Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4846 VAL Chi-restraints excluded: chain A residue 4847 VAL Chi-restraints excluded: chain A residue 4848 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4899 ASP Chi-restraints excluded: chain A residue 4909 TYR Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4944 ARG Chi-restraints excluded: chain A residue 4949 GLN Chi-restraints excluded: chain A residue 4951 LYS Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4981 GLU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5006 GLN Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5031 GLN Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 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 122 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 209 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 218 HIS Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 223 PHE Chi-restraints excluded: chain B residue 224 HIS Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 241 GLN Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 269 TRP Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 274 LEU Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 280 LEU Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 297 GLN Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 308 HIS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 323 LEU Chi-restraints excluded: chain B residue 331 VAL Chi-restraints excluded: chain B residue 332 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 341 TYR Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 426 ARG Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 449 ILE Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 493 ARG Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 520 ASN Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 555 GLU Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 576 ASN Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 588 SER Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 606 LEU Chi-restraints excluded: chain B residue 607 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 617 ASN Chi-restraints excluded: chain B residue 623 GLU Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 630 GLU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 656 SER Chi-restraints excluded: chain B residue 664 PHE Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 688 LEU Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 717 ASP Chi-restraints excluded: chain B residue 721 LEU Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 731 THR Chi-restraints excluded: chain B residue 732 SER Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 747 CYS Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 764 VAL Chi-restraints excluded: chain B residue 765 GLN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 769 GLU Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 782 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 811 CYS Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 824 GLU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 871 ARG Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 879 HIS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 884 LEU Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 888 GLU Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 897 ARG Chi-restraints excluded: chain B residue 912 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 929 LEU Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 949 ASN Chi-restraints excluded: chain B residue 950 LEU Chi-restraints excluded: chain B residue 955 LEU Chi-restraints excluded: chain B residue 959 TYR Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1039 LEU Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1051 TYR Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1092 PHE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1109 LEU 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 1130 GLN Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1144 GLN Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1156 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1167 GLU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1177 THR Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1183 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1189 LEU 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 1209 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1220 GLN Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1231 GLN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1591 CYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1633 PRO Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1644 GLU Chi-restraints excluded: chain B residue 1646 ARG Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1696 HIS Chi-restraints excluded: chain B residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1728 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1732 SER Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1735 ILE Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1737 PRO Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1804 LEU Chi-restraints excluded: chain B residue 1808 ARG Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1825 HIS Chi-restraints excluded: chain B residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1860 LYS Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1931 LEU Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1936 LYS Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1974 ARG Chi-restraints excluded: chain B residue 1977 TYR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2131 LEU Chi-restraints excluded: chain B residue 2135 LEU Chi-restraints excluded: chain B residue 2144 ILE Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2179 ILE Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2214 VAL Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2288 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2355 ARG Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2453 ILE Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2476 ILE Chi-restraints excluded: chain B residue 2737 PRO Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2800 LYS Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2813 LEU Chi-restraints excluded: chain B residue 2814 LYS Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2897 LYS Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2909 ASP Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3664 THR Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3668 SER Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3756 LYS Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3763 LEU 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 3771 HIS Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3783 ILE Chi-restraints excluded: chain B residue 3784 SER Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3797 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 3809 ASN Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3848 GLU Chi-restraints excluded: chain B residue 3854 GLU Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain B residue 3921 ASP Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3940 LYS Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3965 LEU Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3980 LEU Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4002 LYS Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4006 ASP Chi-restraints excluded: chain B residue 4009 GLN Chi-restraints excluded: chain B residue 4010 ILE Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4024 VAL Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4049 VAL 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 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4077 PHE Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4091 LYS Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4169 SER Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4188 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4198 SER Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4210 VAL Chi-restraints excluded: chain B residue 4224 GLU Chi-restraints excluded: chain B residue 4229 GLU Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4555 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4650 HIS Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4665 LYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4681 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4702 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4821 LYS Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4829 SER Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4846 VAL Chi-restraints excluded: chain B residue 4847 VAL Chi-restraints excluded: chain B residue 4848 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4909 TYR Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4923 PHE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4937 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4944 ARG Chi-restraints excluded: chain B residue 4949 GLN Chi-restraints excluded: chain B residue 4951 LYS Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4960 ILE 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 4967 TYR Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5006 GLN Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain B residue 5031 GLN Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain C residue 14 LEU 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 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 60 PRO Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 139 GLU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 209 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 241 GLN Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 269 TRP Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 274 LEU Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 280 LEU Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 297 GLN Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 308 HIS Chi-restraints excluded: chain C residue 310 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 323 LEU Chi-restraints excluded: chain C residue 331 VAL Chi-restraints excluded: chain C residue 332 GLU Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 341 TYR Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 426 ARG Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 449 ILE Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 493 ARG Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 520 ASN Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 555 GLU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 576 ASN Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 588 SER Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 606 LEU Chi-restraints excluded: chain C residue 607 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 617 ASN Chi-restraints excluded: chain C residue 623 GLU Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 632 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 645 ARG Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 656 SER Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 664 PHE Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 681 HIS 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 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 717 ASP Chi-restraints excluded: chain C residue 721 LEU Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 731 THR Chi-restraints excluded: chain C residue 732 SER Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 747 CYS Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 764 VAL Chi-restraints excluded: chain C residue 765 GLN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 769 GLU Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 782 SER Chi-restraints excluded: chain C residue 787 VAL 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 813 GLU Chi-restraints excluded: chain C residue 824 GLU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 871 ARG Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 879 HIS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 897 ARG Chi-restraints excluded: chain C residue 912 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 949 ASN Chi-restraints excluded: chain C residue 950 LEU Chi-restraints excluded: chain C residue 955 LEU Chi-restraints excluded: chain C residue 959 TYR Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1051 TYR Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1092 PHE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1100 MET Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1144 GLN Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1156 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1167 GLU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1177 THR Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1183 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1189 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1194 LEU Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1220 GLN Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1231 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1252 HIS Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1270 LEU Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1591 CYS Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1633 PRO Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1646 ARG Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1696 HIS Chi-restraints excluded: chain C residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1728 ARG Chi-restraints excluded: chain C residue 1729 SER Chi-restraints excluded: chain C residue 1732 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1735 ILE Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1737 PRO 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 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1804 LEU Chi-restraints excluded: chain C residue 1808 ARG Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1825 HIS Chi-restraints excluded: chain C residue 1827 ARG 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 1848 LEU Chi-restraints excluded: chain C residue 1851 MET Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1860 LYS Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1927 LEU Chi-restraints excluded: chain C residue 1931 LEU Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1956 GLU Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1974 ARG Chi-restraints excluded: chain C residue 1977 TYR Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2100 HIS Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2131 LEU Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2144 ILE Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2196 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2214 VAL Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2288 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2355 ARG Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 2477 PRO Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2776 SER Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2800 LYS Chi-restraints excluded: chain C residue 2801 ASP Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2814 LYS Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2897 LYS Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2909 ASP Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2925 GLU Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3664 THR Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3668 SER Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3715 LYS Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3756 LYS Chi-restraints excluded: chain C residue 3760 LYS Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3771 HIS Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3783 ILE Chi-restraints excluded: chain C residue 3784 SER Chi-restraints excluded: chain C residue 3789 GLU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3797 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 3809 ASN Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3839 CYS Chi-restraints excluded: chain C residue 3848 GLU Chi-restraints excluded: chain C residue 3854 GLU Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3921 ASP Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3940 LYS Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3965 LEU Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4006 ASP Chi-restraints excluded: chain C residue 4009 GLN Chi-restraints excluded: chain C residue 4010 ILE Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4024 VAL Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4042 ARG Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4077 PHE Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4091 LYS Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4133 GLN Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4169 SER Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4210 VAL Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4214 LYS Chi-restraints excluded: chain C residue 4224 GLU Chi-restraints excluded: chain C residue 4229 GLU Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4555 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 4581 LYS Chi-restraints excluded: chain C residue 4633 GLU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4650 HIS Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4665 LYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4696 ASP Chi-restraints excluded: chain C residue 4697 VAL Chi-restraints excluded: chain C residue 4702 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 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 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4796 MET 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 4818 MET Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4821 LYS Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4829 SER Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4846 VAL Chi-restraints excluded: chain C residue 4847 VAL Chi-restraints excluded: chain C residue 4848 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4860 ARG Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4909 TYR Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4935 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4944 ARG Chi-restraints excluded: chain C residue 4949 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4951 LYS Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5006 GLN Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5031 GLN Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain D residue 14 LEU 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 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 60 PRO Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU 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 122 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 142 THR 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 161 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 209 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 218 HIS Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 230 CYS Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 241 GLN Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 269 TRP Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 274 LEU Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 280 LEU Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 297 GLN Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 310 LYS Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 323 LEU Chi-restraints excluded: chain D residue 331 VAL Chi-restraints excluded: chain D residue 332 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 340 LYS Chi-restraints excluded: chain D residue 341 TYR Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 426 ARG Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 449 ILE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 493 ARG Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 520 ASN Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 544 LEU Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 555 GLU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 576 ASN Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 588 SER Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 606 LEU Chi-restraints excluded: chain D residue 607 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 617 ASN Chi-restraints excluded: chain D residue 623 GLU Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 630 GLU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 632 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 646 PRO Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 656 SER Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 664 PHE Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 688 LEU 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 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 717 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 731 THR Chi-restraints excluded: chain D residue 732 SER Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 747 CYS Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 764 VAL Chi-restraints excluded: chain D residue 765 GLN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 769 GLU Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 782 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 811 CYS Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 824 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 857 ASP Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 871 ARG Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 879 HIS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 897 ARG Chi-restraints excluded: chain D residue 912 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 935 LEU Chi-restraints excluded: chain D residue 943 ASP Chi-restraints excluded: chain D residue 949 ASN Chi-restraints excluded: chain D residue 950 LEU Chi-restraints excluded: chain D residue 959 TYR Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1038 SER Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1049 TYR Chi-restraints excluded: chain D residue 1051 TYR Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1092 PHE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1109 LEU 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 1127 HIS Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1144 GLN Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1156 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1177 THR Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1183 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1189 LEU 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 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1231 GLN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1252 HIS Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1581 LEU Chi-restraints excluded: chain D residue 1591 CYS Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1633 PRO Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1646 ARG Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1650 ILE Chi-restraints excluded: chain D residue 1654 SER 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 1673 VAL Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1696 HIS Chi-restraints excluded: chain D residue 1702 HIS 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1728 ARG Chi-restraints excluded: chain D residue 1729 SER Chi-restraints excluded: chain D residue 1732 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1735 ILE Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1737 PRO Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU 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 1825 HIS Chi-restraints excluded: chain D residue 1827 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 1848 LEU Chi-restraints excluded: chain D residue 1851 MET Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1860 LYS Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1931 LEU Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1936 LYS Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1974 ARG Chi-restraints excluded: chain D residue 1977 TYR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2100 HIS Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2123 LEU Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2144 ILE Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2179 ILE Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2196 ASN Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2214 VAL Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2288 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2355 ARG Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2359 ARG Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2476 ILE Chi-restraints excluded: chain D residue 2477 PRO Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2757 LYS Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2776 SER Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2800 LYS Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2813 LEU Chi-restraints excluded: chain D residue 2814 LYS Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2874 MET Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2897 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2925 GLU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 3639 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3664 THR Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3668 SER Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3715 LYS Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3760 LYS Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3771 HIS Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3784 SER Chi-restraints excluded: chain D residue 3789 GLU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3797 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 3825 GLU Chi-restraints excluded: chain D residue 3839 CYS Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3848 GLU Chi-restraints excluded: chain D residue 3854 GLU Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3881 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 3902 TYR 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 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3921 ASP Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3940 LYS Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3965 LEU Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4002 LYS Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4006 ASP Chi-restraints excluded: chain D residue 4009 GLN Chi-restraints excluded: chain D residue 4010 ILE Chi-restraints excluded: chain D residue 4024 VAL Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4050 GLU 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 4055 VAL Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4077 PHE Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4091 LYS 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 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4169 SER Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4188 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4198 SER Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4214 LYS Chi-restraints excluded: chain D residue 4224 GLU Chi-restraints excluded: chain D residue 4229 GLU Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4555 LEU Chi-restraints excluded: chain D residue 4565 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 4581 LYS Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU 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 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4696 ASP Chi-restraints excluded: chain D residue 4697 VAL Chi-restraints excluded: chain D residue 4702 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4735 GLU Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 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 4786 ASP 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 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4815 ASP Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4821 LYS Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4829 SER Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4846 VAL Chi-restraints excluded: chain D residue 4847 VAL Chi-restraints excluded: chain D residue 4848 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4909 TYR Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4935 LEU Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4944 ARG Chi-restraints excluded: chain D residue 4949 GLN Chi-restraints excluded: chain D residue 4951 LYS Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4960 ILE 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 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5031 GLN Chi-restraints excluded: chain D residue 5034 ASP 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 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 241 GLN ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2884 ASN ** A3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2187 ASN ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2756 ASN ** B2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4728 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2125 HIS C2187 ASN ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2884 ASN ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 597 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 923 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS D2187 ASN ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2773 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3833 GLN ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3242 r_free = 0.3242 target = 0.069697 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.2880 r_free = 0.2880 target = 0.055570 restraints weight = 563827.936| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 26)----------------| | r_work = 0.2840 r_free = 0.2840 target = 0.054563 restraints weight = 387765.918| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.2848 r_free = 0.2848 target = 0.054873 restraints weight = 384500.999| |-----------------------------------------------------------------------------| r_work (final): 0.2836 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8535 moved from start: 1.0353 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.056 0.354 119272 Z= 3.625 Angle : 3.258 32.385 162652 Z= 1.648 Chirality : 0.157 0.779 19028 Planarity : 0.020 0.178 21412 Dihedral : 15.015 179.830 17611 Min Nonbonded Distance : 1.738 Molprobity Statistics. All-atom Clashscore : 95.34 Ramachandran Plot: Outliers : 2.79 % Allowed : 37.02 % Favored : 60.19 % Rotamer: Outliers : 29.20 % Allowed : 27.15 % Favored : 43.65 % Cbeta Deviations : 0.92 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 10.69 % Twisted General : 4.27 % 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: -7.31 (0.05), residues: 12804 helix: -4.38 (0.04), residues: 5792 sheet: -4.32 (0.11), residues: 1260 loop : -5.53 (0.05), residues: 5752 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.084 0.011 TRP B5011 HIS 0.054 0.008 HIS A3771 PHE 0.140 0.011 PHE B1238 TYR 0.148 0.010 TYR D 692 ARG 0.035 0.003 ARG A2920 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 77898.54 seconds wall clock time: 1331 minutes 23.37 seconds (79883.37 seconds total)