Starting phenix.real_space_refine on Thu Feb 15 16:27:33 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdk_25832/02_2024/7tdk_25832_neut_updated.pdb" } resolution = 3.8 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.002 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 624 5.16 5 C 74116 2.51 5 N 20752 2.21 5 O 21620 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 PHE 316": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 439": "OE1" <-> "OE2" Residue "A GLU 453": "OE1" <-> "OE2" Residue "A GLU 462": "OE1" <-> "OE2" Residue "A GLU 509": "OE1" <-> "OE2" Residue "A GLU 580": "OE1" <-> "OE2" Residue "A ASP 619": "OD1" <-> "OD2" Residue "A ASP 710": "OD1" <-> "OD2" Residue "A PHE 757": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 1112": "OD1" <-> "OD2" Residue "A ASP 1118": "OD1" <-> "OD2" Residue "A GLU 1119": "OE1" <-> "OE2" Residue "A PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1214": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1644": "OE1" <-> "OE2" Residue "A GLU 1721": "OE1" <-> "OE2" Residue "A GLU 2205": "OE1" <-> "OE2" Residue "A GLU 2209": "OE1" <-> "OE2" Residue "A GLU 2347": "OE1" <-> "OE2" Residue "A GLU 3665": "OE1" <-> "OE2" Residue "A GLU 3712": "OE1" <-> "OE2" Residue "A TYR 3720": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 3789": "OE1" <-> "OE2" Residue "A ASP 3818": "OD1" <-> "OD2" Residue "A GLU 3825": "OE1" <-> "OE2" Residue "A ASP 3843": "OD1" <-> "OD2" Residue "A ASP 3878": "OD1" <-> "OD2" Residue "A GLU 3893": "OE1" <-> "OE2" Residue "A ASP 3898": "OD1" <-> "OD2" Residue "A GLU 3967": "OE1" <-> "OE2" Residue "A GLU 4011": "OE1" <-> "OE2" Residue "A ASP 4118": "OD1" <-> "OD2" Residue "A GLU 4172": "OE1" <-> "OE2" Residue "A GLU 4199": "OE1" <-> "OE2" Residue "A ASP 4240": "OD1" <-> "OD2" Residue "A PHE 4575": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4634": "OE1" <-> "OE2" Residue "A GLU 4676": "OE1" <-> "OE2" Residue "A ASP 4684": "OD1" <-> "OD2" Residue "A ASP 4695": "OD1" <-> "OD2" Residue "A ASP 4696": "OD1" <-> "OD2" Residue "A GLU 4735": "OE1" <-> "OE2" Residue "A GLU 4739": "OE1" <-> "OE2" Residue "A TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4815": "OD1" <-> "OD2" Residue "A GLU 4867": "OE1" <-> "OE2" Residue "A GLU 4869": "OE1" <-> "OE2" Residue "A ASP 4899": "OD1" <-> "OD2" Residue "A PHE 4959": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4966": "OD1" <-> "OD2" Residue "A GLU 4976": "OE1" <-> "OE2" Residue "A GLU 4981": "OE1" <-> "OE2" Residue "A GLU 4982": "OE1" <-> "OE2" Residue "A GLU 5002": "OE1" <-> "OE2" Residue "A GLU 5007": "OE1" <-> "OE2" Residue "A PHE 5021": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 139": "OE1" <-> "OE2" Residue "B PHE 316": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 439": "OE1" <-> "OE2" Residue "B GLU 453": "OE1" <-> "OE2" Residue "B GLU 462": "OE1" <-> "OE2" Residue "B GLU 509": "OE1" <-> "OE2" Residue "B GLU 580": "OE1" <-> "OE2" Residue "B ASP 619": "OD1" <-> "OD2" Residue "B ASP 710": "OD1" <-> "OD2" Residue "B PHE 757": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 1112": "OD1" <-> "OD2" Residue "B ASP 1118": "OD1" <-> "OD2" Residue "B GLU 1119": "OE1" <-> "OE2" Residue "B PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 1214": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 1644": "OE1" <-> "OE2" Residue "B GLU 1721": "OE1" <-> "OE2" Residue "B GLU 2205": "OE1" <-> "OE2" Residue "B GLU 2209": "OE1" <-> "OE2" Residue "B GLU 2347": "OE1" <-> "OE2" Residue "B GLU 3665": "OE1" <-> "OE2" Residue "B GLU 3712": "OE1" <-> "OE2" Residue "B TYR 3720": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 3789": "OE1" <-> "OE2" Residue "B ASP 3818": "OD1" <-> "OD2" Residue "B GLU 3825": "OE1" <-> "OE2" Residue "B ASP 3843": "OD1" <-> "OD2" Residue "B ASP 3878": "OD1" <-> "OD2" Residue "B GLU 3893": "OE1" <-> "OE2" Residue "B ASP 3898": "OD1" <-> "OD2" Residue "B GLU 3967": "OE1" <-> "OE2" Residue "B GLU 4011": "OE1" <-> "OE2" Residue "B ASP 4118": "OD1" <-> "OD2" Residue "B GLU 4172": "OE1" <-> "OE2" Residue "B GLU 4199": "OE1" <-> "OE2" Residue "B ASP 4240": "OD1" <-> "OD2" Residue "B PHE 4575": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 4634": "OE1" <-> "OE2" Residue "B GLU 4676": "OE1" <-> "OE2" Residue "B ASP 4684": "OD1" <-> "OD2" Residue "B ASP 4695": "OD1" <-> "OD2" Residue "B ASP 4696": "OD1" <-> "OD2" Residue "B GLU 4735": "OE1" <-> "OE2" Residue "B GLU 4739": "OE1" <-> "OE2" Residue "B TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 4815": "OD1" <-> "OD2" Residue "B GLU 4867": "OE1" <-> "OE2" Residue "B GLU 4869": "OE1" <-> "OE2" Residue "B ASP 4899": "OD1" <-> "OD2" Residue "B PHE 4959": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 4966": "OD1" <-> "OD2" Residue "B GLU 4976": "OE1" <-> "OE2" Residue "B GLU 4981": "OE1" <-> "OE2" Residue "B GLU 4982": "OE1" <-> "OE2" Residue "B GLU 5002": "OE1" <-> "OE2" Residue "B GLU 5007": "OE1" <-> "OE2" Residue "B PHE 5021": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 139": "OE1" <-> "OE2" Residue "C PHE 316": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 439": "OE1" <-> "OE2" Residue "C GLU 453": "OE1" <-> "OE2" Residue "C GLU 462": "OE1" <-> "OE2" Residue "C GLU 509": "OE1" <-> "OE2" Residue "C GLU 580": "OE1" <-> "OE2" Residue "C ASP 619": "OD1" <-> "OD2" Residue "C ASP 710": "OD1" <-> "OD2" Residue "C PHE 757": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 1112": "OD1" <-> "OD2" Residue "C ASP 1118": "OD1" <-> "OD2" Residue "C GLU 1119": "OE1" <-> "OE2" Residue "C PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 1214": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1644": "OE1" <-> "OE2" Residue "C GLU 1721": "OE1" <-> "OE2" Residue "C GLU 2205": "OE1" <-> "OE2" Residue "C GLU 2209": "OE1" <-> "OE2" Residue "C GLU 2347": "OE1" <-> "OE2" Residue "C GLU 3665": "OE1" <-> "OE2" Residue "C GLU 3712": "OE1" <-> "OE2" Residue "C TYR 3720": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 3789": "OE1" <-> "OE2" Residue "C ASP 3818": "OD1" <-> "OD2" Residue "C GLU 3825": "OE1" <-> "OE2" Residue "C ASP 3843": "OD1" <-> "OD2" Residue "C ASP 3878": "OD1" <-> "OD2" Residue "C GLU 3893": "OE1" <-> "OE2" Residue "C ASP 3898": "OD1" <-> "OD2" Residue "C GLU 3967": "OE1" <-> "OE2" Residue "C GLU 4011": "OE1" <-> "OE2" Residue "C ASP 4118": "OD1" <-> "OD2" Residue "C GLU 4172": "OE1" <-> "OE2" Residue "C GLU 4199": "OE1" <-> "OE2" Residue "C ASP 4240": "OD1" <-> "OD2" Residue "C PHE 4575": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 4634": "OE1" <-> "OE2" Residue "C GLU 4676": "OE1" <-> "OE2" Residue "C ASP 4684": "OD1" <-> "OD2" Residue "C ASP 4695": "OD1" <-> "OD2" Residue "C ASP 4696": "OD1" <-> "OD2" Residue "C GLU 4735": "OE1" <-> "OE2" Residue "C GLU 4739": "OE1" <-> "OE2" Residue "C TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4815": "OD1" <-> "OD2" Residue "C GLU 4867": "OE1" <-> "OE2" Residue "C GLU 4869": "OE1" <-> "OE2" Residue "C ASP 4899": "OD1" <-> "OD2" Residue "C PHE 4959": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 4966": "OD1" <-> "OD2" Residue "C GLU 4976": "OE1" <-> "OE2" Residue "C GLU 4981": "OE1" <-> "OE2" Residue "C GLU 4982": "OE1" <-> "OE2" Residue "C GLU 5002": "OE1" <-> "OE2" Residue "C GLU 5007": "OE1" <-> "OE2" Residue "C PHE 5021": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 139": "OE1" <-> "OE2" Residue "D PHE 316": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 439": "OE1" <-> "OE2" Residue "D GLU 453": "OE1" <-> "OE2" Residue "D GLU 462": "OE1" <-> "OE2" Residue "D GLU 509": "OE1" <-> "OE2" Residue "D GLU 580": "OE1" <-> "OE2" Residue "D ASP 619": "OD1" <-> "OD2" Residue "D ASP 710": "OD1" <-> "OD2" Residue "D PHE 757": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 920": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 1112": "OD1" <-> "OD2" Residue "D ASP 1118": "OD1" <-> "OD2" Residue "D GLU 1119": "OE1" <-> "OE2" Residue "D PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 1214": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1644": "OE1" <-> "OE2" Residue "D GLU 1721": "OE1" <-> "OE2" Residue "D GLU 2205": "OE1" <-> "OE2" Residue "D GLU 2209": "OE1" <-> "OE2" Residue "D GLU 2347": "OE1" <-> "OE2" Residue "D GLU 3665": "OE1" <-> "OE2" Residue "D GLU 3712": "OE1" <-> "OE2" Residue "D TYR 3720": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 3789": "OE1" <-> "OE2" Residue "D ASP 3818": "OD1" <-> "OD2" Residue "D GLU 3825": "OE1" <-> "OE2" Residue "D ASP 3843": "OD1" <-> "OD2" Residue "D ASP 3878": "OD1" <-> "OD2" Residue "D GLU 3893": "OE1" <-> "OE2" Residue "D ASP 3898": "OD1" <-> "OD2" Residue "D GLU 3967": "OE1" <-> "OE2" Residue "D GLU 4011": "OE1" <-> "OE2" Residue "D ASP 4118": "OD1" <-> "OD2" Residue "D GLU 4172": "OE1" <-> "OE2" Residue "D GLU 4199": "OE1" <-> "OE2" Residue "D ASP 4240": "OD1" <-> "OD2" Residue "D PHE 4575": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4634": "OE1" <-> "OE2" Residue "D GLU 4676": "OE1" <-> "OE2" Residue "D ASP 4684": "OD1" <-> "OD2" Residue "D ASP 4695": "OD1" <-> "OD2" Residue "D ASP 4696": "OD1" <-> "OD2" Residue "D GLU 4735": "OE1" <-> "OE2" Residue "D GLU 4739": "OE1" <-> "OE2" Residue "D TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4815": "OD1" <-> "OD2" Residue "D GLU 4867": "OE1" <-> "OE2" Residue "D GLU 4869": "OE1" <-> "OE2" Residue "D ASP 4899": "OD1" <-> "OD2" Residue "D PHE 4959": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4966": "OD1" <-> "OD2" Residue "D GLU 4976": "OE1" <-> "OE2" Residue "D GLU 4981": "OE1" <-> "OE2" Residue "D GLU 4982": "OE1" <-> "OE2" Residue "D GLU 5002": "OE1" <-> "OE2" Residue "D GLU 5007": "OE1" <-> "OE2" Residue "D PHE 5021": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.31s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 117136 Number of models: 1 Model: "" Number of chains: 8 Chain: "A" Number of atoms: 29250 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29250 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2875 Unresolved non-hydrogen angles: 4034 Unresolved non-hydrogen dihedrals: 1768 Unresolved non-hydrogen chiralities: 43 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 38, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 4, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1659 Chain: "B" Number of atoms: 29250 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29250 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2875 Unresolved non-hydrogen angles: 4034 Unresolved non-hydrogen dihedrals: 1768 Unresolved non-hydrogen chiralities: 43 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 38, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 4, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1659 Chain: "C" Number of atoms: 29250 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29250 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2875 Unresolved non-hydrogen angles: 4034 Unresolved non-hydrogen dihedrals: 1768 Unresolved non-hydrogen chiralities: 43 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 38, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 4, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1659 Chain: "D" Number of atoms: 29250 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29250 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2875 Unresolved non-hydrogen angles: 4034 Unresolved non-hydrogen dihedrals: 1768 Unresolved non-hydrogen chiralities: 43 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 38, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 4, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1659 Chain: "A" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "B" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "C" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "D" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 28578 SG CYS A4958 180.929 207.763 102.322 1.00 68.39 S ATOM 28603 SG CYS A4961 180.216 205.855 99.257 1.00 61.50 S ATOM 57828 SG CYS B4958 181.218 180.985 102.243 1.00 68.39 S ATOM 57853 SG CYS B4961 183.123 180.269 99.178 1.00 61.50 S ATOM 87078 SG CYS C4958 208.013 181.210 102.335 1.00 68.39 S ATOM 87103 SG CYS C4961 208.727 183.118 99.271 1.00 61.50 S ATOM A0CLK SG CYS D4958 207.767 208.022 102.328 1.00 68.39 S ATOM A0CM9 SG CYS D4961 205.859 208.735 99.264 1.00 61.50 S Time building chain proxies: 43.07, per 1000 atoms: 0.37 Number of scatterers: 117136 At special positions: 0 Unit cell: (390.065, 390.065, 193.375, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 4 29.99 Ca 8 19.99 S 624 16.00 P 12 15.00 O 21620 8.00 N 20752 7.00 C 74116 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=4, symmetry=0 Simple disulfide: pdb=" SG CYS A4876 " - pdb=" SG CYS A4882 " distance=2.04 Simple disulfide: pdb=" SG CYS B4876 " - pdb=" SG CYS B4882 " distance=2.04 Simple disulfide: pdb=" SG CYS C4876 " - pdb=" SG CYS C4882 " distance=2.04 Simple disulfide: pdb=" SG CYS D4876 " - pdb=" SG CYS D4882 " distance=2.04 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: 33.31 Conformation dependent library (CDL) restraints added in 13.0 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5102 " pdb="ZN ZN A5102 " - pdb=" SG CYS A4958 " pdb="ZN ZN A5102 " - pdb=" SG CYS A4961 " pdb="ZN ZN A5102 " - pdb=" NE2 HIS A4978 " pdb="ZN ZN A5102 " - pdb=" ND1 HIS A4983 " pdb=" ZN B5102 " pdb="ZN ZN B5102 " - pdb=" SG CYS B4958 " pdb="ZN ZN B5102 " - pdb=" NE2 HIS B4978 " pdb="ZN ZN B5102 " - pdb=" SG CYS B4961 " pdb=" ZN C5102 " pdb="ZN ZN C5102 " - pdb=" SG CYS C4961 " pdb="ZN ZN C5102 " - pdb=" SG CYS C4958 " pdb="ZN ZN C5102 " - pdb=" ND1 HIS C4983 " pdb=" ZN D5102 " pdb="ZN ZN D5102 " - pdb=" ND1 HIS D4983 " pdb="ZN ZN D5102 " - pdb=" SG CYS D4961 " pdb="ZN ZN D5102 " - pdb=" SG CYS D4958 " Number of angles added : 1 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31360 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 492 helices and 44 sheets defined 55.3% alpha, 7.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 28.93 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.909A 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: 4.324A pdb=" N CYS A 253 " --> pdb=" O GLY A 249 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N THR A 254 " --> pdb=" O GLY A 250 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 5.334A 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 308 through 313 removed outlier: 6.724A pdb=" N THR A 312 " --> pdb=" O HIS A 308 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER A 313 " --> pdb=" O THR A 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 308 through 313' Processing helix chain 'A' and resid 364 through 371 removed outlier: 3.620A pdb=" N LEU A 369 " --> pdb=" O LYS A 365 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N GLY A 370 " --> pdb=" O ALA A 366 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N VAL A 371 " --> pdb=" O LEU A 367 " (cutoff:3.500A) Processing helix chain 'A' and resid 396 through 423 removed outlier: 3.796A pdb=" N ASP A 419 " --> pdb=" O ILE A 415 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N SER A 420 " --> pdb=" O LYS A 416 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N PHE A 421 " --> pdb=" O GLY A 417 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SER A 422 " --> pdb=" O LEU A 418 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N GLY A 423 " --> pdb=" O ASP A 419 " (cutoff:3.500A) Processing helix chain 'A' and resid 437 through 453 removed outlier: 3.952A pdb=" N VAL A 441 " --> pdb=" O PRO A 437 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N ILE A 442 " --> pdb=" O ILE A 438 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEU A 443 " --> pdb=" O GLU A 439 " (cutoff:3.500A) Processing helix chain 'A' and resid 460 through 482 removed outlier: 3.799A pdb=" N GLU A 480 " --> pdb=" O SER A 476 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLU A 481 " --> pdb=" O LEU A 477 " (cutoff:3.500A) removed outlier: 5.245A pdb=" N GLY A 482 " --> pdb=" O PHE A 478 " (cutoff:3.500A) Processing helix chain 'A' and resid 483 through 496 removed outlier: 4.376A pdb=" N VAL A 487 " --> pdb=" O MET A 483 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N CYS A 490 " --> pdb=" O LEU A 486 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N VAL A 496 " --> pdb=" O ASP A 492 " (cutoff:3.500A) Processing helix chain 'A' and resid 511 through 532 removed outlier: 4.460A pdb=" N TRP A 515 " --> pdb=" O ALA A 511 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N GLY A 532 " --> pdb=" O SER A 528 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 541 removed outlier: 3.641A pdb=" N CYS A 537 " --> pdb=" O ASN A 533 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N LEU A 539 " --> pdb=" O ALA A 535 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) removed outlier: 5.324A pdb=" N SER A 541 " --> pdb=" O CYS A 537 " (cutoff:3.500A) Processing helix chain 'A' and resid 543 through 551 removed outlier: 3.668A pdb=" N LYS A 550 " --> pdb=" O TRP A 546 " (cutoff:3.500A) removed outlier: 4.995A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 556 through 571 removed outlier: 3.734A pdb=" N VAL A 567 " --> pdb=" O VAL A 563 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEU A 568 " --> pdb=" O LEU A 564 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N ILE A 569 " --> pdb=" O TYR A 565 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU A 570 " --> pdb=" O CYS A 566 " (cutoff:3.500A) Processing helix chain 'A' and resid 572 through 578 removed outlier: 4.550A pdb=" N ASN A 576 " --> pdb=" O PRO A 572 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) removed outlier: 4.007A 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: 3.558A pdb=" N LEU A 590 " --> pdb=" O ILE A 586 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP A 591 " --> pdb=" O ILE A 587 " (cutoff:3.500A) Processing helix chain 'A' and resid 596 through 609 removed outlier: 3.693A pdb=" N LEU A 600 " --> pdb=" O ASN A 596 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 625 removed outlier: 4.326A pdb=" N GLN A 618 " --> pdb=" O VAL A 614 " (cutoff:3.500A) Processing helix chain 'A' and resid 868 through 890 removed outlier: 3.856A pdb=" N GLU A 872 " --> pdb=" O GLU A 868 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N LYS A 873 " --> pdb=" O ARG A 869 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N TRP A 882 " --> pdb=" O ILE A 878 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA A 883 " --> pdb=" O HIS A 879 " (cutoff:3.500A) removed outlier: 4.562A pdb=" N GLU A 888 " --> pdb=" O LEU A 884 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N GLN A 889 " --> pdb=" O THR A 885 " (cutoff:3.500A) Processing helix chain 'A' and resid 914 through 935 removed outlier: 5.178A pdb=" N LEU A 935 " --> pdb=" O THR A 931 " (cutoff:3.500A) Processing helix chain 'A' and resid 943 through 948 removed outlier: 6.279A pdb=" N GLU A 947 " --> pdb=" O ASP A 943 " (cutoff:3.500A) removed outlier: 3.949A 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 removed outlier: 3.759A pdb=" N MET A 960 " --> pdb=" O PRO A 956 " (cutoff:3.500A) Processing helix chain 'A' and resid 978 through 1001 removed outlier: 4.303A pdb=" N THR A 982 " --> pdb=" O THR A 978 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ASP A 999 " --> pdb=" O VAL A 995 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG A1000 " --> pdb=" O TRP A 996 " (cutoff:3.500A) Processing helix chain 'A' and resid 1029 through 1045 removed outlier: 3.569A pdb=" N ASP A1037 " --> pdb=" O ARG A1033 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N SER A1038 " --> pdb=" O SER A1034 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N LEU A1039 " --> pdb=" O ASN A1035 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N THR A1045 " --> pdb=" O GLN A1041 " (cutoff:3.500A) Processing helix chain 'A' and resid 1574 through 1581 removed outlier: 3.800A pdb=" N ALA A1578 " --> pdb=" O PRO A1574 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N MET A1579 " --> pdb=" O LEU A1575 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N PHE A1580 " --> pdb=" O SER A1576 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU A1581 " --> pdb=" O ALA A1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1574 through 1581' Processing helix chain 'A' and resid 1649 through 1654 removed outlier: 4.098A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 4.957A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1649 through 1654' Processing helix chain 'A' and resid 1656 through 1675 removed outlier: 6.007A pdb=" N GLN A1660 " --> pdb=" O ARG A1656 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ARG A1661 " --> pdb=" O LEU A1657 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS A1674 " --> pdb=" O TYR A1670 " (cutoff:3.500A) Processing helix chain 'A' and resid 1678 through 1690 removed outlier: 4.688A pdb=" N ALA A1682 " --> pdb=" O ASN A1678 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N HIS A1683 " --> pdb=" O ASN A1679 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ALA A1684 " --> pdb=" O ARG A1680 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ASP A1690 " --> pdb=" O CYS A1686 " (cutoff:3.500A) Processing helix chain 'A' and resid 1691 through 1701 removed outlier: 3.820A pdb=" N LEU A1698 " --> pdb=" O LEU A1694 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) removed outlier: 5.971A pdb=" N ALA A1701 " --> pdb=" O ALA A1697 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1719 removed outlier: 6.844A pdb=" N ARG A1708 " --> pdb=" O PRO A1704 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA A1709 " --> pdb=" O GLY A1705 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS A1719 " --> pdb=" O LEU A1715 " (cutoff:3.500A) Processing helix chain 'A' and resid 1720 through 1732 removed outlier: 4.578A pdb=" N SER A1732 " --> pdb=" O ARG A1728 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1745 removed outlier: 4.153A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) Processing helix chain 'A' and resid 1754 through 1759 removed outlier: 4.287A pdb=" N ARG A1759 " --> pdb=" O GLY A1755 " (cutoff:3.500A) Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 3.700A pdb=" N LEU A1807 " --> pdb=" O PRO A1803 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP A1809 " --> pdb=" O GLU A1805 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL A1819 " --> pdb=" O LEU A1815 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ARG A1820 " --> pdb=" O GLY A1816 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLN A1824 " --> pdb=" O ARG A1820 " (cutoff:3.500A) removed outlier: 4.455A 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: 3.692A pdb=" N MET A1851 " --> pdb=" O THR A1847 " (cutoff:3.500A) Processing helix chain 'A' and resid 1855 through 1865 removed outlier: 4.020A pdb=" N MET A1865 " --> pdb=" O GLN A1861 " (cutoff:3.500A) Processing helix chain 'A' and resid 1932 through 1984 removed outlier: 7.021A pdb=" N LYS A1936 " --> pdb=" O PRO A1932 " (cutoff:3.500A) removed outlier: 5.878A pdb=" N LEU A1937 " --> pdb=" O GLU A1933 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N GLN A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N TYR A1945 " --> pdb=" O ASN A1941 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N PHE A1946 " --> pdb=" O LEU A1942 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU A1950 " --> pdb=" O PHE A1946 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU A1951 " --> pdb=" O CYS A1947 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLU A1963 " --> pdb=" O ALA A1959 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ARG A1964 " --> pdb=" O ALA A1960 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N PHE A1984 " --> pdb=" O LEU A1980 " (cutoff:3.500A) Processing helix chain 'A' and resid 1987 through 1999 removed outlier: 4.146A pdb=" N ARG A1996 " --> pdb=" O ALA A1992 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLU A1997 " --> pdb=" O ARG A1993 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N PHE A1998 " --> pdb=" O ARG A1994 " (cutoff:3.500A) Processing helix chain 'A' and resid 2001 through 2015 removed outlier: 3.571A pdb=" N LEU A2009 " --> pdb=" O GLN A2005 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LEU A2010 " --> pdb=" O ILE A2006 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N GLU A2015 " --> pdb=" O HIS A2011 " (cutoff:3.500A) Processing helix chain 'A' and resid 2027 through 2043 removed outlier: 4.730A pdb=" N LEU A2031 " --> pdb=" O ILE A2027 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLN A2032 " --> pdb=" O ARG A2028 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2109 removed outlier: 3.519A pdb=" N VAL A2103 " --> pdb=" O SER A2099 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASP A2109 " --> pdb=" O TRP A2105 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 3.720A pdb=" N LEU A2123 " --> pdb=" O ALA A2119 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N GLY A2130 " --> pdb=" O ARG A2126 " (cutoff:3.500A) Processing helix chain 'A' and resid 2131 through 2142 Proline residue: A2139 - end of helix removed outlier: 5.700A pdb=" N TYR A2142 " --> pdb=" O LEU A2138 " (cutoff:3.500A) Processing helix chain 'A' and resid 2148 through 2169 removed outlier: 4.272A pdb=" N SER A2154 " --> pdb=" O GLU A2150 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LEU A2155 " --> pdb=" O ASP A2151 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) removed outlier: 5.590A pdb=" N GLN A2169 " --> pdb=" O LEU A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2188 removed outlier: 3.578A pdb=" N ASN A2176 " --> pdb=" O PRO A2172 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU A2177 " --> pdb=" O GLN A2173 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ASN A2187 " --> pdb=" O GLY A2183 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) Processing helix chain 'A' and resid 2189 through 2195 removed outlier: 4.542A pdb=" N GLN A2193 " --> pdb=" O LYS A2189 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N HIS A2194 " --> pdb=" O VAL A2190 " (cutoff:3.500A) Proline residue: A2195 - end of helix No H-bonds generated for 'chain 'A' and resid 2189 through 2195' Processing helix chain 'A' and resid 2196 through 2202 Processing helix chain 'A' and resid 2203 through 2216 removed outlier: 3.926A pdb=" N ASN A2213 " --> pdb=" O GLU A2209 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N VAL A2214 " --> pdb=" O VAL A2210 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEU A2215 " --> pdb=" O MET A2211 " (cutoff:3.500A) Processing helix chain 'A' and resid 2227 through 2244 removed outlier: 4.449A pdb=" N SER A2231 " --> pdb=" O LYS A2227 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2255 removed outlier: 4.199A pdb=" N SER A2249 " --> pdb=" O GLN A2245 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N HIS A2253 " --> pdb=" O SER A2249 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N LEU A2254 " --> pdb=" O MET A2250 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N SER A2255 " --> pdb=" O PHE A2251 " (cutoff:3.500A) Processing helix chain 'A' and resid 2256 through 2265 removed outlier: 3.631A pdb=" N ASN A2260 " --> pdb=" O TYR A2256 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N ILE A2263 " --> pdb=" O GLU A2259 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY A2264 " --> pdb=" O ASN A2260 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LEU A2265 " --> pdb=" O SER A2261 " (cutoff:3.500A) Processing helix chain 'A' and resid 2271 through 2282 removed outlier: 3.846A pdb=" N VAL A2275 " --> pdb=" O THR A2271 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA A2276 " --> pdb=" O PRO A2272 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ILE A2281 " --> pdb=" O ALA A2277 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N ASP A2282 " --> pdb=" O ALA A2278 " (cutoff:3.500A) Processing helix chain 'A' and resid 2286 through 2291 removed outlier: 3.703A pdb=" N LEU A2290 " --> pdb=" O LEU A2286 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN A2291 " --> pdb=" O ALA A2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2286 through 2291' Processing helix chain 'A' and resid 2294 through 2309 removed outlier: 3.780A pdb=" N VAL A2299 " --> pdb=" O LEU A2295 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N SER A2300 " --> pdb=" O GLU A2296 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N TYR A2301 " --> pdb=" O LYS A2297 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU A2302 " --> pdb=" O VAL A2298 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU A2307 " --> pdb=" O ALA A2303 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N SER A2309 " --> pdb=" O CYS A2305 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2315 removed outlier: 3.830A pdb=" N LEU A2314 " --> pdb=" O CYS A2310 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ALA A2315 " --> pdb=" O PRO A2311 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2310 through 2315' Processing helix chain 'A' and resid 2324 through 2341 removed outlier: 3.705A pdb=" N GLY A2328 " --> pdb=" O ASN A2324 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEU A2332 " --> pdb=" O GLY A2328 " (cutoff:3.500A) removed outlier: 5.490A pdb=" N ASP A2333 " --> pdb=" O GLU A2329 " (cutoff:3.500A) removed outlier: 5.736A pdb=" N PHE A2334 " --> pdb=" O ARG A2330 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N LEU A2335 " --> pdb=" O TYR A2331 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N VAL A2341 " --> pdb=" O PHE A2337 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2361 removed outlier: 3.856A pdb=" N VAL A2352 " --> pdb=" O GLU A2348 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ARG A2359 " --> pdb=" O ARG A2355 " (cutoff:3.500A) removed outlier: 4.563A 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: 4.485A pdb=" N ARG A2452 " --> pdb=" O GLY A2448 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE A2453 " --> pdb=" O GLU A2449 " (cutoff:3.500A) Proline residue: A2462 - end of helix Processing helix chain 'A' and resid 2464 through 2472 removed outlier: 4.296A pdb=" N GLY A2468 " --> pdb=" O ASP A2464 " (cutoff:3.500A) Processing helix chain 'A' and resid 2751 through 2774 removed outlier: 5.004A pdb=" N ILE A2755 " --> pdb=" O LEU A2751 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N THR A2762 " --> pdb=" O PHE A2758 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N HIS A2763 " --> pdb=" O ALA A2759 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU A2764 " --> pdb=" O GLU A2760 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N LYS A2765 " --> pdb=" O TYR A2761 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TRP A2766 " --> pdb=" O THR A2762 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ALA A2767 " --> pdb=" O HIS A2763 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE A2768 " --> pdb=" O GLU A2764 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASP A2769 " --> pdb=" O LYS A2765 " (cutoff:3.500A) removed outlier: 5.884A pdb=" N LYS A2770 " --> pdb=" O TRP A2766 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N ILE A2771 " --> pdb=" O ALA A2767 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N GLN A2772 " --> pdb=" O PHE A2768 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ASN A2773 " --> pdb=" O ASP A2769 " (cutoff:3.500A) Processing helix chain 'A' and resid 2798 through 2804 removed outlier: 4.577A pdb=" N LYS A2802 " --> pdb=" O SER A2798 " (cutoff:3.500A) Processing helix chain 'A' and resid 2807 through 2813 removed outlier: 4.270A pdb=" N GLU A2811 " --> pdb=" O TRP A2807 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N SER A2812 " --> pdb=" O PRO A2808 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEU A2813 " --> pdb=" O ILE A2809 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2807 through 2813' Processing helix chain 'A' and resid 2868 through 2873 removed outlier: 5.176A pdb=" N GLN A2872 " --> pdb=" O SER A2868 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ALA A2873 " --> pdb=" O ARG A2869 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2868 through 2873' Processing helix chain 'A' and resid 2874 through 2891 removed outlier: 4.589A pdb=" N ALA A2879 " --> pdb=" O ALA A2875 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASN A2881 " --> pdb=" O GLN A2877 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N TYR A2882 " --> pdb=" O LEU A2878 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N LYS A2890 " --> pdb=" O TRP A2886 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N LYS A2891 " --> pdb=" O GLY A2887 " (cutoff:3.500A) Processing helix chain 'A' and resid 2919 through 2930 removed outlier: 4.480A pdb=" N ALA A2923 " --> pdb=" O ASP A2919 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU A2925 " --> pdb=" O GLU A2921 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N LYS A2928 " --> pdb=" O GLN A2924 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N PHE A2929 " --> pdb=" O GLU A2925 " (cutoff:3.500A) Processing helix chain 'A' and resid 3645 through 3657 removed outlier: 3.828A pdb=" N GLU A3655 " --> pdb=" O ASN A3651 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N SER A3656 " --> pdb=" O MET A3652 " (cutoff:3.500A) removed outlier: 5.236A pdb=" N TYR A3657 " --> pdb=" O PHE A3653 " (cutoff:3.500A) Processing helix chain 'A' and resid 3668 through 3680 removed outlier: 4.364A pdb=" N ALA A3680 " --> pdb=" O ASP A3676 " (cutoff:3.500A) Processing helix chain 'A' and resid 3683 through 3688 Processing helix chain 'A' and resid 3696 through 3712 removed outlier: 5.576A pdb=" N GLU A3712 " --> pdb=" O THR A3708 " (cutoff:3.500A) Processing helix chain 'A' and resid 3719 through 3735 removed outlier: 4.085A pdb=" N ASP A3727 " --> pdb=" O MET A3723 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N CYS A3733 " --> pdb=" O MET A3729 " (cutoff:3.500A) Processing helix chain 'A' and resid 3752 through 3771 removed outlier: 3.914A pdb=" N LEU A3770 " --> pdb=" O GLN A3766 " (cutoff:3.500A) Processing helix chain 'A' and resid 3774 through 3787 removed outlier: 4.115A pdb=" N MET A3778 " --> pdb=" O GLY A3774 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL A3779 " --> pdb=" O ALA A3775 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU A3780 " --> pdb=" O ALA A3776 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N LYS A3787 " --> pdb=" O ILE A3783 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 removed outlier: 3.656A pdb=" N SER A3795 " --> pdb=" O GLY A3791 " (cutoff:3.500A) Processing helix chain 'A' and resid 3809 through 3824 Processing helix chain 'A' and resid 3826 through 3839 removed outlier: 6.674A pdb=" N GLN A3830 " --> pdb=" O VAL A3826 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3843 through 3858 removed outlier: 4.920A pdb=" N MET A3858 " --> pdb=" O GLU A3854 " (cutoff:3.500A) Processing helix chain 'A' and resid 3862 through 3872 removed outlier: 4.578A pdb=" N GLU A3872 " --> pdb=" O ARG A3868 " (cutoff:3.500A) Processing helix chain 'A' and resid 3877 through 3893 removed outlier: 3.744A pdb=" N CYS A3892 " --> pdb=" O LEU A3888 " (cutoff:3.500A) Processing helix chain 'A' and resid 3896 through 3905 removed outlier: 3.707A pdb=" N ARG A3904 " --> pdb=" O GLN A3900 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3939 removed outlier: 3.947A pdb=" N CYS A3918 " --> pdb=" O ASN A3914 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLY A3939 " --> pdb=" O TRP A3935 " (cutoff:3.500A) Processing helix chain 'A' and resid 3944 through 3970 removed outlier: 3.709A pdb=" N GLN A3960 " --> pdb=" O SER A3956 " (cutoff:3.500A) Processing helix chain 'A' and resid 3973 through 3984 removed outlier: 4.923A pdb=" N ARG A3984 " --> pdb=" O LEU A3980 " (cutoff:3.500A) Processing helix chain 'A' and resid 3985 through 4004 Processing helix chain 'A' and resid 4009 through 4032 removed outlier: 3.740A pdb=" N LEU A4031 " --> pdb=" O LEU A4027 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N GLU A4032 " --> pdb=" O LEU A4028 " (cutoff:3.500A) Processing helix chain 'A' and resid 4039 through 4052 removed outlier: 5.909A pdb=" N GLN A4043 " --> pdb=" O MET A4039 " (cutoff:3.500A) Processing helix chain 'A' and resid 4053 through 4074 removed outlier: 3.512A pdb=" N PHE A4065 " --> pdb=" O PHE A4061 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLY A4073 " --> pdb=" O LYS A4069 " (cutoff:3.500A) Processing helix chain 'A' and resid 4075 through 4082 removed outlier: 4.413A pdb=" N THR A4082 " --> pdb=" O GLN A4078 " (cutoff:3.500A) Processing helix chain 'A' and resid 4089 through 4101 removed outlier: 3.578A pdb=" N GLN A4094 " --> pdb=" O LYS A4090 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LYS A4095 " --> pdb=" O LYS A4091 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LYS A4101 " --> pdb=" O MET A4097 " (cutoff:3.500A) Processing helix chain 'A' and resid 4104 through 4116 removed outlier: 3.706A pdb=" N ILE A4108 " --> pdb=" O THR A4104 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLN A4109 " --> pdb=" O GLY A4105 " (cutoff:3.500A) removed outlier: 5.171A pdb=" N GLU A4116 " --> pdb=" O LEU A4112 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4132 removed outlier: 5.408A pdb=" N PHE A4132 " --> pdb=" O PHE A4128 " (cutoff:3.500A) Processing helix chain 'A' and resid 4134 through 4155 removed outlier: 4.572A pdb=" N ASP A4138 " --> pdb=" O GLU A4134 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ILE A4139 " --> pdb=" O PRO A4135 " (cutoff:3.500A) Proline residue: A4155 - end of helix Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 4.024A pdb=" N ARG A4161 " --> pdb=" O ASP A4157 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASN A4162 " --> pdb=" O PRO A4158 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE A4163 " --> pdb=" O ARG A4159 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4179 Proline residue: A4176 - end of helix removed outlier: 5.790A pdb=" N GLY A4179 " --> pdb=" O ARG A4175 " (cutoff:3.500A) Processing helix chain 'A' and resid 4198 through 4207 removed outlier: 3.502A pdb=" N ARG A4202 " --> pdb=" O SER A4198 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N MET A4207 " --> pdb=" O ALA A4203 " (cutoff:3.500A) Processing helix chain 'A' and resid 4208 through 4224 Processing helix chain 'A' and resid 4229 through 4252 removed outlier: 3.569A pdb=" N PHE A4243 " --> pdb=" O GLU A4239 " (cutoff:3.500A) Processing helix chain 'A' and resid 4540 through 4559 removed outlier: 3.918A pdb=" N PHE A4559 " --> pdb=" O LEU A4555 " (cutoff:3.500A) Processing helix chain 'A' and resid 4560 through 4580 removed outlier: 5.013A pdb=" N TYR A4580 " --> pdb=" O ILE A4576 " (cutoff:3.500A) Processing helix chain 'A' and resid 4642 through 4684 removed outlier: 4.220A pdb=" N LEU A4646 " --> pdb=" O ALA A4642 " (cutoff:3.500A) removed outlier: 4.588A 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 4708 removed outlier: 3.874A pdb=" N GLN A4700 " --> pdb=" O ASP A4696 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEU A4704 " --> pdb=" O GLN A4700 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N VAL A4705 " --> pdb=" O TRP A4701 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N LEU A4706 " --> pdb=" O ASP A4702 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ASN A4707 " --> pdb=" O ARG A4703 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR A4708 " --> pdb=" O LEU A4704 " (cutoff:3.500A) Processing helix chain 'A' and resid 4719 through 4728 Processing helix chain 'A' and resid 4733 through 4742 removed outlier: 4.621A pdb=" N GLY A4742 " --> pdb=" O ALA A4738 " (cutoff:3.500A) Processing helix chain 'A' and resid 4749 through 4755 Processing helix chain 'A' and resid 4772 through 4787 removed outlier: 5.450A pdb=" N ASN A4787 " --> pdb=" O ILE A4783 " (cutoff:3.500A) Processing helix chain 'A' and resid 4788 through 4802 removed outlier: 3.758A pdb=" N LEU A4792 " --> pdb=" O SER A4788 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N GLY A4802 " --> pdb=" O MET A4798 " (cutoff:3.500A) Processing helix chain 'A' and resid 4807 through 4820 removed outlier: 4.020A pdb=" N ALA A4811 " --> pdb=" O PHE A4807 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N HIS A4812 " --> pdb=" O PHE A4808 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N ASP A4815 " --> pdb=" O ALA A4811 " (cutoff:3.500A) removed outlier: 5.379A pdb=" N ILE A4816 " --> pdb=" O HIS A4812 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N ALA A4817 " --> pdb=" O LEU A4813 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N MET A4818 " --> pdb=" O LEU A4814 " (cutoff:3.500A) Processing helix chain 'A' and resid 4821 through 4835 removed outlier: 4.160A pdb=" N ASN A4833 " --> pdb=" O SER A4829 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY A4834 " --> pdb=" O VAL A4830 " (cutoff:3.500A) removed outlier: 5.289A pdb=" N LYS A4835 " --> pdb=" O THR A4831 " (cutoff:3.500A) Processing helix chain 'A' and resid 4836 through 4859 Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 3.989A pdb=" N LEU A4884 " --> pdb=" O MET A4880 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N VAL A4891 " --> pdb=" O MET A4887 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4896 through 4902 removed outlier: 5.676A pdb=" N GLU A4902 " --> pdb=" O GLY A4898 " (cutoff:3.500A) Processing helix chain 'A' and resid 4910 through 4924 removed outlier: 6.541A pdb=" N VAL A4914 " --> pdb=" O GLU A4910 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N VAL A4915 " --> pdb=" O LEU A4911 " (cutoff:3.500A) Processing helix chain 'A' and resid 4928 through 4957 removed outlier: 3.623A pdb=" N ARG A4944 " --> pdb=" O PHE A4940 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N GLN A4947 " --> pdb=" O LEU A4943 " (cutoff:3.500A) removed outlier: 4.847A pdb=" N THR A4956 " --> pdb=" O GLU A4952 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LYS A4957 " --> pdb=" O ASP A4953 " (cutoff:3.500A) Processing helix chain 'A' and resid 4964 through 4972 removed outlier: 4.452A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N THR A4971 " --> pdb=" O TYR A4967 " (cutoff:3.500A) Proline residue: A4972 - end of helix Processing helix chain 'A' and resid 4973 through 4982 Processing helix chain 'A' and resid 4984 through 4999 removed outlier: 7.166A pdb=" N TYR A4988 " --> pdb=" O ASN A4984 " (cutoff:3.500A) removed outlier: 6.411A pdb=" N MET A4989 " --> pdb=" O LEU A4985 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N ASP A4999 " --> pdb=" O LEU A4995 " (cutoff:3.500A) Processing helix chain 'A' and resid 5004 through 5017 Processing helix chain 'A' and resid 5027 through 5033 removed outlier: 6.049A pdb=" N GLN A5031 " --> pdb=" O CYS A5027 " (cutoff:3.500A) Processing helix chain 'A' and resid 4764 through 4769 removed outlier: 5.657A pdb=" N TRP A4767 " --> pdb=" O LEU A4764 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N LEU A4768 " --> pdb=" O LEU A4765 " (cutoff:3.500A) Processing helix chain 'A' and resid 1214 through 1219 removed outlier: 4.202A pdb=" N LEU A1219 " --> pdb=" O PHE A1214 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1214 through 1219' Processing helix chain 'A' and resid 4685 through 4690 Processing helix chain 'B' and resid 61 through 66 removed outlier: 4.909A 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: 4.324A pdb=" N CYS B 253 " --> pdb=" O GLY B 249 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N THR B 254 " --> pdb=" O GLY B 250 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N HIS B 255 " --> pdb=" O ALA B 251 " (cutoff:3.500A) removed outlier: 5.334A 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 308 through 313 removed outlier: 6.725A pdb=" N THR B 312 " --> pdb=" O HIS B 308 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER B 313 " --> pdb=" O THR B 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 308 through 313' Processing helix chain 'B' and resid 364 through 371 removed outlier: 3.619A pdb=" N LEU B 369 " --> pdb=" O LYS B 365 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N GLY B 370 " --> pdb=" O ALA B 366 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N VAL B 371 " --> pdb=" O LEU B 367 " (cutoff:3.500A) Processing helix chain 'B' and resid 396 through 423 removed outlier: 3.796A pdb=" N ASP B 419 " --> pdb=" O ILE B 415 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N SER B 420 " --> pdb=" O LYS B 416 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N PHE B 421 " --> pdb=" O GLY B 417 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SER B 422 " --> pdb=" O LEU B 418 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N GLY B 423 " --> pdb=" O ASP B 419 " (cutoff:3.500A) Processing helix chain 'B' and resid 437 through 453 removed outlier: 3.953A pdb=" N VAL B 441 " --> pdb=" O PRO B 437 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N ILE B 442 " --> pdb=" O ILE B 438 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEU B 443 " --> pdb=" O GLU B 439 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 482 removed outlier: 3.799A pdb=" N GLU B 480 " --> pdb=" O SER B 476 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLU B 481 " --> pdb=" O LEU B 477 " (cutoff:3.500A) removed outlier: 5.245A pdb=" N GLY B 482 " --> pdb=" O PHE B 478 " (cutoff:3.500A) Processing helix chain 'B' and resid 483 through 496 removed outlier: 4.375A pdb=" N VAL B 487 " --> pdb=" O MET B 483 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N CYS B 490 " --> pdb=" O LEU B 486 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N VAL B 496 " --> pdb=" O ASP B 492 " (cutoff:3.500A) Processing helix chain 'B' and resid 511 through 532 removed outlier: 4.460A pdb=" N TRP B 515 " --> pdb=" O ALA B 511 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N GLY B 532 " --> pdb=" O SER B 528 " (cutoff:3.500A) Processing helix chain 'B' and resid 533 through 541 removed outlier: 3.642A pdb=" N CYS B 537 " --> pdb=" O ASN B 533 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEU B 539 " --> pdb=" O ALA B 535 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N PHE B 540 " --> pdb=" O ASN B 536 " (cutoff:3.500A) removed outlier: 5.323A pdb=" N SER B 541 " --> pdb=" O CYS B 537 " (cutoff:3.500A) Processing helix chain 'B' and resid 543 through 551 removed outlier: 3.669A pdb=" N LYS B 550 " --> pdb=" O TRP B 546 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU B 551 " --> pdb=" O VAL B 547 " (cutoff:3.500A) Processing helix chain 'B' and resid 556 through 571 removed outlier: 3.735A pdb=" N VAL B 567 " --> pdb=" O VAL B 563 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LEU B 568 " --> pdb=" O LEU B 564 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ILE B 569 " --> pdb=" O TYR B 565 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU B 570 " --> pdb=" O CYS B 566 " (cutoff:3.500A) Processing helix chain 'B' and resid 572 through 578 removed outlier: 4.549A pdb=" N ASN B 576 " --> pdb=" O PRO B 572 " (cutoff:3.500A) removed outlier: 4.620A pdb=" N ILE B 577 " --> pdb=" O GLU B 573 " (cutoff:3.500A) removed outlier: 4.007A 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: 3.558A pdb=" N LEU B 590 " --> pdb=" O ILE B 586 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP B 591 " --> pdb=" O ILE B 587 " (cutoff:3.500A) Processing helix chain 'B' and resid 596 through 609 removed outlier: 3.693A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N CYS B 609 " --> pdb=" O SER B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 625 removed outlier: 4.326A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) Processing helix chain 'B' and resid 868 through 890 removed outlier: 3.856A pdb=" N GLU B 872 " --> pdb=" O GLU B 868 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N LYS B 873 " --> pdb=" O ARG B 869 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N TRP B 882 " --> pdb=" O ILE B 878 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ALA B 883 " --> pdb=" O HIS B 879 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N GLU B 888 " --> pdb=" O LEU B 884 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N GLN B 889 " --> pdb=" O THR B 885 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 935 removed outlier: 5.178A pdb=" N LEU B 935 " --> pdb=" O THR B 931 " (cutoff:3.500A) Processing helix chain 'B' and resid 943 through 948 removed outlier: 6.279A pdb=" N GLU B 947 " --> pdb=" O ASP B 943 " (cutoff:3.500A) removed outlier: 3.948A 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 removed outlier: 3.758A pdb=" N MET B 960 " --> pdb=" O PRO B 956 " (cutoff:3.500A) Processing helix chain 'B' and resid 978 through 1001 removed outlier: 4.303A pdb=" N THR B 982 " --> pdb=" O THR B 978 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ASP B 999 " --> pdb=" O VAL B 995 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG B1000 " --> pdb=" O TRP B 996 " (cutoff:3.500A) Processing helix chain 'B' and resid 1029 through 1045 removed outlier: 3.569A pdb=" N ASP B1037 " --> pdb=" O ARG B1033 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N SER B1038 " --> pdb=" O SER B1034 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LEU B1039 " --> pdb=" O ASN B1035 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N THR B1045 " --> pdb=" O GLN B1041 " (cutoff:3.500A) Processing helix chain 'B' and resid 1574 through 1581 removed outlier: 3.800A pdb=" N ALA B1578 " --> pdb=" O PRO B1574 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N MET B1579 " --> pdb=" O LEU B1575 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU B1581 " --> pdb=" O ALA B1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1574 through 1581' Processing helix chain 'B' and resid 1649 through 1654 removed outlier: 4.098A pdb=" N LEU B1653 " --> pdb=" O ASP B1649 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N SER B1654 " --> pdb=" O ILE B1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1649 through 1654' Processing helix chain 'B' and resid 1656 through 1675 removed outlier: 6.007A pdb=" N GLN B1660 " --> pdb=" O ARG B1656 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N ARG B1661 " --> pdb=" O LEU B1657 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N CYS B1674 " --> pdb=" O TYR B1670 " (cutoff:3.500A) Processing helix chain 'B' and resid 1678 through 1690 removed outlier: 4.689A pdb=" N ALA B1682 " --> pdb=" O ASN B1678 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N HIS B1683 " --> pdb=" O ASN B1679 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ASP B1690 " --> pdb=" O CYS B1686 " (cutoff:3.500A) Processing helix chain 'B' and resid 1691 through 1701 removed outlier: 3.820A pdb=" N LEU B1698 " --> pdb=" O LEU B1694 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) removed outlier: 5.970A pdb=" N ALA B1701 " --> pdb=" O ALA B1697 " (cutoff:3.500A) Processing helix chain 'B' and resid 1704 through 1719 removed outlier: 6.844A pdb=" N ARG B1708 " --> pdb=" O PRO B1704 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA B1709 " --> pdb=" O GLY B1705 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS B1719 " --> pdb=" O LEU B1715 " (cutoff:3.500A) Processing helix chain 'B' and resid 1720 through 1732 removed outlier: 4.578A pdb=" N SER B1732 " --> pdb=" O ARG B1728 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1745 removed outlier: 4.153A pdb=" N ILE B1745 " --> pdb=" O GLU B1741 " (cutoff:3.500A) Processing helix chain 'B' and resid 1754 through 1759 removed outlier: 4.288A pdb=" N ARG B1759 " --> pdb=" O GLY B1755 " (cutoff:3.500A) Processing helix chain 'B' and resid 1803 through 1825 removed outlier: 3.700A pdb=" N LEU B1807 " --> pdb=" O PRO B1803 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP B1809 " --> pdb=" O GLU B1805 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL B1819 " --> pdb=" O LEU B1815 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N ARG B1820 " --> pdb=" O GLY B1816 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLN B1824 " --> pdb=" O ARG B1820 " (cutoff:3.500A) removed outlier: 4.455A 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: 3.691A pdb=" N MET B1851 " --> pdb=" O THR B1847 " (cutoff:3.500A) Processing helix chain 'B' and resid 1855 through 1865 removed outlier: 4.019A pdb=" N MET B1865 " --> pdb=" O GLN B1861 " (cutoff:3.500A) Processing helix chain 'B' and resid 1932 through 1984 removed outlier: 7.021A pdb=" N LYS B1936 " --> pdb=" O PRO B1932 " (cutoff:3.500A) removed outlier: 5.878A pdb=" N LEU B1937 " --> pdb=" O GLU B1933 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N GLN B1938 " --> pdb=" O SER B1934 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N PHE B1946 " --> pdb=" O LEU B1942 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU B1950 " --> pdb=" O PHE B1946 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU B1951 " --> pdb=" O CYS B1947 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLU B1963 " --> pdb=" O ALA B1959 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 5.437A pdb=" N PHE B1984 " --> pdb=" O LEU B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1987 through 1999 removed outlier: 4.147A pdb=" N ARG B1996 " --> pdb=" O ALA B1992 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N GLU B1997 " --> pdb=" O ARG B1993 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N PHE B1998 " --> pdb=" O ARG B1994 " (cutoff:3.500A) Processing helix chain 'B' and resid 2001 through 2015 removed outlier: 3.569A pdb=" N LEU B2009 " --> pdb=" O GLN B2005 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU B2010 " --> pdb=" O ILE B2006 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N GLU B2015 " --> pdb=" O HIS B2011 " (cutoff:3.500A) Processing helix chain 'B' and resid 2027 through 2043 removed outlier: 4.730A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLY B2043 " --> pdb=" O LEU B2039 " (cutoff:3.500A) Processing helix chain 'B' and resid 2093 through 2109 removed outlier: 3.519A pdb=" N VAL B2103 " --> pdb=" O SER B2099 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASP B2109 " --> pdb=" O TRP B2105 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2130 removed outlier: 3.720A pdb=" N LEU B2123 " --> pdb=" O ALA B2119 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N GLY B2130 " --> pdb=" O ARG B2126 " (cutoff:3.500A) Processing helix chain 'B' and resid 2131 through 2142 Proline residue: B2139 - end of helix removed outlier: 5.701A pdb=" N TYR B2142 " --> pdb=" O LEU B2138 " (cutoff:3.500A) Processing helix chain 'B' and resid 2148 through 2169 removed outlier: 4.272A pdb=" N SER B2154 " --> pdb=" O GLU B2150 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LEU B2155 " --> pdb=" O ASP B2151 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N ILE B2167 " --> pdb=" O ARG B2163 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL B2168 " --> pdb=" O SER B2164 " (cutoff:3.500A) removed outlier: 5.591A pdb=" N GLN B2169 " --> pdb=" O LEU B2165 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2188 removed outlier: 3.577A pdb=" N ASN B2176 " --> pdb=" O PRO B2172 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU B2177 " --> pdb=" O GLN B2173 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ASN B2187 " --> pdb=" O GLY B2183 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ASN B2188 " --> pdb=" O ASN B2184 " (cutoff:3.500A) Processing helix chain 'B' and resid 2189 through 2195 removed outlier: 4.542A pdb=" N GLN B2193 " --> pdb=" O LYS B2189 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N HIS B2194 " --> pdb=" O VAL B2190 " (cutoff:3.500A) Proline residue: B2195 - end of helix No H-bonds generated for 'chain 'B' and resid 2189 through 2195' Processing helix chain 'B' and resid 2196 through 2202 Processing helix chain 'B' and resid 2203 through 2216 removed outlier: 3.926A pdb=" N ASN B2213 " --> pdb=" O GLU B2209 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N VAL B2214 " --> pdb=" O VAL B2210 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU B2215 " --> pdb=" O MET B2211 " (cutoff:3.500A) Processing helix chain 'B' and resid 2227 through 2244 removed outlier: 4.449A pdb=" N SER B2231 " --> pdb=" O LYS B2227 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N SER B2243 " --> pdb=" O PHE B2239 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N ARG B2244 " --> pdb=" O CYS B2240 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2255 removed outlier: 4.199A pdb=" N SER B2249 " --> pdb=" O GLN B2245 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) removed outlier: 4.641A pdb=" N HIS B2253 " --> pdb=" O SER B2249 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N LEU B2254 " --> pdb=" O MET B2250 " (cutoff:3.500A) removed outlier: 5.141A pdb=" N SER B2255 " --> pdb=" O PHE B2251 " (cutoff:3.500A) Processing helix chain 'B' and resid 2256 through 2265 removed outlier: 3.630A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N ILE B2263 " --> pdb=" O GLU B2259 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLY B2264 " --> pdb=" O ASN B2260 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LEU B2265 " --> pdb=" O SER B2261 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2282 removed outlier: 3.847A pdb=" N VAL B2275 " --> pdb=" O THR B2271 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA B2276 " --> pdb=" O PRO B2272 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N VAL B2280 " --> pdb=" O ALA B2276 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ILE B2281 " --> pdb=" O ALA B2277 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N ASP B2282 " --> pdb=" O ALA B2278 " (cutoff:3.500A) Processing helix chain 'B' and resid 2286 through 2291 removed outlier: 3.702A pdb=" N LEU B2290 " --> pdb=" O LEU B2286 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLN B2291 " --> pdb=" O ALA B2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2286 through 2291' Processing helix chain 'B' and resid 2294 through 2309 removed outlier: 3.780A pdb=" N VAL B2299 " --> pdb=" O LEU B2295 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N SER B2300 " --> pdb=" O GLU B2296 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N TYR B2301 " --> pdb=" O LYS B2297 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LEU B2302 " --> pdb=" O VAL B2298 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU B2307 " --> pdb=" O ALA B2303 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N SER B2309 " --> pdb=" O CYS B2305 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2315 removed outlier: 3.831A pdb=" N LEU B2314 " --> pdb=" O CYS B2310 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ALA B2315 " --> pdb=" O PRO B2311 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2310 through 2315' Processing helix chain 'B' and resid 2324 through 2341 removed outlier: 3.704A pdb=" N GLY B2328 " --> pdb=" O ASN B2324 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEU B2332 " --> pdb=" O GLY B2328 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N ASP B2333 " --> pdb=" O GLU B2329 " (cutoff:3.500A) removed outlier: 5.736A pdb=" N PHE B2334 " --> pdb=" O ARG B2330 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N LEU B2335 " --> pdb=" O TYR B2331 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N VAL B2341 " --> pdb=" O PHE B2337 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2361 removed outlier: 3.855A pdb=" N VAL B2352 " --> pdb=" O GLU B2348 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ARG B2359 " --> pdb=" O ARG B2355 " (cutoff:3.500A) removed outlier: 4.564A 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: 4.484A pdb=" N ARG B2452 " --> pdb=" O GLY B2448 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE B2453 " --> pdb=" O GLU B2449 " (cutoff:3.500A) Proline residue: B2462 - end of helix Processing helix chain 'B' and resid 2464 through 2472 removed outlier: 4.294A pdb=" N GLY B2468 " --> pdb=" O ASP B2464 " (cutoff:3.500A) Processing helix chain 'B' and resid 2751 through 2774 removed outlier: 5.005A pdb=" N ILE B2755 " --> pdb=" O LEU B2751 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N THR B2762 " --> pdb=" O PHE B2758 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N HIS B2763 " --> pdb=" O ALA B2759 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU B2764 " --> pdb=" O GLU B2760 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LYS B2765 " --> pdb=" O TYR B2761 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TRP B2766 " --> pdb=" O THR B2762 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ALA B2767 " --> pdb=" O HIS B2763 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASP B2769 " --> pdb=" O LYS B2765 " (cutoff:3.500A) removed outlier: 5.883A pdb=" N LYS B2770 " --> pdb=" O TRP B2766 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N ILE B2771 " --> pdb=" O ALA B2767 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N GLN B2772 " --> pdb=" O PHE B2768 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ASN B2773 " --> pdb=" O ASP B2769 " (cutoff:3.500A) Processing helix chain 'B' and resid 2798 through 2804 removed outlier: 4.578A pdb=" N LYS B2802 " --> pdb=" O SER B2798 " (cutoff:3.500A) Processing helix chain 'B' and resid 2807 through 2813 removed outlier: 4.270A pdb=" N GLU B2811 " --> pdb=" O TRP B2807 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N SER B2812 " --> pdb=" O PRO B2808 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LEU B2813 " --> pdb=" O ILE B2809 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2807 through 2813' Processing helix chain 'B' and resid 2868 through 2873 removed outlier: 5.175A pdb=" N GLN B2872 " --> pdb=" O SER B2868 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N ALA B2873 " --> pdb=" O ARG B2869 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2868 through 2873' Processing helix chain 'B' and resid 2874 through 2891 removed outlier: 4.589A pdb=" N ALA B2879 " --> pdb=" O ALA B2875 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N ASN B2881 " --> pdb=" O GLN B2877 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N TYR B2882 " --> pdb=" O LEU B2878 " (cutoff:3.500A) removed outlier: 5.134A pdb=" N LYS B2890 " --> pdb=" O TRP B2886 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N LYS B2891 " --> pdb=" O GLY B2887 " (cutoff:3.500A) Processing helix chain 'B' and resid 2919 through 2930 removed outlier: 4.481A pdb=" N ALA B2923 " --> pdb=" O ASP B2919 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU B2925 " --> pdb=" O GLU B2921 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N LYS B2928 " --> pdb=" O GLN B2924 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N PHE B2929 " --> pdb=" O GLU B2925 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3657 removed outlier: 3.828A pdb=" N GLU B3655 " --> pdb=" O ASN B3651 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N SER B3656 " --> pdb=" O MET B3652 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N TYR B3657 " --> pdb=" O PHE B3653 " (cutoff:3.500A) Processing helix chain 'B' and resid 3668 through 3680 removed outlier: 4.364A pdb=" N ALA B3680 " --> pdb=" O ASP B3676 " (cutoff:3.500A) Processing helix chain 'B' and resid 3683 through 3688 Processing helix chain 'B' and resid 3696 through 3712 removed outlier: 5.577A pdb=" N GLU B3712 " --> pdb=" O THR B3708 " (cutoff:3.500A) Processing helix chain 'B' and resid 3719 through 3735 removed outlier: 4.085A pdb=" N ASP B3727 " --> pdb=" O MET B3723 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N CYS B3733 " --> pdb=" O MET B3729 " (cutoff:3.500A) Processing helix chain 'B' and resid 3752 through 3771 removed outlier: 3.913A pdb=" N LEU B3770 " --> pdb=" O GLN B3766 " (cutoff:3.500A) Processing helix chain 'B' and resid 3774 through 3787 removed outlier: 4.115A pdb=" N MET B3778 " --> pdb=" O GLY B3774 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL B3779 " --> pdb=" O ALA B3775 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU B3780 " --> pdb=" O ALA B3776 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS B3787 " --> pdb=" O ILE B3783 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3806 removed outlier: 3.655A pdb=" N SER B3795 " --> pdb=" O GLY B3791 " (cutoff:3.500A) Processing helix chain 'B' and resid 3809 through 3824 Processing helix chain 'B' and resid 3826 through 3839 removed outlier: 6.674A pdb=" N GLN B3830 " --> pdb=" O VAL B3826 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N CYS B3839 " --> pdb=" O LEU B3835 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3858 removed outlier: 4.920A pdb=" N MET B3858 " --> pdb=" O GLU B3854 " (cutoff:3.500A) Processing helix chain 'B' and resid 3862 through 3872 removed outlier: 4.577A pdb=" N GLU B3872 " --> pdb=" O ARG B3868 " (cutoff:3.500A) Processing helix chain 'B' and resid 3877 through 3893 removed outlier: 3.744A pdb=" N CYS B3892 " --> pdb=" O LEU B3888 " (cutoff:3.500A) Processing helix chain 'B' and resid 3896 through 3905 removed outlier: 3.709A pdb=" N ARG B3904 " --> pdb=" O GLN B3900 " (cutoff:3.500A) Processing helix chain 'B' and resid 3914 through 3939 removed outlier: 3.947A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLY B3939 " --> pdb=" O TRP B3935 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 removed outlier: 3.708A pdb=" N GLN B3960 " --> pdb=" O SER B3956 " (cutoff:3.500A) Processing helix chain 'B' and resid 3973 through 3984 removed outlier: 4.922A pdb=" N ARG B3984 " --> pdb=" O LEU B3980 " (cutoff:3.500A) Processing helix chain 'B' and resid 3985 through 4004 Processing helix chain 'B' and resid 4009 through 4032 removed outlier: 3.740A pdb=" N LEU B4031 " --> pdb=" O LEU B4027 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N GLU B4032 " --> pdb=" O LEU B4028 " (cutoff:3.500A) Processing helix chain 'B' and resid 4039 through 4052 removed outlier: 5.910A pdb=" N GLN B4043 " --> pdb=" O MET B4039 " (cutoff:3.500A) Processing helix chain 'B' and resid 4053 through 4074 removed outlier: 3.512A pdb=" N PHE B4065 " --> pdb=" O PHE B4061 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLY B4073 " --> pdb=" O LYS B4069 " (cutoff:3.500A) Processing helix chain 'B' and resid 4075 through 4082 removed outlier: 4.412A pdb=" N THR B4082 " --> pdb=" O GLN B4078 " (cutoff:3.500A) Processing helix chain 'B' and resid 4089 through 4101 removed outlier: 3.578A pdb=" N GLN B4094 " --> pdb=" O LYS B4090 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LYS B4095 " --> pdb=" O LYS B4091 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LYS B4101 " --> pdb=" O MET B4097 " (cutoff:3.500A) Processing helix chain 'B' and resid 4104 through 4116 removed outlier: 3.706A pdb=" N ILE B4108 " --> pdb=" O THR B4104 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLN B4109 " --> pdb=" O GLY B4105 " (cutoff:3.500A) removed outlier: 5.171A pdb=" N GLU B4116 " --> pdb=" O LEU B4112 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4132 removed outlier: 5.407A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) Processing helix chain 'B' and resid 4134 through 4155 removed outlier: 4.573A pdb=" N ASP B4138 " --> pdb=" O GLU B4134 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ILE B4139 " --> pdb=" O PRO B4135 " (cutoff:3.500A) Proline residue: B4155 - end of helix Processing helix chain 'B' and resid 4157 through 4168 removed outlier: 4.024A pdb=" N ARG B4161 " --> pdb=" O ASP B4157 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASN B4162 " --> pdb=" O PRO B4158 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE B4163 " --> pdb=" O ARG B4159 " (cutoff:3.500A) Processing helix chain 'B' and resid 4169 through 4179 Proline residue: B4176 - end of helix removed outlier: 5.790A pdb=" N GLY B4179 " --> pdb=" O ARG B4175 " (cutoff:3.500A) Processing helix chain 'B' and resid 4198 through 4207 removed outlier: 3.501A pdb=" N ARG B4202 " --> pdb=" O SER B4198 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N MET B4207 " --> pdb=" O ALA B4203 " (cutoff:3.500A) Processing helix chain 'B' and resid 4208 through 4224 Processing helix chain 'B' and resid 4229 through 4252 removed outlier: 3.569A pdb=" N PHE B4243 " --> pdb=" O GLU B4239 " (cutoff:3.500A) Processing helix chain 'B' and resid 4540 through 4559 removed outlier: 3.919A pdb=" N PHE B4559 " --> pdb=" O LEU B4555 " (cutoff:3.500A) Processing helix chain 'B' and resid 4560 through 4580 removed outlier: 5.013A pdb=" N TYR B4580 " --> pdb=" O ILE B4576 " (cutoff:3.500A) Processing helix chain 'B' and resid 4642 through 4684 removed outlier: 4.220A pdb=" N LEU B4646 " --> pdb=" O ALA B4642 " (cutoff:3.500A) removed outlier: 4.588A 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 4708 removed outlier: 3.874A pdb=" N GLN B4700 " --> pdb=" O ASP B4696 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEU B4704 " --> pdb=" O GLN B4700 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N VAL B4705 " --> pdb=" O TRP B4701 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N LEU B4706 " --> pdb=" O ASP B4702 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ASN B4707 " --> pdb=" O ARG B4703 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N THR B4708 " --> pdb=" O LEU B4704 " (cutoff:3.500A) Processing helix chain 'B' and resid 4719 through 4728 Processing helix chain 'B' and resid 4733 through 4742 removed outlier: 4.620A pdb=" N GLY B4742 " --> pdb=" O ALA B4738 " (cutoff:3.500A) Processing helix chain 'B' and resid 4749 through 4755 Processing helix chain 'B' and resid 4772 through 4787 removed outlier: 5.450A pdb=" N ASN B4787 " --> pdb=" O ILE B4783 " (cutoff:3.500A) Processing helix chain 'B' and resid 4788 through 4802 removed outlier: 3.757A pdb=" N LEU B4792 " --> pdb=" O SER B4788 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N GLY B4802 " --> pdb=" O MET B4798 " (cutoff:3.500A) Processing helix chain 'B' and resid 4807 through 4820 removed outlier: 4.020A pdb=" N ALA B4811 " --> pdb=" O PHE B4807 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N HIS B4812 " --> pdb=" O PHE B4808 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU B4813 " --> pdb=" O PHE B4809 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N LEU B4814 " --> pdb=" O ALA B4810 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N ASP B4815 " --> pdb=" O ALA B4811 " (cutoff:3.500A) removed outlier: 5.379A pdb=" N ILE B4816 " --> pdb=" O HIS B4812 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N ALA B4817 " --> pdb=" O LEU B4813 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N MET B4818 " --> pdb=" O LEU B4814 " (cutoff:3.500A) Processing helix chain 'B' and resid 4821 through 4835 removed outlier: 4.161A pdb=" N ASN B4833 " --> pdb=" O SER B4829 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY B4834 " --> pdb=" O VAL B4830 " (cutoff:3.500A) removed outlier: 5.289A pdb=" N LYS B4835 " --> pdb=" O THR B4831 " (cutoff:3.500A) Processing helix chain 'B' and resid 4836 through 4859 Processing helix chain 'B' and resid 4878 through 4893 removed outlier: 3.989A pdb=" N LEU B4884 " --> pdb=" O MET B4880 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N VAL B4891 " --> pdb=" O MET B4887 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ARG B4892 " --> pdb=" O TYR B4888 " (cutoff:3.500A) Processing helix chain 'B' and resid 4896 through 4902 removed outlier: 5.677A pdb=" N GLU B4902 " --> pdb=" O GLY B4898 " (cutoff:3.500A) Processing helix chain 'B' and resid 4910 through 4924 removed outlier: 6.541A pdb=" N VAL B4914 " --> pdb=" O GLU B4910 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VAL B4915 " --> pdb=" O LEU B4911 " (cutoff:3.500A) Processing helix chain 'B' and resid 4928 through 4957 removed outlier: 3.623A pdb=" N ARG B4944 " --> pdb=" O PHE B4940 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLN B4947 " --> pdb=" O LEU B4943 " (cutoff:3.500A) removed outlier: 4.847A pdb=" N THR B4956 " --> pdb=" O GLU B4952 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N LYS B4957 " --> pdb=" O ASP B4953 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4972 removed outlier: 4.452A pdb=" N PHE B4968 " --> pdb=" O GLY B4964 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N THR B4971 " --> pdb=" O TYR B4967 " (cutoff:3.500A) Proline residue: B4972 - end of helix Processing helix chain 'B' and resid 4973 through 4982 Processing helix chain 'B' and resid 4984 through 4999 removed outlier: 7.166A pdb=" N TYR B4988 " --> pdb=" O ASN B4984 " (cutoff:3.500A) removed outlier: 6.411A pdb=" N MET B4989 " --> pdb=" O LEU B4985 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N ASP B4999 " --> pdb=" O LEU B4995 " (cutoff:3.500A) Processing helix chain 'B' and resid 5004 through 5017 Processing helix chain 'B' and resid 5027 through 5033 removed outlier: 6.050A pdb=" N GLN B5031 " --> pdb=" O CYS B5027 " (cutoff:3.500A) Processing helix chain 'B' and resid 4764 through 4769 removed outlier: 5.657A pdb=" N TRP B4767 " --> pdb=" O LEU B4764 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N LEU B4768 " --> pdb=" O LEU B4765 " (cutoff:3.500A) Processing helix chain 'B' and resid 1214 through 1219 removed outlier: 4.202A pdb=" N LEU B1219 " --> pdb=" O PHE B1214 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1214 through 1219' Processing helix chain 'B' and resid 4685 through 4690 Processing helix chain 'C' and resid 61 through 66 removed outlier: 4.909A 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: 4.324A pdb=" N CYS C 253 " --> pdb=" O GLY C 249 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N THR C 254 " --> pdb=" O GLY C 250 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N HIS C 255 " --> pdb=" O ALA C 251 " (cutoff:3.500A) removed outlier: 5.333A 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 308 through 313 removed outlier: 6.726A pdb=" N THR C 312 " --> pdb=" O HIS C 308 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER C 313 " --> pdb=" O THR C 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 308 through 313' Processing helix chain 'C' and resid 364 through 371 removed outlier: 3.620A pdb=" N LEU C 369 " --> pdb=" O LYS C 365 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N GLY C 370 " --> pdb=" O ALA C 366 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N VAL C 371 " --> pdb=" O LEU C 367 " (cutoff:3.500A) Processing helix chain 'C' and resid 396 through 423 removed outlier: 3.796A pdb=" N ASP C 419 " --> pdb=" O ILE C 415 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N SER C 420 " --> pdb=" O LYS C 416 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N PHE C 421 " --> pdb=" O GLY C 417 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SER C 422 " --> pdb=" O LEU C 418 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N GLY C 423 " --> pdb=" O ASP C 419 " (cutoff:3.500A) Processing helix chain 'C' and resid 437 through 453 removed outlier: 3.952A pdb=" N VAL C 441 " --> pdb=" O PRO C 437 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE C 442 " --> pdb=" O ILE C 438 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEU C 443 " --> pdb=" O GLU C 439 " (cutoff:3.500A) Processing helix chain 'C' and resid 460 through 482 removed outlier: 3.800A pdb=" N GLU C 480 " --> pdb=" O SER C 476 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLU C 481 " --> pdb=" O LEU C 477 " (cutoff:3.500A) removed outlier: 5.245A pdb=" N GLY C 482 " --> pdb=" O PHE C 478 " (cutoff:3.500A) Processing helix chain 'C' and resid 483 through 496 removed outlier: 4.376A pdb=" N VAL C 487 " --> pdb=" O MET C 483 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N CYS C 490 " --> pdb=" O LEU C 486 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N VAL C 496 " --> pdb=" O ASP C 492 " (cutoff:3.500A) Processing helix chain 'C' and resid 511 through 532 removed outlier: 4.461A pdb=" N TRP C 515 " --> pdb=" O ALA C 511 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N LYS C 516 " --> pdb=" O ALA C 512 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N GLU C 517 " --> pdb=" O GLU C 513 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N GLY C 532 " --> pdb=" O SER C 528 " (cutoff:3.500A) Processing helix chain 'C' and resid 533 through 541 removed outlier: 3.642A pdb=" N CYS C 537 " --> pdb=" O ASN C 533 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEU C 539 " --> pdb=" O ALA C 535 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N PHE C 540 " --> pdb=" O ASN C 536 " (cutoff:3.500A) removed outlier: 5.324A pdb=" N SER C 541 " --> pdb=" O CYS C 537 " (cutoff:3.500A) Processing helix chain 'C' and resid 543 through 551 removed outlier: 3.670A pdb=" N LYS C 550 " --> pdb=" O TRP C 546 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU C 551 " --> pdb=" O VAL C 547 " (cutoff:3.500A) Processing helix chain 'C' and resid 556 through 571 removed outlier: 3.735A pdb=" N VAL C 567 " --> pdb=" O VAL C 563 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LEU C 568 " --> pdb=" O LEU C 564 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N ILE C 569 " --> pdb=" O TYR C 565 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU C 570 " --> pdb=" O CYS C 566 " (cutoff:3.500A) Processing helix chain 'C' and resid 572 through 578 removed outlier: 4.549A pdb=" N ASN C 576 " --> pdb=" O PRO C 572 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE C 577 " --> pdb=" O GLU C 573 " (cutoff:3.500A) removed outlier: 4.007A 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: 3.558A pdb=" N LEU C 590 " --> pdb=" O ILE C 586 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP C 591 " --> pdb=" O ILE C 587 " (cutoff:3.500A) Processing helix chain 'C' and resid 596 through 609 removed outlier: 3.692A pdb=" N LEU C 600 " --> pdb=" O ASN C 596 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N CYS C 607 " --> pdb=" O LEU C 603 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N VAL C 608 " --> pdb=" O CYS C 604 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N CYS C 609 " --> pdb=" O SER C 605 " (cutoff:3.500A) Processing helix chain 'C' and resid 614 through 625 removed outlier: 4.326A pdb=" N GLN C 618 " --> pdb=" O VAL C 614 " (cutoff:3.500A) Processing helix chain 'C' and resid 868 through 890 removed outlier: 3.855A pdb=" N GLU C 872 " --> pdb=" O GLU C 868 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N LYS C 873 " --> pdb=" O ARG C 869 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N TRP C 882 " --> pdb=" O ILE C 878 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA C 883 " --> pdb=" O HIS C 879 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N GLU C 888 " --> pdb=" O LEU C 884 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N GLN C 889 " --> pdb=" O THR C 885 " (cutoff:3.500A) Processing helix chain 'C' and resid 914 through 935 removed outlier: 5.178A pdb=" N LEU C 935 " --> pdb=" O THR C 931 " (cutoff:3.500A) Processing helix chain 'C' and resid 943 through 948 removed outlier: 6.279A pdb=" N GLU C 947 " --> pdb=" O ASP C 943 " (cutoff:3.500A) removed outlier: 3.949A 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 removed outlier: 3.759A pdb=" N MET C 960 " --> pdb=" O PRO C 956 " (cutoff:3.500A) Processing helix chain 'C' and resid 978 through 1001 removed outlier: 4.303A pdb=" N THR C 982 " --> pdb=" O THR C 978 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ASP C 999 " --> pdb=" O VAL C 995 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ARG C1000 " --> pdb=" O TRP C 996 " (cutoff:3.500A) Processing helix chain 'C' and resid 1029 through 1045 removed outlier: 3.569A pdb=" N ASP C1037 " --> pdb=" O ARG C1033 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N SER C1038 " --> pdb=" O SER C1034 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N LEU C1039 " --> pdb=" O ASN C1035 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N THR C1045 " --> pdb=" O GLN C1041 " (cutoff:3.500A) Processing helix chain 'C' and resid 1574 through 1581 removed outlier: 3.800A pdb=" N ALA C1578 " --> pdb=" O PRO C1574 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N MET C1579 " --> pdb=" O LEU C1575 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N PHE C1580 " --> pdb=" O SER C1576 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU C1581 " --> pdb=" O ALA C1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1574 through 1581' Processing helix chain 'C' and resid 1649 through 1654 removed outlier: 4.097A pdb=" N LEU C1653 " --> pdb=" O ASP C1649 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N SER C1654 " --> pdb=" O ILE C1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1649 through 1654' Processing helix chain 'C' and resid 1656 through 1675 removed outlier: 6.007A pdb=" N GLN C1660 " --> pdb=" O ARG C1656 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ARG C1661 " --> pdb=" O LEU C1657 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS C1674 " --> pdb=" O TYR C1670 " (cutoff:3.500A) Processing helix chain 'C' and resid 1678 through 1690 removed outlier: 4.689A pdb=" N ALA C1682 " --> pdb=" O ASN C1678 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N HIS C1683 " --> pdb=" O ASN C1679 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ALA C1684 " --> pdb=" O ARG C1680 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ASP C1690 " --> pdb=" O CYS C1686 " (cutoff:3.500A) Processing helix chain 'C' and resid 1691 through 1701 removed outlier: 3.820A pdb=" N LEU C1698 " --> pdb=" O LEU C1694 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N GLU C1699 " --> pdb=" O LEU C1695 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP C1700 " --> pdb=" O HIS C1696 " (cutoff:3.500A) removed outlier: 5.971A pdb=" N ALA C1701 " --> pdb=" O ALA C1697 " (cutoff:3.500A) Processing helix chain 'C' and resid 1704 through 1719 removed outlier: 6.843A pdb=" N ARG C1708 " --> pdb=" O PRO C1704 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA C1709 " --> pdb=" O GLY C1705 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS C1719 " --> pdb=" O LEU C1715 " (cutoff:3.500A) Processing helix chain 'C' and resid 1720 through 1732 removed outlier: 4.578A pdb=" N SER C1732 " --> pdb=" O ARG C1728 " (cutoff:3.500A) Processing helix chain 'C' and resid 1739 through 1745 removed outlier: 4.153A pdb=" N ILE C1745 " --> pdb=" O GLU C1741 " (cutoff:3.500A) Processing helix chain 'C' and resid 1754 through 1759 removed outlier: 4.287A pdb=" N ARG C1759 " --> pdb=" O GLY C1755 " (cutoff:3.500A) Processing helix chain 'C' and resid 1803 through 1825 removed outlier: 3.701A pdb=" N LEU C1807 " --> pdb=" O PRO C1803 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP C1809 " --> pdb=" O GLU C1805 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL C1819 " --> pdb=" O LEU C1815 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ARG C1820 " --> pdb=" O GLY C1816 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLN C1824 " --> pdb=" O ARG C1820 " (cutoff:3.500A) removed outlier: 4.455A 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: 3.692A pdb=" N MET C1851 " --> pdb=" O THR C1847 " (cutoff:3.500A) Processing helix chain 'C' and resid 1855 through 1865 removed outlier: 4.020A pdb=" N MET C1865 " --> pdb=" O GLN C1861 " (cutoff:3.500A) Processing helix chain 'C' and resid 1932 through 1984 removed outlier: 7.022A pdb=" N LYS C1936 " --> pdb=" O PRO C1932 " (cutoff:3.500A) removed outlier: 5.878A pdb=" N LEU C1937 " --> pdb=" O GLU C1933 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N GLN C1938 " --> pdb=" O SER C1934 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N TYR C1945 " --> pdb=" O ASN C1941 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N PHE C1946 " --> pdb=" O LEU C1942 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU C1950 " --> pdb=" O PHE C1946 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU C1951 " --> pdb=" O CYS C1947 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU C1963 " --> pdb=" O ALA C1959 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ARG C1964 " --> pdb=" O ALA C1960 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N PHE C1984 " --> pdb=" O LEU C1980 " (cutoff:3.500A) Processing helix chain 'C' and resid 1987 through 1999 removed outlier: 4.146A pdb=" N ARG C1996 " --> pdb=" O ALA C1992 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLU C1997 " --> pdb=" O ARG C1993 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N PHE C1998 " --> pdb=" O ARG C1994 " (cutoff:3.500A) Processing helix chain 'C' and resid 2001 through 2015 removed outlier: 3.571A pdb=" N LEU C2009 " --> pdb=" O GLN C2005 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU C2010 " --> pdb=" O ILE C2006 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU C2015 " --> pdb=" O HIS C2011 " (cutoff:3.500A) Processing helix chain 'C' and resid 2027 through 2043 removed outlier: 4.730A pdb=" N LEU C2031 " --> pdb=" O ILE C2027 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N GLN C2032 " --> pdb=" O ARG C2028 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N GLY C2043 " --> pdb=" O LEU C2039 " (cutoff:3.500A) Processing helix chain 'C' and resid 2093 through 2109 removed outlier: 3.519A pdb=" N VAL C2103 " --> pdb=" O SER C2099 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASP C2109 " --> pdb=" O TRP C2105 " (cutoff:3.500A) Processing helix chain 'C' and resid 2113 through 2130 removed outlier: 3.721A pdb=" N LEU C2123 " --> pdb=" O ALA C2119 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N GLY C2130 " --> pdb=" O ARG C2126 " (cutoff:3.500A) Processing helix chain 'C' and resid 2131 through 2142 Proline residue: C2139 - end of helix removed outlier: 5.700A pdb=" N TYR C2142 " --> pdb=" O LEU C2138 " (cutoff:3.500A) Processing helix chain 'C' and resid 2148 through 2169 removed outlier: 4.273A pdb=" N SER C2154 " --> pdb=" O GLU C2150 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LEU C2155 " --> pdb=" O ASP C2151 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N ILE C2167 " --> pdb=" O ARG C2163 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL C2168 " --> pdb=" O SER C2164 " (cutoff:3.500A) removed outlier: 5.591A pdb=" N GLN C2169 " --> pdb=" O LEU C2165 " (cutoff:3.500A) Processing helix chain 'C' and resid 2171 through 2188 removed outlier: 3.578A pdb=" N ASN C2176 " --> pdb=" O PRO C2172 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LEU C2177 " --> pdb=" O GLN C2173 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N ASN C2187 " --> pdb=" O GLY C2183 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ASN C2188 " --> pdb=" O ASN C2184 " (cutoff:3.500A) Processing helix chain 'C' and resid 2189 through 2195 removed outlier: 4.542A pdb=" N GLN C2193 " --> pdb=" O LYS C2189 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N HIS C2194 " --> pdb=" O VAL C2190 " (cutoff:3.500A) Proline residue: C2195 - end of helix No H-bonds generated for 'chain 'C' and resid 2189 through 2195' Processing helix chain 'C' and resid 2196 through 2202 Processing helix chain 'C' and resid 2203 through 2216 removed outlier: 3.927A pdb=" N ASN C2213 " --> pdb=" O GLU C2209 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N VAL C2214 " --> pdb=" O VAL C2210 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU C2215 " --> pdb=" O MET C2211 " (cutoff:3.500A) Processing helix chain 'C' and resid 2227 through 2244 removed outlier: 4.449A pdb=" N SER C2231 " --> pdb=" O LYS C2227 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N SER C2243 " --> pdb=" O PHE C2239 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N ARG C2244 " --> pdb=" O CYS C2240 " (cutoff:3.500A) Processing helix chain 'C' and resid 2245 through 2255 removed outlier: 4.199A pdb=" N SER C2249 " --> pdb=" O GLN C2245 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ASP C2252 " --> pdb=" O ARG C2248 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N HIS C2253 " --> pdb=" O SER C2249 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N LEU C2254 " --> pdb=" O MET C2250 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N SER C2255 " --> pdb=" O PHE C2251 " (cutoff:3.500A) Processing helix chain 'C' and resid 2256 through 2265 removed outlier: 3.631A pdb=" N ASN C2260 " --> pdb=" O TYR C2256 " (cutoff:3.500A) removed outlier: 4.189A pdb=" N GLY C2262 " --> pdb=" O LEU C2258 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N ILE C2263 " --> pdb=" O GLU C2259 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLY C2264 " --> pdb=" O ASN C2260 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LEU C2265 " --> pdb=" O SER C2261 " (cutoff:3.500A) Processing helix chain 'C' and resid 2271 through 2282 removed outlier: 3.847A pdb=" N VAL C2275 " --> pdb=" O THR C2271 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA C2276 " --> pdb=" O PRO C2272 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N VAL C2280 " --> pdb=" O ALA C2276 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ILE C2281 " --> pdb=" O ALA C2277 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N ASP C2282 " --> pdb=" O ALA C2278 " (cutoff:3.500A) Processing helix chain 'C' and resid 2286 through 2291 removed outlier: 3.703A pdb=" N LEU C2290 " --> pdb=" O LEU C2286 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN C2291 " --> pdb=" O ALA C2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2286 through 2291' Processing helix chain 'C' and resid 2294 through 2309 removed outlier: 3.780A pdb=" N VAL C2299 " --> pdb=" O LEU C2295 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N SER C2300 " --> pdb=" O GLU C2296 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TYR C2301 " --> pdb=" O LYS C2297 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU C2302 " --> pdb=" O VAL C2298 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU C2307 " --> pdb=" O ALA C2303 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N SER C2309 " --> pdb=" O CYS C2305 " (cutoff:3.500A) Processing helix chain 'C' and resid 2310 through 2315 removed outlier: 3.831A pdb=" N LEU C2314 " --> pdb=" O CYS C2310 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ALA C2315 " --> pdb=" O PRO C2311 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2310 through 2315' Processing helix chain 'C' and resid 2324 through 2341 removed outlier: 3.705A pdb=" N GLY C2328 " --> pdb=" O ASN C2324 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEU C2332 " --> pdb=" O GLY C2328 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N ASP C2333 " --> pdb=" O GLU C2329 " (cutoff:3.500A) removed outlier: 5.737A pdb=" N PHE C2334 " --> pdb=" O ARG C2330 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N LEU C2335 " --> pdb=" O TYR C2331 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N VAL C2341 " --> pdb=" O PHE C2337 " (cutoff:3.500A) Processing helix chain 'C' and resid 2346 through 2361 removed outlier: 3.856A pdb=" N VAL C2352 " --> pdb=" O GLU C2348 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ARG C2359 " --> pdb=" O ARG C2355 " (cutoff:3.500A) removed outlier: 4.563A 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: 4.485A pdb=" N ARG C2452 " --> pdb=" O GLY C2448 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE C2453 " --> pdb=" O GLU C2449 " (cutoff:3.500A) Proline residue: C2462 - end of helix Processing helix chain 'C' and resid 2464 through 2472 removed outlier: 4.295A pdb=" N GLY C2468 " --> pdb=" O ASP C2464 " (cutoff:3.500A) Processing helix chain 'C' and resid 2751 through 2774 removed outlier: 5.004A pdb=" N ILE C2755 " --> pdb=" O LEU C2751 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N THR C2762 " --> pdb=" O PHE C2758 " (cutoff:3.500A) removed outlier: 4.601A pdb=" N HIS C2763 " --> pdb=" O ALA C2759 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N GLU C2764 " --> pdb=" O GLU C2760 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LYS C2765 " --> pdb=" O TYR C2761 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TRP C2766 " --> pdb=" O THR C2762 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ALA C2767 " --> pdb=" O HIS C2763 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE C2768 " --> pdb=" O GLU C2764 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASP C2769 " --> pdb=" O LYS C2765 " (cutoff:3.500A) removed outlier: 5.884A pdb=" N LYS C2770 " --> pdb=" O TRP C2766 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N ILE C2771 " --> pdb=" O ALA C2767 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N GLN C2772 " --> pdb=" O PHE C2768 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ASN C2773 " --> pdb=" O ASP C2769 " (cutoff:3.500A) Processing helix chain 'C' and resid 2798 through 2804 removed outlier: 4.578A pdb=" N LYS C2802 " --> pdb=" O SER C2798 " (cutoff:3.500A) Processing helix chain 'C' and resid 2807 through 2813 removed outlier: 4.271A pdb=" N GLU C2811 " --> pdb=" O TRP C2807 " (cutoff:3.500A) removed outlier: 5.488A pdb=" N SER C2812 " --> pdb=" O PRO C2808 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEU C2813 " --> pdb=" O ILE C2809 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2807 through 2813' Processing helix chain 'C' and resid 2868 through 2873 removed outlier: 5.175A pdb=" N GLN C2872 " --> pdb=" O SER C2868 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N ALA C2873 " --> pdb=" O ARG C2869 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2868 through 2873' Processing helix chain 'C' and resid 2874 through 2891 removed outlier: 4.589A pdb=" N ALA C2879 " --> pdb=" O ALA C2875 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASN C2881 " --> pdb=" O GLN C2877 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N TYR C2882 " --> pdb=" O LEU C2878 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N LYS C2890 " --> pdb=" O TRP C2886 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N LYS C2891 " --> pdb=" O GLY C2887 " (cutoff:3.500A) Processing helix chain 'C' and resid 2919 through 2930 removed outlier: 4.481A pdb=" N ALA C2923 " --> pdb=" O ASP C2919 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU C2925 " --> pdb=" O GLU C2921 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N LYS C2928 " --> pdb=" O GLN C2924 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N PHE C2929 " --> pdb=" O GLU C2925 " (cutoff:3.500A) Processing helix chain 'C' and resid 3645 through 3657 removed outlier: 3.827A pdb=" N GLU C3655 " --> pdb=" O ASN C3651 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N SER C3656 " --> pdb=" O MET C3652 " (cutoff:3.500A) removed outlier: 5.235A pdb=" N TYR C3657 " --> pdb=" O PHE C3653 " (cutoff:3.500A) Processing helix chain 'C' and resid 3668 through 3680 removed outlier: 4.364A pdb=" N ALA C3680 " --> pdb=" O ASP C3676 " (cutoff:3.500A) Processing helix chain 'C' and resid 3683 through 3688 Processing helix chain 'C' and resid 3696 through 3712 removed outlier: 5.576A pdb=" N GLU C3712 " --> pdb=" O THR C3708 " (cutoff:3.500A) Processing helix chain 'C' and resid 3719 through 3735 removed outlier: 4.086A pdb=" N ASP C3727 " --> pdb=" O MET C3723 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N CYS C3733 " --> pdb=" O MET C3729 " (cutoff:3.500A) Processing helix chain 'C' and resid 3752 through 3771 removed outlier: 3.913A pdb=" N LEU C3770 " --> pdb=" O GLN C3766 " (cutoff:3.500A) Processing helix chain 'C' and resid 3774 through 3787 removed outlier: 4.116A pdb=" N MET C3778 " --> pdb=" O GLY C3774 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL C3779 " --> pdb=" O ALA C3775 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU C3780 " --> pdb=" O ALA C3776 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS C3787 " --> pdb=" O ILE C3783 " (cutoff:3.500A) Processing helix chain 'C' and resid 3791 through 3806 removed outlier: 3.656A pdb=" N SER C3795 " --> pdb=" O GLY C3791 " (cutoff:3.500A) Processing helix chain 'C' and resid 3809 through 3824 Processing helix chain 'C' and resid 3826 through 3839 removed outlier: 6.674A pdb=" N GLN C3830 " --> pdb=" O VAL C3826 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N CYS C3839 " --> pdb=" O LEU C3835 " (cutoff:3.500A) Processing helix chain 'C' and resid 3843 through 3858 removed outlier: 4.920A pdb=" N MET C3858 " --> pdb=" O GLU C3854 " (cutoff:3.500A) Processing helix chain 'C' and resid 3862 through 3872 removed outlier: 4.577A pdb=" N GLU C3872 " --> pdb=" O ARG C3868 " (cutoff:3.500A) Processing helix chain 'C' and resid 3877 through 3893 removed outlier: 3.744A pdb=" N CYS C3892 " --> pdb=" O LEU C3888 " (cutoff:3.500A) Processing helix chain 'C' and resid 3896 through 3905 removed outlier: 3.709A pdb=" N ARG C3904 " --> pdb=" O GLN C3900 " (cutoff:3.500A) Processing helix chain 'C' and resid 3914 through 3939 removed outlier: 3.948A pdb=" N CYS C3918 " --> pdb=" O ASN C3914 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N GLY C3939 " --> pdb=" O TRP C3935 " (cutoff:3.500A) Processing helix chain 'C' and resid 3944 through 3970 removed outlier: 3.708A pdb=" N GLN C3960 " --> pdb=" O SER C3956 " (cutoff:3.500A) Processing helix chain 'C' and resid 3973 through 3984 removed outlier: 4.922A pdb=" N ARG C3984 " --> pdb=" O LEU C3980 " (cutoff:3.500A) Processing helix chain 'C' and resid 3985 through 4004 Processing helix chain 'C' and resid 4009 through 4032 removed outlier: 3.740A pdb=" N LEU C4031 " --> pdb=" O LEU C4027 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N GLU C4032 " --> pdb=" O LEU C4028 " (cutoff:3.500A) Processing helix chain 'C' and resid 4039 through 4052 removed outlier: 5.909A pdb=" N GLN C4043 " --> pdb=" O MET C4039 " (cutoff:3.500A) Processing helix chain 'C' and resid 4053 through 4074 removed outlier: 3.513A pdb=" N PHE C4065 " --> pdb=" O PHE C4061 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLY C4073 " --> pdb=" O LYS C4069 " (cutoff:3.500A) Processing helix chain 'C' and resid 4075 through 4082 removed outlier: 4.413A pdb=" N THR C4082 " --> pdb=" O GLN C4078 " (cutoff:3.500A) Processing helix chain 'C' and resid 4089 through 4101 removed outlier: 3.579A pdb=" N GLN C4094 " --> pdb=" O LYS C4090 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LYS C4095 " --> pdb=" O LYS C4091 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LYS C4101 " --> pdb=" O MET C4097 " (cutoff:3.500A) Processing helix chain 'C' and resid 4104 through 4116 removed outlier: 3.706A pdb=" N ILE C4108 " --> pdb=" O THR C4104 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N GLN C4109 " --> pdb=" O GLY C4105 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N GLU C4116 " --> pdb=" O LEU C4112 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4132 removed outlier: 5.407A pdb=" N PHE C4132 " --> pdb=" O PHE C4128 " (cutoff:3.500A) Processing helix chain 'C' and resid 4134 through 4155 removed outlier: 4.573A pdb=" N ASP C4138 " --> pdb=" O GLU C4134 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ILE C4139 " --> pdb=" O PRO C4135 " (cutoff:3.500A) Proline residue: C4155 - end of helix Processing helix chain 'C' and resid 4157 through 4168 removed outlier: 4.024A pdb=" N ARG C4161 " --> pdb=" O ASP C4157 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N ASN C4162 " --> pdb=" O PRO C4158 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE C4163 " --> pdb=" O ARG C4159 " (cutoff:3.500A) Processing helix chain 'C' and resid 4169 through 4179 Proline residue: C4176 - end of helix removed outlier: 5.791A pdb=" N GLY C4179 " --> pdb=" O ARG C4175 " (cutoff:3.500A) Processing helix chain 'C' and resid 4198 through 4207 removed outlier: 3.503A pdb=" N ARG C4202 " --> pdb=" O SER C4198 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N MET C4207 " --> pdb=" O ALA C4203 " (cutoff:3.500A) Processing helix chain 'C' and resid 4208 through 4224 Processing helix chain 'C' and resid 4229 through 4252 removed outlier: 3.569A pdb=" N PHE C4243 " --> pdb=" O GLU C4239 " (cutoff:3.500A) Processing helix chain 'C' and resid 4540 through 4559 removed outlier: 3.919A pdb=" N PHE C4559 " --> pdb=" O LEU C4555 " (cutoff:3.500A) Processing helix chain 'C' and resid 4560 through 4580 removed outlier: 5.012A pdb=" N TYR C4580 " --> pdb=" O ILE C4576 " (cutoff:3.500A) Processing helix chain 'C' and resid 4642 through 4684 removed outlier: 4.219A pdb=" N LEU C4646 " --> pdb=" O ALA C4642 " (cutoff:3.500A) removed outlier: 4.588A 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 4708 removed outlier: 3.874A pdb=" N GLN C4700 " --> pdb=" O ASP C4696 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEU C4704 " --> pdb=" O GLN C4700 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N VAL C4705 " --> pdb=" O TRP C4701 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N LEU C4706 " --> pdb=" O ASP C4702 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ASN C4707 " --> pdb=" O ARG C4703 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR C4708 " --> pdb=" O LEU C4704 " (cutoff:3.500A) Processing helix chain 'C' and resid 4719 through 4728 Processing helix chain 'C' and resid 4733 through 4742 removed outlier: 4.621A pdb=" N GLY C4742 " --> pdb=" O ALA C4738 " (cutoff:3.500A) Processing helix chain 'C' and resid 4749 through 4755 Processing helix chain 'C' and resid 4772 through 4787 removed outlier: 5.450A pdb=" N ASN C4787 " --> pdb=" O ILE C4783 " (cutoff:3.500A) Processing helix chain 'C' and resid 4788 through 4802 removed outlier: 3.759A pdb=" N LEU C4792 " --> pdb=" O SER C4788 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N GLY C4802 " --> pdb=" O MET C4798 " (cutoff:3.500A) Processing helix chain 'C' and resid 4807 through 4820 removed outlier: 4.019A pdb=" N ALA C4811 " --> pdb=" O PHE C4807 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N HIS C4812 " --> pdb=" O PHE C4808 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU C4813 " --> pdb=" O PHE C4809 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N LEU C4814 " --> pdb=" O ALA C4810 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N ASP C4815 " --> pdb=" O ALA C4811 " (cutoff:3.500A) removed outlier: 5.378A pdb=" N ILE C4816 " --> pdb=" O HIS C4812 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N ALA C4817 " --> pdb=" O LEU C4813 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N MET C4818 " --> pdb=" O LEU C4814 " (cutoff:3.500A) Processing helix chain 'C' and resid 4821 through 4835 removed outlier: 4.160A pdb=" N ASN C4833 " --> pdb=" O SER C4829 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY C4834 " --> pdb=" O VAL C4830 " (cutoff:3.500A) removed outlier: 5.288A pdb=" N LYS C4835 " --> pdb=" O THR C4831 " (cutoff:3.500A) Processing helix chain 'C' and resid 4836 through 4859 Processing helix chain 'C' and resid 4878 through 4893 removed outlier: 3.989A pdb=" N LEU C4884 " --> pdb=" O MET C4880 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N VAL C4891 " --> pdb=" O MET C4887 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG C4892 " --> pdb=" O TYR C4888 " (cutoff:3.500A) Processing helix chain 'C' and resid 4896 through 4902 removed outlier: 5.676A pdb=" N GLU C4902 " --> pdb=" O GLY C4898 " (cutoff:3.500A) Processing helix chain 'C' and resid 4910 through 4924 removed outlier: 6.542A pdb=" N VAL C4914 " --> pdb=" O GLU C4910 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VAL C4915 " --> pdb=" O LEU C4911 " (cutoff:3.500A) Processing helix chain 'C' and resid 4928 through 4957 removed outlier: 3.622A pdb=" N ARG C4944 " --> pdb=" O PHE C4940 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLN C4947 " --> pdb=" O LEU C4943 " (cutoff:3.500A) removed outlier: 4.847A pdb=" N THR C4956 " --> pdb=" O GLU C4952 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LYS C4957 " --> pdb=" O ASP C4953 " (cutoff:3.500A) Processing helix chain 'C' and resid 4964 through 4972 removed outlier: 4.452A pdb=" N PHE C4968 " --> pdb=" O GLY C4964 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR C4971 " --> pdb=" O TYR C4967 " (cutoff:3.500A) Proline residue: C4972 - end of helix Processing helix chain 'C' and resid 4973 through 4982 Processing helix chain 'C' and resid 4984 through 4999 removed outlier: 7.166A pdb=" N TYR C4988 " --> pdb=" O ASN C4984 " (cutoff:3.500A) removed outlier: 6.410A pdb=" N MET C4989 " --> pdb=" O LEU C4985 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N ASP C4999 " --> pdb=" O LEU C4995 " (cutoff:3.500A) Processing helix chain 'C' and resid 5004 through 5017 Processing helix chain 'C' and resid 5027 through 5033 removed outlier: 6.050A pdb=" N GLN C5031 " --> pdb=" O CYS C5027 " (cutoff:3.500A) Processing helix chain 'C' and resid 4764 through 4769 removed outlier: 5.657A pdb=" N TRP C4767 " --> pdb=" O LEU C4764 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N LEU C4768 " --> pdb=" O LEU C4765 " (cutoff:3.500A) Processing helix chain 'C' and resid 1214 through 1219 removed outlier: 4.202A pdb=" N LEU C1219 " --> pdb=" O PHE C1214 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1214 through 1219' Processing helix chain 'C' and resid 4685 through 4690 Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.909A 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: 4.324A pdb=" N CYS D 253 " --> pdb=" O GLY D 249 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N THR D 254 " --> pdb=" O GLY D 250 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 5.334A 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 308 through 313 removed outlier: 6.725A pdb=" N THR D 312 " --> pdb=" O HIS D 308 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER D 313 " --> pdb=" O THR D 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 308 through 313' Processing helix chain 'D' and resid 364 through 371 removed outlier: 3.619A pdb=" N LEU D 369 " --> pdb=" O LYS D 365 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N GLY D 370 " --> pdb=" O ALA D 366 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N VAL D 371 " --> pdb=" O LEU D 367 " (cutoff:3.500A) Processing helix chain 'D' and resid 396 through 423 removed outlier: 3.796A pdb=" N ASP D 419 " --> pdb=" O ILE D 415 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N SER D 420 " --> pdb=" O LYS D 416 " (cutoff:3.500A) removed outlier: 4.960A pdb=" N PHE D 421 " --> pdb=" O GLY D 417 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N SER D 422 " --> pdb=" O LEU D 418 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N GLY D 423 " --> pdb=" O ASP D 419 " (cutoff:3.500A) Processing helix chain 'D' and resid 437 through 453 removed outlier: 3.952A pdb=" N VAL D 441 " --> pdb=" O PRO D 437 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N ILE D 442 " --> pdb=" O ILE D 438 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEU D 443 " --> pdb=" O GLU D 439 " (cutoff:3.500A) Processing helix chain 'D' and resid 460 through 482 removed outlier: 3.800A pdb=" N GLU D 480 " --> pdb=" O SER D 476 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLU D 481 " --> pdb=" O LEU D 477 " (cutoff:3.500A) removed outlier: 5.245A pdb=" N GLY D 482 " --> pdb=" O PHE D 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 483 through 496 removed outlier: 4.376A pdb=" N VAL D 487 " --> pdb=" O MET D 483 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N CYS D 490 " --> pdb=" O LEU D 486 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N VAL D 496 " --> pdb=" O ASP D 492 " (cutoff:3.500A) Processing helix chain 'D' and resid 511 through 532 removed outlier: 4.460A pdb=" N TRP D 515 " --> pdb=" O ALA D 511 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N GLY D 532 " --> pdb=" O SER D 528 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 541 removed outlier: 3.641A pdb=" N CYS D 537 " --> pdb=" O ASN D 533 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEU D 539 " --> pdb=" O ALA D 535 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) removed outlier: 5.323A pdb=" N SER D 541 " --> pdb=" O CYS D 537 " (cutoff:3.500A) Processing helix chain 'D' and resid 543 through 551 removed outlier: 3.668A pdb=" N LYS D 550 " --> pdb=" O TRP D 546 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 556 through 571 removed outlier: 3.735A pdb=" N VAL D 567 " --> pdb=" O VAL D 563 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEU D 568 " --> pdb=" O LEU D 564 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N ILE D 569 " --> pdb=" O TYR D 565 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU D 570 " --> pdb=" O CYS D 566 " (cutoff:3.500A) Processing helix chain 'D' and resid 572 through 578 removed outlier: 4.549A pdb=" N ASN D 576 " --> pdb=" O PRO D 572 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) removed outlier: 4.007A 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: 3.558A pdb=" N LEU D 590 " --> pdb=" O ILE D 586 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP D 591 " --> pdb=" O ILE D 587 " (cutoff:3.500A) Processing helix chain 'D' and resid 596 through 609 removed outlier: 3.692A pdb=" N LEU D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 625 removed outlier: 4.326A pdb=" N GLN D 618 " --> pdb=" O VAL D 614 " (cutoff:3.500A) Processing helix chain 'D' and resid 868 through 890 removed outlier: 3.856A pdb=" N GLU D 872 " --> pdb=" O GLU D 868 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N LYS D 873 " --> pdb=" O ARG D 869 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N TRP D 882 " --> pdb=" O ILE D 878 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ALA D 883 " --> pdb=" O HIS D 879 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N GLU D 888 " --> pdb=" O LEU D 884 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N GLN D 889 " --> pdb=" O THR D 885 " (cutoff:3.500A) Processing helix chain 'D' and resid 914 through 935 removed outlier: 5.178A pdb=" N LEU D 935 " --> pdb=" O THR D 931 " (cutoff:3.500A) Processing helix chain 'D' and resid 943 through 948 removed outlier: 6.279A pdb=" N GLU D 947 " --> pdb=" O ASP D 943 " (cutoff:3.500A) removed outlier: 3.949A 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 removed outlier: 3.759A pdb=" N MET D 960 " --> pdb=" O PRO D 956 " (cutoff:3.500A) Processing helix chain 'D' and resid 978 through 1001 removed outlier: 4.303A pdb=" N THR D 982 " --> pdb=" O THR D 978 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ASP D 999 " --> pdb=" O VAL D 995 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG D1000 " --> pdb=" O TRP D 996 " (cutoff:3.500A) Processing helix chain 'D' and resid 1029 through 1045 removed outlier: 3.569A pdb=" N ASP D1037 " --> pdb=" O ARG D1033 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N SER D1038 " --> pdb=" O SER D1034 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N LEU D1039 " --> pdb=" O ASN D1035 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N THR D1045 " --> pdb=" O GLN D1041 " (cutoff:3.500A) Processing helix chain 'D' and resid 1574 through 1581 removed outlier: 3.801A pdb=" N ALA D1578 " --> pdb=" O PRO D1574 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N MET D1579 " --> pdb=" O LEU D1575 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N PHE D1580 " --> pdb=" O SER D1576 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU D1581 " --> pdb=" O ALA D1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1574 through 1581' Processing helix chain 'D' and resid 1649 through 1654 removed outlier: 4.097A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 4.956A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1649 through 1654' Processing helix chain 'D' and resid 1656 through 1675 removed outlier: 6.006A pdb=" N GLN D1660 " --> pdb=" O ARG D1656 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ARG D1661 " --> pdb=" O LEU D1657 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS D1674 " --> pdb=" O TYR D1670 " (cutoff:3.500A) Processing helix chain 'D' and resid 1678 through 1690 removed outlier: 4.688A pdb=" N ALA D1682 " --> pdb=" O ASN D1678 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N HIS D1683 " --> pdb=" O ASN D1679 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA D1684 " --> pdb=" O ARG D1680 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ASP D1690 " --> pdb=" O CYS D1686 " (cutoff:3.500A) Processing helix chain 'D' and resid 1691 through 1701 removed outlier: 3.821A pdb=" N LEU D1698 " --> pdb=" O LEU D1694 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) removed outlier: 5.971A pdb=" N ALA D1701 " --> pdb=" O ALA D1697 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1719 removed outlier: 6.844A pdb=" N ARG D1708 " --> pdb=" O PRO D1704 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA D1709 " --> pdb=" O GLY D1705 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS D1719 " --> pdb=" O LEU D1715 " (cutoff:3.500A) Processing helix chain 'D' and resid 1720 through 1732 removed outlier: 4.577A pdb=" N SER D1732 " --> pdb=" O ARG D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1745 removed outlier: 4.153A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) Processing helix chain 'D' and resid 1754 through 1759 removed outlier: 4.287A pdb=" N ARG D1759 " --> pdb=" O GLY D1755 " (cutoff:3.500A) Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 3.699A pdb=" N LEU D1807 " --> pdb=" O PRO D1803 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASP D1809 " --> pdb=" O GLU D1805 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL D1819 " --> pdb=" O LEU D1815 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ARG D1820 " --> pdb=" O GLY D1816 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLN D1824 " --> pdb=" O ARG D1820 " (cutoff:3.500A) removed outlier: 4.455A 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: 3.692A pdb=" N MET D1851 " --> pdb=" O THR D1847 " (cutoff:3.500A) Processing helix chain 'D' and resid 1855 through 1865 removed outlier: 4.020A pdb=" N MET D1865 " --> pdb=" O GLN D1861 " (cutoff:3.500A) Processing helix chain 'D' and resid 1932 through 1984 removed outlier: 7.021A pdb=" N LYS D1936 " --> pdb=" O PRO D1932 " (cutoff:3.500A) removed outlier: 5.879A pdb=" N LEU D1937 " --> pdb=" O GLU D1933 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N GLN D1938 " --> pdb=" O SER D1934 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N TYR D1945 " --> pdb=" O ASN D1941 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N PHE D1946 " --> pdb=" O LEU D1942 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU D1950 " --> pdb=" O PHE D1946 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU D1951 " --> pdb=" O CYS D1947 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU D1963 " --> pdb=" O ALA D1959 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ARG D1964 " --> pdb=" O ALA D1960 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N PHE D1984 " --> pdb=" O LEU D1980 " (cutoff:3.500A) Processing helix chain 'D' and resid 1987 through 1999 removed outlier: 4.146A pdb=" N ARG D1996 " --> pdb=" O ALA D1992 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N GLU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N PHE D1998 " --> pdb=" O ARG D1994 " (cutoff:3.500A) Processing helix chain 'D' and resid 2001 through 2015 removed outlier: 3.569A pdb=" N LEU D2009 " --> pdb=" O GLN D2005 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LEU D2010 " --> pdb=" O ILE D2006 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N GLU D2015 " --> pdb=" O HIS D2011 " (cutoff:3.500A) Processing helix chain 'D' and resid 2027 through 2043 removed outlier: 4.730A pdb=" N LEU D2031 " --> pdb=" O ILE D2027 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLN D2032 " --> pdb=" O ARG D2028 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2109 removed outlier: 3.519A pdb=" N VAL D2103 " --> pdb=" O SER D2099 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASP D2109 " --> pdb=" O TRP D2105 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 3.720A pdb=" N LEU D2123 " --> pdb=" O ALA D2119 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N GLY D2130 " --> pdb=" O ARG D2126 " (cutoff:3.500A) Processing helix chain 'D' and resid 2131 through 2142 Proline residue: D2139 - end of helix removed outlier: 5.700A pdb=" N TYR D2142 " --> pdb=" O LEU D2138 " (cutoff:3.500A) Processing helix chain 'D' and resid 2148 through 2169 removed outlier: 4.273A pdb=" N SER D2154 " --> pdb=" O GLU D2150 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N LEU D2155 " --> pdb=" O ASP D2151 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) removed outlier: 5.591A pdb=" N GLN D2169 " --> pdb=" O LEU D2165 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2188 removed outlier: 3.577A pdb=" N ASN D2176 " --> pdb=" O PRO D2172 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LEU D2177 " --> pdb=" O GLN D2173 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N ASN D2187 " --> pdb=" O GLY D2183 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) Processing helix chain 'D' and resid 2189 through 2195 removed outlier: 4.542A pdb=" N GLN D2193 " --> pdb=" O LYS D2189 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N HIS D2194 " --> pdb=" O VAL D2190 " (cutoff:3.500A) Proline residue: D2195 - end of helix No H-bonds generated for 'chain 'D' and resid 2189 through 2195' Processing helix chain 'D' and resid 2196 through 2202 Processing helix chain 'D' and resid 2203 through 2216 removed outlier: 3.925A pdb=" N ASN D2213 " --> pdb=" O GLU D2209 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N VAL D2214 " --> pdb=" O VAL D2210 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU D2215 " --> pdb=" O MET D2211 " (cutoff:3.500A) Processing helix chain 'D' and resid 2227 through 2244 removed outlier: 4.449A pdb=" N SER D2231 " --> pdb=" O LYS D2227 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2255 removed outlier: 4.199A pdb=" N SER D2249 " --> pdb=" O GLN D2245 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ASP D2252 " --> pdb=" O ARG D2248 " (cutoff:3.500A) removed outlier: 4.641A pdb=" N HIS D2253 " --> pdb=" O SER D2249 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N LEU D2254 " --> pdb=" O MET D2250 " (cutoff:3.500A) removed outlier: 5.141A pdb=" N SER D2255 " --> pdb=" O PHE D2251 " (cutoff:3.500A) Processing helix chain 'D' and resid 2256 through 2265 removed outlier: 3.630A pdb=" N ASN D2260 " --> pdb=" O TYR D2256 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) removed outlier: 4.726A pdb=" N ILE D2263 " --> pdb=" O GLU D2259 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLY D2264 " --> pdb=" O ASN D2260 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LEU D2265 " --> pdb=" O SER D2261 " (cutoff:3.500A) Processing helix chain 'D' and resid 2271 through 2282 removed outlier: 3.847A pdb=" N VAL D2275 " --> pdb=" O THR D2271 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA D2276 " --> pdb=" O PRO D2272 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ILE D2281 " --> pdb=" O ALA D2277 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N ASP D2282 " --> pdb=" O ALA D2278 " (cutoff:3.500A) Processing helix chain 'D' and resid 2286 through 2291 removed outlier: 3.702A pdb=" N LEU D2290 " --> pdb=" O LEU D2286 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLN D2291 " --> pdb=" O ALA D2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2286 through 2291' Processing helix chain 'D' and resid 2294 through 2309 removed outlier: 3.780A pdb=" N VAL D2299 " --> pdb=" O LEU D2295 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N SER D2300 " --> pdb=" O GLU D2296 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N TYR D2301 " --> pdb=" O LYS D2297 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU D2302 " --> pdb=" O VAL D2298 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU D2307 " --> pdb=" O ALA D2303 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N SER D2309 " --> pdb=" O CYS D2305 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2315 removed outlier: 3.831A pdb=" N LEU D2314 " --> pdb=" O CYS D2310 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ALA D2315 " --> pdb=" O PRO D2311 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2310 through 2315' Processing helix chain 'D' and resid 2324 through 2341 removed outlier: 3.705A pdb=" N GLY D2328 " --> pdb=" O ASN D2324 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N LEU D2332 " --> pdb=" O GLY D2328 " (cutoff:3.500A) removed outlier: 5.490A pdb=" N ASP D2333 " --> pdb=" O GLU D2329 " (cutoff:3.500A) removed outlier: 5.737A pdb=" N PHE D2334 " --> pdb=" O ARG D2330 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N LEU D2335 " --> pdb=" O TYR D2331 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N VAL D2341 " --> pdb=" O PHE D2337 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2361 removed outlier: 3.856A pdb=" N VAL D2352 " --> pdb=" O GLU D2348 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ARG D2359 " --> pdb=" O ARG D2355 " (cutoff:3.500A) removed outlier: 4.563A 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: 4.484A pdb=" N ARG D2452 " --> pdb=" O GLY D2448 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE D2453 " --> pdb=" O GLU D2449 " (cutoff:3.500A) Proline residue: D2462 - end of helix Processing helix chain 'D' and resid 2464 through 2472 removed outlier: 4.295A pdb=" N GLY D2468 " --> pdb=" O ASP D2464 " (cutoff:3.500A) Processing helix chain 'D' and resid 2751 through 2774 removed outlier: 5.005A pdb=" N ILE D2755 " --> pdb=" O LEU D2751 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N THR D2762 " --> pdb=" O PHE D2758 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N HIS D2763 " --> pdb=" O ALA D2759 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU D2764 " --> pdb=" O GLU D2760 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LYS D2765 " --> pdb=" O TYR D2761 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TRP D2766 " --> pdb=" O THR D2762 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ALA D2767 " --> pdb=" O HIS D2763 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE D2768 " --> pdb=" O GLU D2764 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASP D2769 " --> pdb=" O LYS D2765 " (cutoff:3.500A) removed outlier: 5.883A pdb=" N LYS D2770 " --> pdb=" O TRP D2766 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N ILE D2771 " --> pdb=" O ALA D2767 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N GLN D2772 " --> pdb=" O PHE D2768 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ASN D2773 " --> pdb=" O ASP D2769 " (cutoff:3.500A) Processing helix chain 'D' and resid 2798 through 2804 removed outlier: 4.578A pdb=" N LYS D2802 " --> pdb=" O SER D2798 " (cutoff:3.500A) Processing helix chain 'D' and resid 2807 through 2813 removed outlier: 4.270A pdb=" N GLU D2811 " --> pdb=" O TRP D2807 " (cutoff:3.500A) removed outlier: 5.488A pdb=" N SER D2812 " --> pdb=" O PRO D2808 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEU D2813 " --> pdb=" O ILE D2809 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2807 through 2813' Processing helix chain 'D' and resid 2868 through 2873 removed outlier: 5.175A pdb=" N GLN D2872 " --> pdb=" O SER D2868 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N ALA D2873 " --> pdb=" O ARG D2869 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2868 through 2873' Processing helix chain 'D' and resid 2874 through 2891 removed outlier: 4.589A pdb=" N ALA D2879 " --> pdb=" O ALA D2875 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ASN D2881 " --> pdb=" O GLN D2877 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N TYR D2882 " --> pdb=" O LEU D2878 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N LYS D2890 " --> pdb=" O TRP D2886 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N LYS D2891 " --> pdb=" O GLY D2887 " (cutoff:3.500A) Processing helix chain 'D' and resid 2919 through 2930 removed outlier: 4.481A pdb=" N ALA D2923 " --> pdb=" O ASP D2919 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU D2925 " --> pdb=" O GLU D2921 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N LYS D2928 " --> pdb=" O GLN D2924 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N PHE D2929 " --> pdb=" O GLU D2925 " (cutoff:3.500A) Processing helix chain 'D' and resid 3645 through 3657 removed outlier: 3.829A pdb=" N GLU D3655 " --> pdb=" O ASN D3651 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N SER D3656 " --> pdb=" O MET D3652 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N TYR D3657 " --> pdb=" O PHE D3653 " (cutoff:3.500A) Processing helix chain 'D' and resid 3668 through 3680 removed outlier: 4.364A pdb=" N ALA D3680 " --> pdb=" O ASP D3676 " (cutoff:3.500A) Processing helix chain 'D' and resid 3683 through 3688 Processing helix chain 'D' and resid 3696 through 3712 removed outlier: 5.576A pdb=" N GLU D3712 " --> pdb=" O THR D3708 " (cutoff:3.500A) Processing helix chain 'D' and resid 3719 through 3735 removed outlier: 4.085A pdb=" N ASP D3727 " --> pdb=" O MET D3723 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N CYS D3733 " --> pdb=" O MET D3729 " (cutoff:3.500A) Processing helix chain 'D' and resid 3752 through 3771 removed outlier: 3.913A pdb=" N LEU D3770 " --> pdb=" O GLN D3766 " (cutoff:3.500A) Processing helix chain 'D' and resid 3774 through 3787 removed outlier: 4.116A pdb=" N MET D3778 " --> pdb=" O GLY D3774 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N VAL D3779 " --> pdb=" O ALA D3775 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU D3780 " --> pdb=" O ALA D3776 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N LYS D3787 " --> pdb=" O ILE D3783 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 removed outlier: 3.655A pdb=" N SER D3795 " --> pdb=" O GLY D3791 " (cutoff:3.500A) Processing helix chain 'D' and resid 3809 through 3824 Processing helix chain 'D' and resid 3826 through 3839 removed outlier: 6.674A pdb=" N GLN D3830 " --> pdb=" O VAL D3826 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3843 through 3858 removed outlier: 4.920A pdb=" N MET D3858 " --> pdb=" O GLU D3854 " (cutoff:3.500A) Processing helix chain 'D' and resid 3862 through 3872 removed outlier: 4.578A pdb=" N GLU D3872 " --> pdb=" O ARG D3868 " (cutoff:3.500A) Processing helix chain 'D' and resid 3877 through 3893 removed outlier: 3.744A pdb=" N CYS D3892 " --> pdb=" O LEU D3888 " (cutoff:3.500A) Processing helix chain 'D' and resid 3896 through 3905 removed outlier: 3.707A pdb=" N ARG D3904 " --> pdb=" O GLN D3900 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3939 removed outlier: 3.949A pdb=" N CYS D3918 " --> pdb=" O ASN D3914 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N GLY D3939 " --> pdb=" O TRP D3935 " (cutoff:3.500A) Processing helix chain 'D' and resid 3944 through 3970 removed outlier: 3.708A pdb=" N GLN D3960 " --> pdb=" O SER D3956 " (cutoff:3.500A) Processing helix chain 'D' and resid 3973 through 3984 removed outlier: 4.921A pdb=" N ARG D3984 " --> pdb=" O LEU D3980 " (cutoff:3.500A) Processing helix chain 'D' and resid 3985 through 4004 Processing helix chain 'D' and resid 4009 through 4032 removed outlier: 3.740A pdb=" N LEU D4031 " --> pdb=" O LEU D4027 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N GLU D4032 " --> pdb=" O LEU D4028 " (cutoff:3.500A) Processing helix chain 'D' and resid 4039 through 4052 removed outlier: 5.909A pdb=" N GLN D4043 " --> pdb=" O MET D4039 " (cutoff:3.500A) Processing helix chain 'D' and resid 4053 through 4074 removed outlier: 3.513A pdb=" N PHE D4065 " --> pdb=" O PHE D4061 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLY D4073 " --> pdb=" O LYS D4069 " (cutoff:3.500A) Processing helix chain 'D' and resid 4075 through 4082 removed outlier: 4.413A pdb=" N THR D4082 " --> pdb=" O GLN D4078 " (cutoff:3.500A) Processing helix chain 'D' and resid 4089 through 4101 removed outlier: 3.579A pdb=" N GLN D4094 " --> pdb=" O LYS D4090 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LYS D4095 " --> pdb=" O LYS D4091 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LYS D4101 " --> pdb=" O MET D4097 " (cutoff:3.500A) Processing helix chain 'D' and resid 4104 through 4116 removed outlier: 3.706A pdb=" N ILE D4108 " --> pdb=" O THR D4104 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N GLN D4109 " --> pdb=" O GLY D4105 " (cutoff:3.500A) removed outlier: 5.171A pdb=" N GLU D4116 " --> pdb=" O LEU D4112 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4132 removed outlier: 5.407A pdb=" N PHE D4132 " --> pdb=" O PHE D4128 " (cutoff:3.500A) Processing helix chain 'D' and resid 4134 through 4155 removed outlier: 4.572A pdb=" N ASP D4138 " --> pdb=" O GLU D4134 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N ILE D4139 " --> pdb=" O PRO D4135 " (cutoff:3.500A) Proline residue: D4155 - end of helix Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 4.024A pdb=" N ARG D4161 " --> pdb=" O ASP D4157 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASN D4162 " --> pdb=" O PRO D4158 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE D4163 " --> pdb=" O ARG D4159 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4179 Proline residue: D4176 - end of helix removed outlier: 5.791A pdb=" N GLY D4179 " --> pdb=" O ARG D4175 " (cutoff:3.500A) Processing helix chain 'D' and resid 4198 through 4207 removed outlier: 3.502A pdb=" N ARG D4202 " --> pdb=" O SER D4198 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N MET D4207 " --> pdb=" O ALA D4203 " (cutoff:3.500A) Processing helix chain 'D' and resid 4208 through 4224 Processing helix chain 'D' and resid 4229 through 4252 removed outlier: 3.570A pdb=" N PHE D4243 " --> pdb=" O GLU D4239 " (cutoff:3.500A) Processing helix chain 'D' and resid 4540 through 4559 removed outlier: 3.918A pdb=" N PHE D4559 " --> pdb=" O LEU D4555 " (cutoff:3.500A) Processing helix chain 'D' and resid 4560 through 4580 removed outlier: 5.013A pdb=" N TYR D4580 " --> pdb=" O ILE D4576 " (cutoff:3.500A) Processing helix chain 'D' and resid 4642 through 4684 removed outlier: 4.219A pdb=" N LEU D4646 " --> pdb=" O ALA D4642 " (cutoff:3.500A) removed outlier: 4.587A 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 4708 removed outlier: 3.874A pdb=" N GLN D4700 " --> pdb=" O ASP D4696 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEU D4704 " --> pdb=" O GLN D4700 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N VAL D4705 " --> pdb=" O TRP D4701 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N LEU D4706 " --> pdb=" O ASP D4702 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ASN D4707 " --> pdb=" O ARG D4703 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR D4708 " --> pdb=" O LEU D4704 " (cutoff:3.500A) Processing helix chain 'D' and resid 4719 through 4728 Processing helix chain 'D' and resid 4733 through 4742 removed outlier: 4.620A pdb=" N GLY D4742 " --> pdb=" O ALA D4738 " (cutoff:3.500A) Processing helix chain 'D' and resid 4749 through 4755 Processing helix chain 'D' and resid 4772 through 4787 removed outlier: 5.450A pdb=" N ASN D4787 " --> pdb=" O ILE D4783 " (cutoff:3.500A) Processing helix chain 'D' and resid 4788 through 4802 removed outlier: 3.758A pdb=" N LEU D4792 " --> pdb=" O SER D4788 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N GLY D4802 " --> pdb=" O MET D4798 " (cutoff:3.500A) Processing helix chain 'D' and resid 4807 through 4820 removed outlier: 4.019A pdb=" N ALA D4811 " --> pdb=" O PHE D4807 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N HIS D4812 " --> pdb=" O PHE D4808 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N ASP D4815 " --> pdb=" O ALA D4811 " (cutoff:3.500A) removed outlier: 5.379A pdb=" N ILE D4816 " --> pdb=" O HIS D4812 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N ALA D4817 " --> pdb=" O LEU D4813 " (cutoff:3.500A) removed outlier: 4.680A pdb=" N MET D4818 " --> pdb=" O LEU D4814 " (cutoff:3.500A) Processing helix chain 'D' and resid 4821 through 4835 removed outlier: 4.160A pdb=" N ASN D4833 " --> pdb=" O SER D4829 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY D4834 " --> pdb=" O VAL D4830 " (cutoff:3.500A) removed outlier: 5.289A pdb=" N LYS D4835 " --> pdb=" O THR D4831 " (cutoff:3.500A) Processing helix chain 'D' and resid 4836 through 4859 Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 3.989A pdb=" N LEU D4884 " --> pdb=" O MET D4880 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N VAL D4891 " --> pdb=" O MET D4887 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4896 through 4902 removed outlier: 5.676A pdb=" N GLU D4902 " --> pdb=" O GLY D4898 " (cutoff:3.500A) Processing helix chain 'D' and resid 4910 through 4924 removed outlier: 6.541A pdb=" N VAL D4914 " --> pdb=" O GLU D4910 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N VAL D4915 " --> pdb=" O LEU D4911 " (cutoff:3.500A) Processing helix chain 'D' and resid 4928 through 4957 removed outlier: 3.622A pdb=" N ARG D4944 " --> pdb=" O PHE D4940 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLN D4947 " --> pdb=" O LEU D4943 " (cutoff:3.500A) removed outlier: 4.847A pdb=" N THR D4956 " --> pdb=" O GLU D4952 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LYS D4957 " --> pdb=" O ASP D4953 " (cutoff:3.500A) Processing helix chain 'D' and resid 4964 through 4972 removed outlier: 4.452A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR D4971 " --> pdb=" O TYR D4967 " (cutoff:3.500A) Proline residue: D4972 - end of helix Processing helix chain 'D' and resid 4973 through 4982 Processing helix chain 'D' and resid 4984 through 4999 removed outlier: 7.165A pdb=" N TYR D4988 " --> pdb=" O ASN D4984 " (cutoff:3.500A) removed outlier: 6.411A pdb=" N MET D4989 " --> pdb=" O LEU D4985 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N ASP D4999 " --> pdb=" O LEU D4995 " (cutoff:3.500A) Processing helix chain 'D' and resid 5004 through 5017 Processing helix chain 'D' and resid 5027 through 5033 removed outlier: 6.050A pdb=" N GLN D5031 " --> pdb=" O CYS D5027 " (cutoff:3.500A) Processing helix chain 'D' and resid 4764 through 4769 removed outlier: 5.657A pdb=" N TRP D4767 " --> pdb=" O LEU D4764 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N LEU D4768 " --> pdb=" O LEU D4765 " (cutoff:3.500A) Processing helix chain 'D' and resid 1214 through 1219 removed outlier: 4.202A pdb=" N LEU D1219 " --> pdb=" O PHE D1214 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1214 through 1219' Processing helix chain 'D' and resid 4685 through 4690 Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 52 removed outlier: 6.742A pdb=" N LYS A 34 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LEU A 33 " --> pdb=" O ALA A 26 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU A 37 " --> pdb=" O LEU A 22 " (cutoff:3.500A) removed outlier: 5.915A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 10.455A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 13.579A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) removed outlier: 7.366A pdb=" N GLU A 19 " --> pdb=" O ILE A 205 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 105 through 108 removed outlier: 4.565A pdb=" N HIS A 105 " --> pdb=" O MET A 150 " (cutoff:3.500A) removed outlier: 7.701A pdb=" N TRP A 147 " --> pdb=" O VAL A 174 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N ALA A 153 " --> pdb=" O ASP A 168 " (cutoff:3.500A) removed outlier: 8.038A pdb=" N ASP A 168 " --> pdb=" O ALA A 153 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 116 through 120 Processing sheet with id= 4, first strand: chain 'A' and resid 181 through 185 Processing sheet with id= 5, first strand: chain 'A' and resid 230 through 233 removed outlier: 5.219A pdb=" N VAL A 245 " --> pdb=" O ALA A 376 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS A 374 " --> pdb=" O TYR A 247 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 260 through 264 Processing sheet with id= 7, first strand: chain 'A' and resid 681 through 686 removed outlier: 4.535A pdb=" N TRP A1626 " --> pdb=" O PHE A 791 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE A 791 " --> pdb=" O TRP A1626 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N LYS A 788 " --> pdb=" O ASP A 669 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ASP A 669 " --> pdb=" O LYS A 788 " (cutoff:3.500A) removed outlier: 7.104A pdb=" N TRP A 662 " --> pdb=" O CYS A 747 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N CYS A 747 " --> pdb=" O TRP A 662 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N PHE A 664 " --> pdb=" O SER A 745 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N SER A 745 " --> pdb=" O PHE A 664 " (cutoff:3.500A) removed outlier: 6.540A pdb=" N VAL A 666 " --> pdb=" O VAL A 743 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL A 743 " --> pdb=" O VAL A 666 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N VAL A 668 " --> pdb=" O GLU A 741 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 830 through 833 removed outlier: 4.371A pdb=" N GLY A 836 " --> pdb=" O GLY A 833 " (cutoff:3.500A) removed outlier: 5.220A pdb=" N LEU A1202 " --> pdb=" O PRO A 837 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) removed outlier: 6.620A pdb=" N VAL A1199 " --> pdb=" O VAL A1095 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 1134 through 1138 removed outlier: 4.817A pdb=" N VAL A1123 " --> pdb=" O TRP A1132 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N GLY A1126 " --> pdb=" O MET A1100 " (cutoff:3.500A) removed outlier: 7.699A pdb=" N MET A1100 " --> pdb=" O GLY A1126 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N GLU A1099 " --> pdb=" O GLY A1195 " (cutoff:3.500A) removed outlier: 10.314A pdb=" N VAL A1072 " --> pdb=" O SER A1241 " (cutoff:3.500A) removed outlier: 7.435A pdb=" N SER A1241 " --> pdb=" O VAL A1072 " (cutoff:3.500A) removed outlier: 5.162A pdb=" N ILE A1074 " --> pdb=" O SER A1239 " (cutoff:3.500A) removed outlier: 6.846A pdb=" N GLU A1078 " --> pdb=" O THR A1235 " (cutoff:3.500A) removed outlier: 7.537A pdb=" N THR A1235 " --> pdb=" O GLU A1078 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 4180 through 4184 Processing sheet with id= 11, first strand: chain 'A' and resid 1615 through 1619 Processing sheet with id= 12, first strand: chain 'B' and resid 47 through 52 removed outlier: 6.741A pdb=" N LYS B 34 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LEU B 33 " --> pdb=" O ALA B 26 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N LEU B 37 " --> pdb=" O LEU B 22 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N LEU B 22 " --> pdb=" O LEU B 37 " (cutoff:3.500A) removed outlier: 10.455A pdb=" N ALA B 39 " --> pdb=" O VAL B 20 " (cutoff:3.500A) removed outlier: 13.578A pdb=" N VAL B 20 " --> pdb=" O ALA B 39 " (cutoff:3.500A) removed outlier: 7.366A pdb=" N GLU B 19 " --> pdb=" O ILE B 205 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'B' and resid 105 through 108 removed outlier: 4.564A pdb=" N HIS B 105 " --> pdb=" O MET B 150 " (cutoff:3.500A) removed outlier: 7.701A pdb=" N TRP B 147 " --> pdb=" O VAL B 174 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N ALA B 153 " --> pdb=" O ASP B 168 " (cutoff:3.500A) removed outlier: 8.038A pdb=" N ASP B 168 " --> pdb=" O ALA B 153 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'B' and resid 116 through 120 Processing sheet with id= 15, first strand: chain 'B' and resid 181 through 185 Processing sheet with id= 16, first strand: chain 'B' and resid 230 through 233 removed outlier: 5.218A pdb=" N VAL B 245 " --> pdb=" O ALA B 376 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS B 374 " --> pdb=" O TYR B 247 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'B' and resid 260 through 264 Processing sheet with id= 18, first strand: chain 'B' and resid 681 through 686 removed outlier: 4.535A pdb=" N TRP B1626 " --> pdb=" O PHE B 791 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE B 791 " --> pdb=" O TRP B1626 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N LYS B 788 " --> pdb=" O ASP B 669 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ASP B 669 " --> pdb=" O LYS B 788 " (cutoff:3.500A) removed outlier: 7.103A pdb=" N TRP B 662 " --> pdb=" O CYS B 747 " (cutoff:3.500A) removed outlier: 4.792A pdb=" N CYS B 747 " --> pdb=" O TRP B 662 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N PHE B 664 " --> pdb=" O SER B 745 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N SER B 745 " --> pdb=" O PHE B 664 " (cutoff:3.500A) removed outlier: 6.540A pdb=" N VAL B 666 " --> pdb=" O VAL B 743 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N VAL B 743 " --> pdb=" O VAL B 666 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N VAL B 668 " --> pdb=" O GLU B 741 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'B' and resid 830 through 833 removed outlier: 4.370A pdb=" N GLY B 836 " --> pdb=" O GLY B 833 " (cutoff:3.500A) removed outlier: 5.221A 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: 6.620A pdb=" N VAL B1199 " --> pdb=" O VAL B1095 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'B' and resid 1134 through 1138 removed outlier: 4.816A pdb=" N VAL B1123 " --> pdb=" O TRP B1132 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N GLY B1126 " --> pdb=" O MET B1100 " (cutoff:3.500A) removed outlier: 7.699A pdb=" N MET B1100 " --> pdb=" O GLY B1126 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N GLU B1099 " --> pdb=" O GLY B1195 " (cutoff:3.500A) removed outlier: 10.314A pdb=" N VAL B1072 " --> pdb=" O SER B1241 " (cutoff:3.500A) removed outlier: 7.436A pdb=" N SER B1241 " --> pdb=" O VAL B1072 " (cutoff:3.500A) removed outlier: 5.162A pdb=" N ILE B1074 " --> pdb=" O SER B1239 " (cutoff:3.500A) removed outlier: 6.847A pdb=" N GLU B1078 " --> pdb=" O THR B1235 " (cutoff:3.500A) removed outlier: 7.537A pdb=" N THR B1235 " --> pdb=" O GLU B1078 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'B' and resid 4180 through 4184 Processing sheet with id= 22, first strand: chain 'B' and resid 1615 through 1619 Processing sheet with id= 23, first strand: chain 'C' and resid 47 through 52 removed outlier: 6.742A pdb=" N LYS C 34 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LEU C 33 " --> pdb=" O ALA C 26 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU C 37 " --> pdb=" O LEU C 22 " (cutoff:3.500A) removed outlier: 5.915A pdb=" N LEU C 22 " --> pdb=" O LEU C 37 " (cutoff:3.500A) removed outlier: 10.455A pdb=" N ALA C 39 " --> pdb=" O VAL C 20 " (cutoff:3.500A) removed outlier: 13.579A pdb=" N VAL C 20 " --> pdb=" O ALA C 39 " (cutoff:3.500A) removed outlier: 7.365A pdb=" N GLU C 19 " --> pdb=" O ILE C 205 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'C' and resid 105 through 108 removed outlier: 4.564A pdb=" N HIS C 105 " --> pdb=" O MET C 150 " (cutoff:3.500A) removed outlier: 7.701A pdb=" N TRP C 147 " --> pdb=" O VAL C 174 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N ALA C 153 " --> pdb=" O ASP C 168 " (cutoff:3.500A) removed outlier: 8.037A pdb=" N ASP C 168 " --> pdb=" O ALA C 153 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'C' and resid 116 through 120 Processing sheet with id= 26, first strand: chain 'C' and resid 181 through 185 Processing sheet with id= 27, first strand: chain 'C' and resid 230 through 233 removed outlier: 5.218A pdb=" N VAL C 245 " --> pdb=" O ALA C 376 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N LYS C 374 " --> pdb=" O TYR C 247 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'C' and resid 260 through 264 Processing sheet with id= 29, first strand: chain 'C' and resid 681 through 686 removed outlier: 4.535A pdb=" N TRP C1626 " --> pdb=" O PHE C 791 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE C 791 " --> pdb=" O TRP C1626 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N LYS C 788 " --> pdb=" O ASP C 669 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ASP C 669 " --> pdb=" O LYS C 788 " (cutoff:3.500A) removed outlier: 7.104A pdb=" N TRP C 662 " --> pdb=" O CYS C 747 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N CYS C 747 " --> pdb=" O TRP C 662 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N PHE C 664 " --> pdb=" O SER C 745 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N SER C 745 " --> pdb=" O PHE C 664 " (cutoff:3.500A) removed outlier: 6.540A pdb=" N VAL C 666 " --> pdb=" O VAL C 743 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL C 743 " --> pdb=" O VAL C 666 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N VAL C 668 " --> pdb=" O GLU C 741 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'C' and resid 830 through 833 removed outlier: 4.370A pdb=" N GLY C 836 " --> pdb=" O GLY C 833 " (cutoff:3.500A) removed outlier: 5.221A 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: 6.620A pdb=" N VAL C1199 " --> pdb=" O VAL C1095 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'C' and resid 1134 through 1138 removed outlier: 4.817A pdb=" N VAL C1123 " --> pdb=" O TRP C1132 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N GLY C1126 " --> pdb=" O MET C1100 " (cutoff:3.500A) removed outlier: 7.699A pdb=" N MET C1100 " --> pdb=" O GLY C1126 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N GLU C1099 " --> pdb=" O GLY C1195 " (cutoff:3.500A) removed outlier: 10.314A pdb=" N VAL C1072 " --> pdb=" O SER C1241 " (cutoff:3.500A) removed outlier: 7.435A pdb=" N SER C1241 " --> pdb=" O VAL C1072 " (cutoff:3.500A) removed outlier: 5.161A pdb=" N ILE C1074 " --> pdb=" O SER C1239 " (cutoff:3.500A) removed outlier: 6.846A pdb=" N GLU C1078 " --> pdb=" O THR C1235 " (cutoff:3.500A) removed outlier: 7.537A pdb=" N THR C1235 " --> pdb=" O GLU C1078 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'C' and resid 4180 through 4184 Processing sheet with id= 33, first strand: chain 'C' and resid 1615 through 1619 Processing sheet with id= 34, first strand: chain 'D' and resid 47 through 52 removed outlier: 6.742A pdb=" N LYS D 34 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N LEU D 33 " --> pdb=" O ALA D 26 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU D 37 " --> pdb=" O LEU D 22 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 10.455A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 13.579A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) removed outlier: 7.366A pdb=" N GLU D 19 " --> pdb=" O ILE D 205 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'D' and resid 105 through 108 removed outlier: 4.565A pdb=" N HIS D 105 " --> pdb=" O MET D 150 " (cutoff:3.500A) removed outlier: 7.701A pdb=" N TRP D 147 " --> pdb=" O VAL D 174 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N ALA D 153 " --> pdb=" O ASP D 168 " (cutoff:3.500A) removed outlier: 8.038A pdb=" N ASP D 168 " --> pdb=" O ALA D 153 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'D' and resid 116 through 120 Processing sheet with id= 37, first strand: chain 'D' and resid 181 through 185 Processing sheet with id= 38, first strand: chain 'D' and resid 230 through 233 removed outlier: 5.219A pdb=" N VAL D 245 " --> pdb=" O ALA D 376 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS D 374 " --> pdb=" O TYR D 247 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'D' and resid 260 through 264 Processing sheet with id= 40, first strand: chain 'D' and resid 681 through 686 removed outlier: 4.536A pdb=" N TRP D1626 " --> pdb=" O PHE D 791 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE D 791 " --> pdb=" O TRP D1626 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N LYS D 788 " --> pdb=" O ASP D 669 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ASP D 669 " --> pdb=" O LYS D 788 " (cutoff:3.500A) removed outlier: 7.104A pdb=" N TRP D 662 " --> pdb=" O CYS D 747 " (cutoff:3.500A) removed outlier: 4.792A pdb=" N CYS D 747 " --> pdb=" O TRP D 662 " (cutoff:3.500A) removed outlier: 6.931A pdb=" N PHE D 664 " --> pdb=" O SER D 745 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N SER D 745 " --> pdb=" O PHE D 664 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N VAL D 666 " --> pdb=" O VAL D 743 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N VAL D 743 " --> pdb=" O VAL D 666 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N VAL D 668 " --> pdb=" O GLU D 741 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'D' and resid 830 through 833 removed outlier: 4.370A pdb=" N GLY D 836 " --> pdb=" O GLY D 833 " (cutoff:3.500A) removed outlier: 5.220A 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: 6.620A pdb=" N VAL D1199 " --> pdb=" O VAL D1095 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'D' and resid 1134 through 1138 removed outlier: 4.816A pdb=" N VAL D1123 " --> pdb=" O TRP D1132 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N GLY D1126 " --> pdb=" O MET D1100 " (cutoff:3.500A) removed outlier: 7.699A pdb=" N MET D1100 " --> pdb=" O GLY D1126 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N GLU D1099 " --> pdb=" O GLY D1195 " (cutoff:3.500A) removed outlier: 10.314A pdb=" N VAL D1072 " --> pdb=" O SER D1241 " (cutoff:3.500A) removed outlier: 7.436A pdb=" N SER D1241 " --> pdb=" O VAL D1072 " (cutoff:3.500A) removed outlier: 5.162A pdb=" N ILE D1074 " --> pdb=" O SER D1239 " (cutoff:3.500A) removed outlier: 6.846A pdb=" N GLU D1078 " --> pdb=" O THR D1235 " (cutoff:3.500A) removed outlier: 7.537A pdb=" N THR D1235 " --> pdb=" O GLU D1078 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'D' and resid 4180 through 4184 Processing sheet with id= 44, first strand: chain 'D' and resid 1615 through 1619 4384 hydrogen bonds defined for protein. 13092 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 54.46 Time building geometry restraints manager: 37.13 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: 40029 1.35 - 1.48: 28058 1.48 - 1.61: 50213 1.61 - 1.74: 16 1.74 - 1.87: 996 Bond restraints: 119312 Sorted by residual: bond pdb=" C1' ACP A5101 " pdb=" O4' ACP A5101 " ideal model delta sigma weight residual 1.390 1.625 -0.235 2.00e-02 2.50e+03 1.38e+02 bond pdb=" C1' ACP B5101 " pdb=" O4' ACP B5101 " ideal model delta sigma weight residual 1.390 1.624 -0.234 2.00e-02 2.50e+03 1.37e+02 bond pdb=" C1' ACP D5101 " pdb=" O4' ACP D5101 " 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 A5101 " pdb=" C2' ACP A5101 " ideal model delta sigma weight residual 1.527 1.296 0.231 2.00e-02 2.50e+03 1.34e+02 bond pdb=" C1' ACP C5101 " pdb=" O4' ACP C5101 " ideal model delta sigma weight residual 1.390 1.621 -0.231 2.00e-02 2.50e+03 1.34e+02 ... (remaining 119307 not shown) Histogram of bond angle deviations from ideal: 94.75 - 102.62: 448 102.62 - 110.49: 29395 110.49 - 118.35: 62539 118.35 - 126.22: 68537 126.22 - 134.09: 1801 Bond angle restraints: 162720 Sorted by residual: angle pdb=" O3A ACP B5101 " pdb=" PA ACP B5101 " pdb=" O5' ACP B5101 " ideal model delta sigma weight residual 93.75 110.88 -17.13 3.00e+00 1.11e-01 3.26e+01 angle pdb=" C HIS B4153 " pdb=" N VAL B4154 " pdb=" CA VAL B4154 " ideal model delta sigma weight residual 122.60 118.75 3.85 6.80e-01 2.16e+00 3.21e+01 angle pdb=" C HIS C4153 " pdb=" N VAL C4154 " pdb=" CA VAL C4154 " ideal model delta sigma weight residual 122.60 118.76 3.84 6.80e-01 2.16e+00 3.20e+01 angle pdb=" C HIS D4153 " pdb=" N VAL D4154 " pdb=" CA VAL D4154 " ideal model delta sigma weight residual 122.60 118.76 3.84 6.80e-01 2.16e+00 3.20e+01 angle pdb=" C HIS A4153 " pdb=" N VAL A4154 " pdb=" CA VAL A4154 " ideal model delta sigma weight residual 122.60 118.76 3.84 6.80e-01 2.16e+00 3.19e+01 ... (remaining 162715 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 21.78: 65333 21.78 - 43.56: 5083 43.56 - 65.35: 685 65.35 - 87.13: 195 87.13 - 108.91: 24 Dihedral angle restraints: 71320 sinusoidal: 23120 harmonic: 48200 Sorted by residual: dihedral pdb=" CA ILE A 759 " pdb=" C ILE A 759 " pdb=" N ASN A 760 " pdb=" CA ASN A 760 " ideal model delta harmonic sigma weight residual 180.00 154.58 25.42 0 5.00e+00 4.00e-02 2.59e+01 dihedral pdb=" CA ILE B 759 " pdb=" C ILE B 759 " pdb=" N ASN B 760 " pdb=" CA ASN B 760 " ideal model delta harmonic sigma weight residual 180.00 154.58 25.42 0 5.00e+00 4.00e-02 2.59e+01 dihedral pdb=" CA ILE D 759 " pdb=" C ILE D 759 " pdb=" N ASN D 760 " pdb=" CA ASN D 760 " ideal model delta harmonic sigma weight residual 180.00 154.59 25.41 0 5.00e+00 4.00e-02 2.58e+01 ... (remaining 71317 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.084: 17847 0.084 - 0.168: 1149 0.168 - 0.252: 28 0.252 - 0.336: 12 0.336 - 0.420: 4 Chirality restraints: 19040 Sorted by residual: chirality pdb=" C2' ACP A5101 " pdb=" C1' ACP A5101 " pdb=" C3' ACP A5101 " pdb=" O2' ACP A5101 " both_signs ideal model delta sigma weight residual False -2.75 -2.33 -0.42 2.00e-01 2.50e+01 4.42e+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 -2.37 -0.38 2.00e-01 2.50e+01 3.69e+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 -2.38 -0.37 2.00e-01 2.50e+01 3.48e+00 ... (remaining 19037 not shown) Planarity restraints: 21416 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C MET B1573 " 0.072 5.00e-02 4.00e+02 1.08e-01 1.88e+01 pdb=" N PRO B1574 " -0.187 5.00e-02 4.00e+02 pdb=" CA PRO B1574 " 0.056 5.00e-02 4.00e+02 pdb=" CD PRO B1574 " 0.059 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C MET C1573 " 0.072 5.00e-02 4.00e+02 1.08e-01 1.88e+01 pdb=" N PRO C1574 " -0.187 5.00e-02 4.00e+02 pdb=" CA PRO C1574 " 0.056 5.00e-02 4.00e+02 pdb=" CD PRO C1574 " 0.059 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C MET A1573 " -0.072 5.00e-02 4.00e+02 1.08e-01 1.87e+01 pdb=" N PRO A1574 " 0.187 5.00e-02 4.00e+02 pdb=" CA PRO A1574 " -0.056 5.00e-02 4.00e+02 pdb=" CD PRO A1574 " -0.059 5.00e-02 4.00e+02 ... (remaining 21413 not shown) Histogram of nonbonded interaction distances: 2.21 - 2.75: 10274 2.75 - 3.29: 115960 3.29 - 3.82: 184550 3.82 - 4.36: 192214 4.36 - 4.90: 340222 Nonbonded interactions: 843220 Sorted by model distance: nonbonded pdb=" NH1 ARG B4736 " pdb=" OD2 ASP C4079 " model vdw 2.210 2.520 nonbonded pdb=" OD1 ASP B4938 " pdb=" NH1 ARG C4944 " model vdw 2.214 2.520 nonbonded pdb=" O GLN D 56 " pdb=" OG1 THR D 309 " model vdw 2.236 2.440 nonbonded pdb=" O GLN C 56 " pdb=" OG1 THR C 309 " model vdw 2.237 2.440 nonbonded pdb=" O GLN A 56 " pdb=" OG1 THR A 309 " model vdw 2.237 2.440 ... (remaining 843215 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: 2.680 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: 0.060 Extract box with map and model: 19.200 Check model and map are aligned: 1.250 Set scattering table: 0.740 Process input model: 261.640 Find NCS groups from input model: 5.920 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: 0.020 Load rotamer database and sin/cos tables:2.390 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 294.480 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7647 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.235 119312 Z= 0.276 Angle : 0.866 17.133 162720 Z= 0.435 Chirality : 0.042 0.420 19040 Planarity : 0.005 0.108 21416 Dihedral : 15.977 108.909 39948 Min Nonbonded Distance : 2.210 Molprobity Statistics. All-atom Clashscore : 4.97 Ramachandran Plot: Outliers : 0.12 % Allowed : 5.73 % Favored : 94.14 % Rotamer: Outliers : 0.46 % Allowed : 14.29 % Favored : 85.26 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.20 (0.07), residues: 12808 helix: 1.24 (0.07), residues: 5932 sheet: -0.28 (0.15), residues: 1180 loop : -1.62 (0.08), residues: 5696 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.036 0.002 TRP C3661 HIS 0.025 0.001 HIS D 218 PHE 0.057 0.002 PHE B4575 TYR 0.049 0.002 TYR A 920 ARG 0.015 0.001 ARG A4563 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1185 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 46 poor density : 1139 time to evaluate : 7.773 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: A 619 ASP cc_start: 0.7168 (p0) cc_final: 0.6860 (p0) REVERT: A 624 ASN cc_start: 0.6809 (m-40) cc_final: 0.6438 (m110) REVERT: A 2874 MET cc_start: 0.6581 (mmm) cc_final: 0.5656 (pmm) REVERT: A 2882 TYR cc_start: 0.4968 (t80) cc_final: 0.4752 (t80) REVERT: A 3667 HIS cc_start: 0.7610 (m90) cc_final: 0.7099 (m90) REVERT: A 3893 GLU cc_start: 0.7814 (tp30) cc_final: 0.7450 (tp30) REVERT: A 3955 MET cc_start: 0.8228 (mtm) cc_final: 0.7662 (mpp) REVERT: A 4556 SER cc_start: 0.8174 (t) cc_final: 0.7775 (p) REVERT: A 4741 LEU cc_start: 0.9192 (mt) cc_final: 0.8670 (mt) REVERT: A 4883 TYR cc_start: 0.7283 (t80) cc_final: 0.6509 (t80) REVERT: B 619 ASP cc_start: 0.7128 (p0) cc_final: 0.6844 (p0) REVERT: B 624 ASN cc_start: 0.6806 (m-40) cc_final: 0.6461 (m110) REVERT: B 2874 MET cc_start: 0.6555 (mmm) cc_final: 0.5576 (pmm) REVERT: B 2882 TYR cc_start: 0.4998 (t80) cc_final: 0.4787 (t80) REVERT: B 3667 HIS cc_start: 0.7611 (m90) cc_final: 0.7170 (m90) REVERT: B 3893 GLU cc_start: 0.7740 (tp30) cc_final: 0.7416 (tp30) REVERT: B 3955 MET cc_start: 0.8296 (mtm) cc_final: 0.7759 (mpp) REVERT: B 4556 SER cc_start: 0.8279 (t) cc_final: 0.7794 (p) REVERT: B 4741 LEU cc_start: 0.9183 (mt) cc_final: 0.8530 (mt) REVERT: B 4865 LYS cc_start: 0.8322 (tptp) cc_final: 0.8058 (ttpt) REVERT: B 4883 TYR cc_start: 0.7008 (t80) cc_final: 0.6532 (t80) REVERT: C 619 ASP cc_start: 0.7180 (p0) cc_final: 0.6873 (p0) REVERT: C 624 ASN cc_start: 0.6745 (m-40) cc_final: 0.6395 (m110) REVERT: C 2874 MET cc_start: 0.6541 (mmm) cc_final: 0.5604 (pmm) REVERT: C 2882 TYR cc_start: 0.5005 (t80) cc_final: 0.4794 (t80) REVERT: C 3667 HIS cc_start: 0.7637 (m90) cc_final: 0.7149 (m90) REVERT: C 3955 MET cc_start: 0.8284 (mtm) cc_final: 0.7743 (mpp) REVERT: C 4556 SER cc_start: 0.8235 (t) cc_final: 0.7793 (p) REVERT: C 4741 LEU cc_start: 0.9165 (mt) cc_final: 0.8660 (mt) REVERT: C 4883 TYR cc_start: 0.7335 (t80) cc_final: 0.6529 (t80) REVERT: D 619 ASP cc_start: 0.7131 (p0) cc_final: 0.6845 (p0) REVERT: D 624 ASN cc_start: 0.6787 (m-40) cc_final: 0.6461 (m110) REVERT: D 2874 MET cc_start: 0.6526 (mmm) cc_final: 0.5596 (pmm) REVERT: D 2882 TYR cc_start: 0.4999 (t80) cc_final: 0.4787 (t80) REVERT: D 3955 MET cc_start: 0.8253 (mtm) cc_final: 0.7678 (mpp) REVERT: D 4057 MET cc_start: 0.7737 (ttm) cc_final: 0.7470 (ttm) REVERT: D 4556 SER cc_start: 0.8174 (t) cc_final: 0.7773 (p) REVERT: D 4741 LEU cc_start: 0.9191 (mt) cc_final: 0.8644 (mt) REVERT: D 4883 TYR cc_start: 0.7293 (t80) cc_final: 0.6532 (t80) outliers start: 46 outliers final: 19 residues processed: 1173 average time/residue: 0.8779 time to fit residues: 1864.2453 Evaluate side-chains 914 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 19 poor density : 895 time to evaluate : 8.695 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 3781 GLN Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 4191 GLU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain C residue 3781 GLN Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain D residue 379 HIS Chi-restraints excluded: chain D residue 3781 GLN Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4859 PHE Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 7.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 98 HIS ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 705 ASN A 725 HIS ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 911 HIS A1041 GLN ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1206 GLN A1254 HIS ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1693 GLN ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2245 GLN A2247 GLN A2349 ASN A2756 ASN ** A2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3699 HIS A3700 GLN A3761 GLN ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3976 ASN A3994 HIS A4043 GLN A4120 ASN A4204 GLN ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4805 ASN A4832 HIS A4949 GLN A4984 ASN A5015 GLN B 56 GLN B 98 HIS ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 597 HIS ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 705 ASN B 725 HIS ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 911 HIS B1041 GLN ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1206 GLN B1254 HIS ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1693 GLN ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2245 GLN B2247 GLN B2349 ASN B2756 ASN ** B2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3699 HIS ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3976 ASN B3994 HIS B4043 GLN B4120 ASN B4204 GLN ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4805 ASN B4832 HIS B4949 GLN B4973 HIS B4984 ASN B5015 GLN C 98 HIS ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 597 HIS C 617 ASN ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 705 ASN C 725 HIS ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 911 HIS ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1041 GLN ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1206 GLN C1254 HIS C1274 HIS ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1693 GLN ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2245 GLN C2247 GLN C2349 ASN C2756 ASN ** C2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3699 HIS C3700 GLN C3761 GLN ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3976 ASN C3994 HIS C4043 GLN C4120 ASN ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4805 ASN C4832 HIS C4949 GLN C4984 ASN C5003 HIS C5015 GLN D 98 HIS ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 597 HIS ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 705 ASN D 725 HIS ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 911 HIS D1041 GLN ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1206 GLN D1254 HIS ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1693 GLN ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2245 GLN D2247 GLN D2349 ASN D2756 ASN ** D2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3699 HIS D3700 GLN D3761 GLN ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3976 ASN D3994 HIS D4043 GLN D4120 ASN ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4805 ASN D4832 HIS D4949 GLN D4984 ASN D5015 GLN Total number of N/Q/H flips: 104 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8486 moved from start: 0.6950 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.344 119312 Z= 3.391 Angle : 3.156 37.509 162720 Z= 1.585 Chirality : 0.143 0.696 19040 Planarity : 0.020 0.250 21416 Dihedral : 12.151 113.061 17654 Min Nonbonded Distance : 1.374 Molprobity Statistics. All-atom Clashscore : 79.14 Ramachandran Plot: Outliers : 2.57 % Allowed : 18.07 % Favored : 79.36 % Rotamer: Outliers : 16.19 % Allowed : 23.10 % Favored : 60.71 % Cbeta Deviations : 0.49 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 3.29 % Twisted General : 1.35 % 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: -5.66 (0.05), residues: 12808 helix: -3.49 (0.05), residues: 5996 sheet: -2.80 (0.14), residues: 1240 loop : -4.25 (0.06), residues: 5572 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.073 0.011 TRP B5011 HIS 0.031 0.008 HIS A 255 PHE 0.098 0.012 PHE D4940 TYR 0.083 0.011 TYR C 506 ARG 0.038 0.003 ARG A 110 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2245 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1627 poor density : 618 time to evaluate : 8.751 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: A 114 SER cc_start: 0.9596 (OUTLIER) cc_final: 0.8984 (p) REVERT: A 202 MET cc_start: 0.8418 (tpp) cc_final: 0.8166 (tpp) REVERT: A 211 GLU cc_start: 0.7987 (mm-30) cc_final: 0.7768 (mm-30) REVERT: A 384 MET cc_start: 0.8689 (pmm) cc_final: 0.8478 (pmm) REVERT: A 510 GLU cc_start: 0.8701 (OUTLIER) cc_final: 0.8438 (pm20) REVERT: A 575 LEU cc_start: 0.9452 (OUTLIER) cc_final: 0.9195 (mt) REVERT: A 813 GLU cc_start: 0.7361 (OUTLIER) cc_final: 0.6505 (tp30) REVERT: A 911 HIS cc_start: 0.8281 (OUTLIER) cc_final: 0.7820 (m-70) REVERT: A 941 MET cc_start: 0.5211 (OUTLIER) cc_final: 0.4613 (mmp) REVERT: A 1214 PHE cc_start: 0.7977 (OUTLIER) cc_final: 0.6901 (t80) REVERT: A 1854 PHE cc_start: 0.9377 (OUTLIER) cc_final: 0.8488 (m-80) REVERT: A 1958 LEU cc_start: 0.9491 (OUTLIER) cc_final: 0.9289 (tt) REVERT: A 2126 ARG cc_start: 0.9167 (OUTLIER) cc_final: 0.8765 (mtp85) REVERT: A 2169 GLN cc_start: 0.9223 (OUTLIER) cc_final: 0.8764 (tm-30) REVERT: A 2170 MET cc_start: 0.8585 (tpt) cc_final: 0.8005 (tpt) REVERT: A 2291 GLN cc_start: 0.8616 (OUTLIER) cc_final: 0.8264 (pp30) REVERT: A 2794 TYR cc_start: -0.4287 (OUTLIER) cc_final: -0.4629 (m-10) REVERT: A 2882 TYR cc_start: 0.5986 (t80) cc_final: 0.5655 (t80) REVERT: A 2888 ARG cc_start: 0.8518 (OUTLIER) cc_final: 0.8194 (ttp80) REVERT: A 2895 GLU cc_start: 0.7286 (OUTLIER) cc_final: 0.5657 (mp0) REVERT: A 3667 HIS cc_start: 0.8197 (m90) cc_final: 0.7979 (m90) REVERT: A 3734 HIS cc_start: 0.8197 (OUTLIER) cc_final: 0.7594 (t70) REVERT: A 3764 LEU cc_start: 0.9605 (OUTLIER) cc_final: 0.9240 (mp) REVERT: A 3767 GLN cc_start: 0.9339 (OUTLIER) cc_final: 0.8870 (mt0) REVERT: A 3789 GLU cc_start: 0.8140 (OUTLIER) cc_final: 0.7810 (tm-30) REVERT: A 4050 GLU cc_start: 0.8576 (OUTLIER) cc_final: 0.8209 (tm-30) REVERT: A 4114 CYS cc_start: 0.9085 (OUTLIER) cc_final: 0.8685 (t) REVERT: A 4196 GLU cc_start: 0.8202 (OUTLIER) cc_final: 0.7964 (tm-30) REVERT: A 4686 LEU cc_start: 0.8727 (OUTLIER) cc_final: 0.8269 (tt) REVERT: A 4806 ASN cc_start: 0.8117 (OUTLIER) cc_final: 0.7691 (p0) REVERT: A 4865 LYS cc_start: 0.7843 (ttpt) cc_final: 0.7525 (ttpt) REVERT: A 4973 HIS cc_start: 0.8272 (OUTLIER) cc_final: 0.7223 (m90) REVERT: A 4978 HIS cc_start: 0.7233 (OUTLIER) cc_final: 0.6982 (t70) REVERT: B 202 MET cc_start: 0.8446 (tpp) cc_final: 0.8199 (tpp) REVERT: B 211 GLU cc_start: 0.7942 (mm-30) cc_final: 0.7740 (mm-30) REVERT: B 384 MET cc_start: 0.8693 (pmm) cc_final: 0.8460 (pmm) REVERT: B 445 LEU cc_start: 0.9673 (OUTLIER) cc_final: 0.9445 (mm) REVERT: B 510 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.8426 (pm20) REVERT: B 813 GLU cc_start: 0.7339 (OUTLIER) cc_final: 0.6527 (tp30) REVERT: B 941 MET cc_start: 0.5308 (OUTLIER) cc_final: 0.4704 (mmp) REVERT: B 1214 PHE cc_start: 0.7990 (OUTLIER) cc_final: 0.7060 (t80) REVERT: B 1854 PHE cc_start: 0.9380 (OUTLIER) cc_final: 0.8480 (m-80) REVERT: B 2126 ARG cc_start: 0.9190 (OUTLIER) cc_final: 0.8732 (mtp85) REVERT: B 2169 GLN cc_start: 0.9228 (OUTLIER) cc_final: 0.8736 (tm-30) REVERT: B 2170 MET cc_start: 0.8566 (tpt) cc_final: 0.8316 (tpt) REVERT: B 2291 GLN cc_start: 0.8626 (OUTLIER) cc_final: 0.8268 (pp30) REVERT: B 2794 TYR cc_start: -0.4299 (OUTLIER) cc_final: -0.4600 (m-10) REVERT: B 2882 TYR cc_start: 0.5977 (t80) cc_final: 0.5537 (t80) REVERT: B 2895 GLU cc_start: 0.7316 (OUTLIER) cc_final: 0.5674 (mp0) REVERT: B 3667 HIS cc_start: 0.8204 (m90) cc_final: 0.7987 (m90) REVERT: B 3734 HIS cc_start: 0.8182 (OUTLIER) cc_final: 0.7651 (t70) REVERT: B 3764 LEU cc_start: 0.9631 (OUTLIER) cc_final: 0.9269 (mp) REVERT: B 3767 GLN cc_start: 0.9325 (OUTLIER) cc_final: 0.8851 (mt0) REVERT: B 3789 GLU cc_start: 0.8085 (OUTLIER) cc_final: 0.7672 (tm-30) REVERT: B 4001 MET cc_start: 0.8872 (mtp) cc_final: 0.8568 (mtp) REVERT: B 4050 GLU cc_start: 0.8546 (OUTLIER) cc_final: 0.8210 (tm-30) REVERT: B 4114 CYS cc_start: 0.9134 (OUTLIER) cc_final: 0.8694 (t) REVERT: B 4579 PHE cc_start: 0.7967 (OUTLIER) cc_final: 0.7731 (p90) REVERT: B 4806 ASN cc_start: 0.7988 (OUTLIER) cc_final: 0.7513 (p0) REVERT: B 4832 HIS cc_start: 0.8715 (OUTLIER) cc_final: 0.8486 (t-170) REVERT: B 4865 LYS cc_start: 0.8556 (OUTLIER) cc_final: 0.7849 (ttmt) REVERT: B 4973 HIS cc_start: 0.8193 (OUTLIER) cc_final: 0.6601 (m-70) REVERT: B 4978 HIS cc_start: 0.7644 (OUTLIER) cc_final: 0.7224 (t70) REVERT: C 114 SER cc_start: 0.9614 (OUTLIER) cc_final: 0.8999 (p) REVERT: C 202 MET cc_start: 0.8440 (tpp) cc_final: 0.8194 (tpp) REVERT: C 359 TYR cc_start: 0.9280 (OUTLIER) cc_final: 0.8992 (p90) REVERT: C 445 LEU cc_start: 0.9675 (OUTLIER) cc_final: 0.9454 (mm) REVERT: C 510 GLU cc_start: 0.8745 (OUTLIER) cc_final: 0.8472 (pm20) REVERT: C 575 LEU cc_start: 0.9475 (OUTLIER) cc_final: 0.9251 (mt) REVERT: C 813 GLU cc_start: 0.7295 (OUTLIER) cc_final: 0.6472 (tp30) REVERT: C 911 HIS cc_start: 0.8239 (OUTLIER) cc_final: 0.7957 (m-70) REVERT: C 941 MET cc_start: 0.4962 (OUTLIER) cc_final: 0.4343 (mmp) REVERT: C 1214 PHE cc_start: 0.8119 (OUTLIER) cc_final: 0.6974 (t80) REVERT: C 1274 HIS cc_start: 0.9439 (OUTLIER) cc_final: 0.9223 (t-170) REVERT: C 1854 PHE cc_start: 0.9384 (OUTLIER) cc_final: 0.8515 (m-80) REVERT: C 2126 ARG cc_start: 0.9197 (OUTLIER) cc_final: 0.8744 (mtp85) REVERT: C 2169 GLN cc_start: 0.9232 (OUTLIER) cc_final: 0.8799 (tm-30) REVERT: C 2170 MET cc_start: 0.8625 (tpt) cc_final: 0.8020 (tpt) REVERT: C 2291 GLN cc_start: 0.8626 (OUTLIER) cc_final: 0.8259 (pp30) REVERT: C 2882 TYR cc_start: 0.5835 (t80) cc_final: 0.5427 (t80) REVERT: C 2888 ARG cc_start: 0.8474 (OUTLIER) cc_final: 0.8151 (ttp80) REVERT: C 2895 GLU cc_start: 0.7254 (OUTLIER) cc_final: 0.5618 (mp0) REVERT: C 3667 HIS cc_start: 0.8190 (m90) cc_final: 0.7974 (m90) REVERT: C 3734 HIS cc_start: 0.8211 (OUTLIER) cc_final: 0.7621 (t70) REVERT: C 3764 LEU cc_start: 0.9608 (OUTLIER) cc_final: 0.9243 (mp) REVERT: C 3767 GLN cc_start: 0.9333 (OUTLIER) cc_final: 0.8861 (mt0) REVERT: C 3789 GLU cc_start: 0.8128 (OUTLIER) cc_final: 0.7742 (tm-30) REVERT: C 4001 MET cc_start: 0.8786 (mtp) cc_final: 0.8533 (mtp) REVERT: C 4050 GLU cc_start: 0.8557 (OUTLIER) cc_final: 0.8208 (tm-30) REVERT: C 4114 CYS cc_start: 0.9140 (OUTLIER) cc_final: 0.8694 (t) REVERT: C 4196 GLU cc_start: 0.8230 (OUTLIER) cc_final: 0.7989 (tm-30) REVERT: C 4686 LEU cc_start: 0.8733 (OUTLIER) cc_final: 0.8277 (tt) REVERT: C 4806 ASN cc_start: 0.8003 (OUTLIER) cc_final: 0.7538 (p0) REVERT: C 4865 LYS cc_start: 0.7811 (ttpt) cc_final: 0.7543 (ttpt) REVERT: C 4877 ASP cc_start: 0.8031 (OUTLIER) cc_final: 0.7456 (m-30) REVERT: C 4940 PHE cc_start: 0.9102 (OUTLIER) cc_final: 0.8891 (t80) REVERT: C 4973 HIS cc_start: 0.8255 (OUTLIER) cc_final: 0.7232 (m90) REVERT: D 114 SER cc_start: 0.9591 (OUTLIER) cc_final: 0.8990 (p) REVERT: D 202 MET cc_start: 0.8407 (tpp) cc_final: 0.8151 (tpp) REVERT: D 211 GLU cc_start: 0.8006 (mm-30) cc_final: 0.7800 (mm-30) REVERT: D 445 LEU cc_start: 0.9681 (OUTLIER) cc_final: 0.9480 (mm) REVERT: D 510 GLU cc_start: 0.8684 (OUTLIER) cc_final: 0.8443 (pm20) REVERT: D 682 LEU cc_start: 0.9628 (OUTLIER) cc_final: 0.9409 (tt) REVERT: D 813 GLU cc_start: 0.7652 (OUTLIER) cc_final: 0.6810 (tp30) REVERT: D 911 HIS cc_start: 0.8331 (OUTLIER) cc_final: 0.7866 (m-70) REVERT: D 941 MET cc_start: 0.5303 (OUTLIER) cc_final: 0.4721 (mmp) REVERT: D 1167 GLU cc_start: 0.8264 (OUTLIER) cc_final: 0.8052 (pt0) REVERT: D 1214 PHE cc_start: 0.7985 (OUTLIER) cc_final: 0.6974 (t80) REVERT: D 1854 PHE cc_start: 0.9371 (OUTLIER) cc_final: 0.8470 (m-80) REVERT: D 1958 LEU cc_start: 0.9492 (OUTLIER) cc_final: 0.9274 (tt) REVERT: D 2104 ARG cc_start: 0.9024 (OUTLIER) cc_final: 0.8770 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8759 (mtp85) REVERT: D 2169 GLN cc_start: 0.9246 (OUTLIER) cc_final: 0.8783 (tm-30) REVERT: D 2170 MET cc_start: 0.8623 (tpt) cc_final: 0.8408 (tpt) REVERT: D 2291 GLN cc_start: 0.8592 (OUTLIER) cc_final: 0.8248 (pp30) REVERT: D 2882 TYR cc_start: 0.6004 (t80) cc_final: 0.5679 (t80) REVERT: D 2895 GLU cc_start: 0.7272 (OUTLIER) cc_final: 0.5626 (mp0) REVERT: D 3667 HIS cc_start: 0.8193 (m90) cc_final: 0.7984 (m90) REVERT: D 3734 HIS cc_start: 0.8196 (OUTLIER) cc_final: 0.7594 (t70) REVERT: D 3764 LEU cc_start: 0.9606 (OUTLIER) cc_final: 0.9219 (mp) REVERT: D 3767 GLN cc_start: 0.9341 (OUTLIER) cc_final: 0.8888 (mt0) REVERT: D 3789 GLU cc_start: 0.8150 (OUTLIER) cc_final: 0.7809 (tm-30) REVERT: D 4050 GLU cc_start: 0.8566 (OUTLIER) cc_final: 0.8206 (tm-30) REVERT: D 4114 CYS cc_start: 0.9077 (OUTLIER) cc_final: 0.8695 (t) REVERT: D 4196 GLU cc_start: 0.8207 (OUTLIER) cc_final: 0.7955 (tm-30) REVERT: D 4215 ARG cc_start: 0.8084 (tpt170) cc_final: 0.7791 (mmt180) REVERT: D 4686 LEU cc_start: 0.8718 (OUTLIER) cc_final: 0.8266 (tt) REVERT: D 4806 ASN cc_start: 0.8077 (OUTLIER) cc_final: 0.7636 (p0) REVERT: D 4973 HIS cc_start: 0.8276 (OUTLIER) cc_final: 0.7202 (m90) REVERT: D 4978 HIS cc_start: 0.8151 (OUTLIER) cc_final: 0.7919 (t70) outliers start: 1627 outliers final: 1042 residues processed: 2113 average time/residue: 0.9000 time to fit residues: 3474.2731 Evaluate side-chains 1711 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1146 poor density : 565 time to evaluate : 8.771 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 139 GLU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 207 SER 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 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 316 PHE Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 385 ASP Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 548 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 911 HIS Chi-restraints excluded: chain A residue 938 HIS Chi-restraints excluded: chain A residue 941 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1100 MET Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1657 LEU 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1747 LEU Chi-restraints excluded: chain A residue 1767 VAL 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 1848 LEU Chi-restraints excluded: chain A residue 1854 PHE Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2755 ILE Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2916 LYS Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3673 MET Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3781 GLN 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 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3841 VAL Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3898 ASP Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4050 GLU Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4080 TYR Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4085 ARG Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4923 PHE Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4926 VAL Chi-restraints excluded: chain A residue 4931 ILE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 65 CYS Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 139 GLU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 207 SER 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 233 ILE Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 316 PHE Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 385 ASP Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 548 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 941 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1100 MET Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1657 LEU 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1747 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1854 PHE Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2176 ASN Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2750 LYS Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2794 TYR Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2916 LYS Chi-restraints excluded: chain B residue 2937 VAL Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3898 ASP Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4050 GLU Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4080 TYR Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4085 ARG Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4197 ILE 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 4218 ILE Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4583 SER Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4801 LEU Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4805 ASN Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4865 LYS Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4923 PHE Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4926 VAL Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 207 SER 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 233 ILE Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 316 PHE Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 385 ASP Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 548 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 626 LEU Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 813 GLU Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 911 HIS Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 941 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1274 HIS Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1657 LEU 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1747 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1854 PHE Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2750 LYS Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3781 GLN 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 3809 ASN Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3898 ASP Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4050 GLU Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4085 ARG Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4832 HIS Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4923 PHE Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4926 VAL Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4940 PHE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 129 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 139 GLU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 285 VAL Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 316 PHE Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 385 ASP Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 938 HIS Chi-restraints excluded: chain D residue 941 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 1031 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1100 MET Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1657 LEU 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1747 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1854 PHE Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2176 ASN Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2895 GLU 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 2938 THR Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3781 GLN 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 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3898 ASP Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4050 GLU Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4080 TYR Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4085 ARG Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4923 PHE Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4926 VAL Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 5004 THR 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 56 GLN ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 201 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 380 GLN ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 647 ASN A 735 GLN ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 911 HIS ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2100 HIS ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4973 HIS ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 201 ASN ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 647 ASN B 735 GLN ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 911 HIS ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1691 GLN ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2100 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 56 GLN ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 380 GLN ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 647 ASN C 735 GLN ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 911 HIS ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1691 GLN ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2100 HIS ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4973 HIS D 56 GLN ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 201 ASN ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN D 735 GLN ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 911 HIS ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1691 GLN ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2100 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4973 HIS D5003 HIS Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8532 moved from start: 0.8382 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.358 119312 Z= 3.285 Angle : 3.104 34.304 162720 Z= 1.547 Chirality : 0.139 0.649 19040 Planarity : 0.019 0.246 21416 Dihedral : 13.377 136.243 17649 Min Nonbonded Distance : 1.362 Molprobity Statistics. All-atom Clashscore : 91.14 Ramachandran Plot: Outliers : 2.82 % Allowed : 28.96 % Favored : 68.22 % Rotamer: Outliers : 23.95 % Allowed : 23.50 % Favored : 52.56 % Cbeta Deviations : 0.36 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.74 % Twisted General : 2.27 % 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: -6.86 (0.05), residues: 12808 helix: -4.31 (0.04), residues: 5916 sheet: -3.83 (0.13), residues: 1152 loop : -4.99 (0.06), residues: 5740 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.082 0.009 TRP D4205 HIS 0.042 0.007 HIS D 379 PHE 0.105 0.011 PHE B4195 TYR 0.085 0.010 TYR C4173 ARG 0.043 0.003 ARG C 758 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2967 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2407 poor density : 560 time to evaluate : 9.125 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: A 14 LEU cc_start: 0.7782 (OUTLIER) cc_final: 0.7545 (mt) REVERT: A 15 ARG cc_start: 0.7862 (OUTLIER) cc_final: 0.7527 (ptm160) REVERT: A 23 GLN cc_start: 0.8277 (OUTLIER) cc_final: 0.8004 (mt0) REVERT: A 114 SER cc_start: 0.9567 (OUTLIER) cc_final: 0.8945 (p) REVERT: A 137 LEU cc_start: 0.9310 (OUTLIER) cc_final: 0.9076 (mp) REVERT: A 202 MET cc_start: 0.8423 (tpp) cc_final: 0.8177 (tpp) REVERT: A 372 LEU cc_start: 0.8233 (OUTLIER) cc_final: 0.7983 (mm) REVERT: A 384 MET cc_start: 0.8640 (pmm) cc_final: 0.8413 (pmm) REVERT: A 421 PHE cc_start: 0.8236 (OUTLIER) cc_final: 0.6595 (p90) REVERT: A 443 LEU cc_start: 0.9058 (OUTLIER) cc_final: 0.8777 (tt) REVERT: A 462 GLU cc_start: 0.8514 (OUTLIER) cc_final: 0.7919 (pm20) REVERT: A 469 ARG cc_start: 0.8981 (OUTLIER) cc_final: 0.8777 (ttm-80) REVERT: A 483 MET cc_start: 0.8713 (tpp) cc_final: 0.8498 (tpp) REVERT: A 534 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.7784 (tpt-90) REVERT: A 910 PHE cc_start: 0.4204 (OUTLIER) cc_final: 0.3785 (m-10) REVERT: A 976 ARG cc_start: 0.3849 (OUTLIER) cc_final: 0.3559 (ttp80) REVERT: A 1221 GLU cc_start: 0.9179 (OUTLIER) cc_final: 0.8972 (tp30) REVERT: A 1733 GLU cc_start: 0.8432 (OUTLIER) cc_final: 0.7949 (mm-30) REVERT: A 1854 PHE cc_start: 0.9458 (OUTLIER) cc_final: 0.8664 (m-80) REVERT: A 1973 GLN cc_start: 0.9239 (OUTLIER) cc_final: 0.8497 (tm-30) REVERT: A 2126 ARG cc_start: 0.9161 (OUTLIER) cc_final: 0.8705 (mtp85) REVERT: A 2754 PHE cc_start: -0.5208 (OUTLIER) cc_final: -0.6037 (m-10) REVERT: A 2807 TRP cc_start: 0.7407 (OUTLIER) cc_final: 0.7177 (p90) REVERT: A 2869 ARG cc_start: 0.6735 (OUTLIER) cc_final: 0.6514 (tpm170) REVERT: A 2938 THR cc_start: 0.4171 (OUTLIER) cc_final: 0.3879 (p) REVERT: A 3643 ASN cc_start: 0.9359 (OUTLIER) cc_final: 0.9000 (p0) REVERT: A 3658 LYS cc_start: 0.6386 (OUTLIER) cc_final: 0.5551 (mmtm) REVERT: A 3734 HIS cc_start: 0.8386 (OUTLIER) cc_final: 0.7758 (t70) REVERT: A 3764 LEU cc_start: 0.9616 (OUTLIER) cc_final: 0.9249 (mp) REVERT: A 3767 GLN cc_start: 0.9207 (OUTLIER) cc_final: 0.8711 (mt0) REVERT: A 3789 GLU cc_start: 0.8079 (OUTLIER) cc_final: 0.7713 (tm-30) REVERT: A 3959 LYS cc_start: 0.9565 (OUTLIER) cc_final: 0.9315 (ttmt) REVERT: A 4032 GLU cc_start: 0.8851 (OUTLIER) cc_final: 0.8554 (tm-30) REVERT: A 4069 LYS cc_start: 0.9403 (OUTLIER) cc_final: 0.8983 (tptt) REVERT: A 4114 CYS cc_start: 0.9047 (OUTLIER) cc_final: 0.8737 (t) REVERT: A 4196 GLU cc_start: 0.8431 (OUTLIER) cc_final: 0.8127 (tm-30) REVERT: A 4679 ARG cc_start: 0.9306 (OUTLIER) cc_final: 0.9037 (mtt-85) REVERT: A 4743 MET cc_start: 0.8709 (mpp) cc_final: 0.8267 (mpp) REVERT: A 4806 ASN cc_start: 0.8120 (OUTLIER) cc_final: 0.7901 (p0) REVERT: A 4897 ILE cc_start: 0.8369 (OUTLIER) cc_final: 0.8097 (tp) REVERT: A 4978 HIS cc_start: 0.7390 (OUTLIER) cc_final: 0.6806 (t-170) REVERT: A 5026 ASP cc_start: 0.9134 (OUTLIER) cc_final: 0.8754 (m-30) REVERT: B 14 LEU cc_start: 0.7800 (OUTLIER) cc_final: 0.7579 (mt) REVERT: B 15 ARG cc_start: 0.7617 (OUTLIER) cc_final: 0.7283 (ptm160) REVERT: B 137 LEU cc_start: 0.9298 (OUTLIER) cc_final: 0.9036 (mp) REVERT: B 202 MET cc_start: 0.8451 (tpp) cc_final: 0.8225 (tpp) REVERT: B 384 MET cc_start: 0.8691 (pmm) cc_final: 0.8472 (pmm) REVERT: B 421 PHE cc_start: 0.8377 (OUTLIER) cc_final: 0.6738 (p90) REVERT: B 443 LEU cc_start: 0.9034 (OUTLIER) cc_final: 0.8749 (tt) REVERT: B 445 LEU cc_start: 0.9668 (OUTLIER) cc_final: 0.9447 (mm) REVERT: B 462 GLU cc_start: 0.8526 (OUTLIER) cc_final: 0.7929 (pm20) REVERT: B 469 ARG cc_start: 0.8962 (OUTLIER) cc_final: 0.8761 (ttm-80) REVERT: B 483 MET cc_start: 0.8782 (tpp) cc_final: 0.8526 (tpp) REVERT: B 534 ARG cc_start: 0.8849 (OUTLIER) cc_final: 0.7956 (tpt-90) REVERT: B 910 PHE cc_start: 0.4110 (OUTLIER) cc_final: 0.3812 (m-10) REVERT: B 911 HIS cc_start: 0.8023 (m90) cc_final: 0.6644 (t-170) REVERT: B 924 MET cc_start: 0.8439 (mpp) cc_final: 0.8115 (mpp) REVERT: B 976 ARG cc_start: 0.4047 (OUTLIER) cc_final: 0.3765 (ttp80) REVERT: B 1221 GLU cc_start: 0.8912 (OUTLIER) cc_final: 0.8687 (tp30) REVERT: B 1854 PHE cc_start: 0.9463 (OUTLIER) cc_final: 0.8669 (m-80) REVERT: B 1973 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.8477 (tm-30) REVERT: B 2126 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8705 (mtp85) REVERT: B 2754 PHE cc_start: -0.5158 (OUTLIER) cc_final: -0.5972 (m-10) REVERT: B 2787 THR cc_start: 0.3602 (OUTLIER) cc_final: 0.3291 (p) REVERT: B 2869 ARG cc_start: 0.6746 (OUTLIER) cc_final: 0.6540 (tpm170) REVERT: B 2938 THR cc_start: 0.3941 (OUTLIER) cc_final: 0.3667 (p) REVERT: B 3643 ASN cc_start: 0.9365 (OUTLIER) cc_final: 0.8994 (p0) REVERT: B 3658 LYS cc_start: 0.6360 (OUTLIER) cc_final: 0.5540 (mmtm) REVERT: B 3734 HIS cc_start: 0.8387 (OUTLIER) cc_final: 0.7751 (t70) REVERT: B 3764 LEU cc_start: 0.9602 (OUTLIER) cc_final: 0.9244 (mp) REVERT: B 3767 GLN cc_start: 0.9199 (OUTLIER) cc_final: 0.8671 (mt0) REVERT: B 3789 GLU cc_start: 0.8027 (OUTLIER) cc_final: 0.7654 (tm-30) REVERT: B 3959 LYS cc_start: 0.9574 (OUTLIER) cc_final: 0.9295 (ttmt) REVERT: B 4032 GLU cc_start: 0.8907 (OUTLIER) cc_final: 0.8675 (tm-30) REVERT: B 4069 LYS cc_start: 0.9401 (OUTLIER) cc_final: 0.8973 (tptt) REVERT: B 4114 CYS cc_start: 0.9107 (OUTLIER) cc_final: 0.8810 (t) REVERT: B 4679 ARG cc_start: 0.9290 (OUTLIER) cc_final: 0.9027 (mtt-85) REVERT: B 4743 MET cc_start: 0.8712 (mpp) cc_final: 0.8292 (mpp) REVERT: B 4806 ASN cc_start: 0.8247 (OUTLIER) cc_final: 0.8032 (p0) REVERT: B 4897 ILE cc_start: 0.8386 (OUTLIER) cc_final: 0.8117 (tp) REVERT: B 4973 HIS cc_start: 0.8288 (OUTLIER) cc_final: 0.7208 (m90) REVERT: B 4978 HIS cc_start: 0.7675 (OUTLIER) cc_final: 0.7037 (t70) REVERT: C 14 LEU cc_start: 0.7803 (OUTLIER) cc_final: 0.7553 (mt) REVERT: C 15 ARG cc_start: 0.7830 (OUTLIER) cc_final: 0.7515 (ptm160) REVERT: C 23 GLN cc_start: 0.8309 (OUTLIER) cc_final: 0.8040 (mt0) REVERT: C 114 SER cc_start: 0.9561 (OUTLIER) cc_final: 0.8920 (p) REVERT: C 137 LEU cc_start: 0.9277 (OUTLIER) cc_final: 0.9043 (mp) REVERT: C 202 MET cc_start: 0.8444 (tpp) cc_final: 0.8178 (tpp) REVERT: C 421 PHE cc_start: 0.8386 (OUTLIER) cc_final: 0.6683 (p90) REVERT: C 443 LEU cc_start: 0.9028 (OUTLIER) cc_final: 0.8727 (tt) REVERT: C 445 LEU cc_start: 0.9666 (OUTLIER) cc_final: 0.9447 (mm) REVERT: C 462 GLU cc_start: 0.8526 (OUTLIER) cc_final: 0.7933 (pm20) REVERT: C 469 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8744 (ttm-80) REVERT: C 534 ARG cc_start: 0.8718 (OUTLIER) cc_final: 0.7778 (tpt-90) REVERT: C 689 THR cc_start: 0.9301 (OUTLIER) cc_final: 0.9059 (m) REVERT: C 976 ARG cc_start: 0.4019 (OUTLIER) cc_final: 0.3706 (ttp80) REVERT: C 1221 GLU cc_start: 0.9157 (OUTLIER) cc_final: 0.8942 (tp30) REVERT: C 1230 MET cc_start: 0.8527 (OUTLIER) cc_final: 0.7969 (mmt) REVERT: C 1581 LEU cc_start: 0.8191 (OUTLIER) cc_final: 0.7951 (tt) REVERT: C 1661 ARG cc_start: 0.8969 (OUTLIER) cc_final: 0.8763 (ttm-80) REVERT: C 1733 GLU cc_start: 0.8419 (OUTLIER) cc_final: 0.7973 (mm-30) REVERT: C 1854 PHE cc_start: 0.9442 (OUTLIER) cc_final: 0.8619 (m-80) REVERT: C 1973 GLN cc_start: 0.9236 (OUTLIER) cc_final: 0.8479 (tm-30) REVERT: C 2126 ARG cc_start: 0.9161 (OUTLIER) cc_final: 0.8703 (mtp85) REVERT: C 2754 PHE cc_start: -0.5156 (OUTLIER) cc_final: -0.5941 (m-10) REVERT: C 2787 THR cc_start: 0.3930 (OUTLIER) cc_final: 0.3635 (p) REVERT: C 2807 TRP cc_start: 0.7375 (OUTLIER) cc_final: 0.7167 (p90) REVERT: C 2869 ARG cc_start: 0.6766 (OUTLIER) cc_final: 0.6276 (tpm170) REVERT: C 2938 THR cc_start: 0.3870 (OUTLIER) cc_final: 0.3580 (p) REVERT: C 3643 ASN cc_start: 0.9364 (OUTLIER) cc_final: 0.8994 (p0) REVERT: C 3658 LYS cc_start: 0.6362 (OUTLIER) cc_final: 0.5536 (mmtm) REVERT: C 3734 HIS cc_start: 0.8388 (OUTLIER) cc_final: 0.7755 (t70) REVERT: C 3764 LEU cc_start: 0.9626 (OUTLIER) cc_final: 0.9284 (mp) REVERT: C 3767 GLN cc_start: 0.9213 (OUTLIER) cc_final: 0.8654 (mt0) REVERT: C 3789 GLU cc_start: 0.8038 (OUTLIER) cc_final: 0.7700 (tm-30) REVERT: C 3959 LYS cc_start: 0.9579 (OUTLIER) cc_final: 0.9317 (ttmt) REVERT: C 4069 LYS cc_start: 0.9400 (OUTLIER) cc_final: 0.8969 (tptt) REVERT: C 4114 CYS cc_start: 0.9062 (OUTLIER) cc_final: 0.8780 (t) REVERT: C 4196 GLU cc_start: 0.8429 (OUTLIER) cc_final: 0.8135 (tm-30) REVERT: C 4207 MET cc_start: 0.9089 (mmm) cc_final: 0.8866 (mmm) REVERT: C 4679 ARG cc_start: 0.9312 (OUTLIER) cc_final: 0.9010 (mtt-85) REVERT: C 4743 MET cc_start: 0.8710 (mpp) cc_final: 0.8265 (mpp) REVERT: C 4796 MET cc_start: 0.8340 (OUTLIER) cc_final: 0.8024 (tpt) REVERT: C 4806 ASN cc_start: 0.8023 (OUTLIER) cc_final: 0.7764 (p0) REVERT: C 4839 MET cc_start: 0.9442 (tpp) cc_final: 0.9240 (mmp) REVERT: C 4879 MET cc_start: 0.9086 (pmm) cc_final: 0.8795 (pmm) REVERT: C 4897 ILE cc_start: 0.8418 (OUTLIER) cc_final: 0.8102 (tp) REVERT: C 4940 PHE cc_start: 0.9156 (OUTLIER) cc_final: 0.8951 (t80) REVERT: C 4978 HIS cc_start: 0.7821 (OUTLIER) cc_final: 0.7143 (t-170) REVERT: D 14 LEU cc_start: 0.7792 (OUTLIER) cc_final: 0.7535 (mt) REVERT: D 15 ARG cc_start: 0.7817 (OUTLIER) cc_final: 0.7465 (ptm160) REVERT: D 23 GLN cc_start: 0.8264 (OUTLIER) cc_final: 0.8002 (mt0) REVERT: D 137 LEU cc_start: 0.9318 (OUTLIER) cc_final: 0.9057 (mp) REVERT: D 202 MET cc_start: 0.8404 (tpp) cc_final: 0.8154 (tpp) REVERT: D 421 PHE cc_start: 0.8216 (OUTLIER) cc_final: 0.6604 (p90) REVERT: D 443 LEU cc_start: 0.9050 (OUTLIER) cc_final: 0.8768 (tt) REVERT: D 462 GLU cc_start: 0.8499 (OUTLIER) cc_final: 0.7911 (pm20) REVERT: D 469 ARG cc_start: 0.8953 (OUTLIER) cc_final: 0.8699 (ttm-80) REVERT: D 483 MET cc_start: 0.8749 (tpp) cc_final: 0.8514 (tpp) REVERT: D 534 ARG cc_start: 0.8853 (OUTLIER) cc_final: 0.7977 (tpt-90) REVERT: D 674 PHE cc_start: 0.9414 (OUTLIER) cc_final: 0.9178 (t80) REVERT: D 689 THR cc_start: 0.9146 (OUTLIER) cc_final: 0.8921 (m) REVERT: D 813 GLU cc_start: 0.7088 (OUTLIER) cc_final: 0.6226 (tp30) REVERT: D 910 PHE cc_start: 0.4365 (OUTLIER) cc_final: 0.4011 (m-10) REVERT: D 911 HIS cc_start: 0.8145 (m90) cc_final: 0.6885 (t-170) REVERT: D 976 ARG cc_start: 0.3965 (OUTLIER) cc_final: 0.3717 (ttp80) REVERT: D 1202 LEU cc_start: 0.9784 (OUTLIER) cc_final: 0.9423 (tp) REVERT: D 1221 GLU cc_start: 0.9140 (OUTLIER) cc_final: 0.8915 (tp30) REVERT: D 1661 ARG cc_start: 0.8961 (OUTLIER) cc_final: 0.8753 (ttm-80) REVERT: D 1854 PHE cc_start: 0.9417 (OUTLIER) cc_final: 0.8652 (m-80) REVERT: D 1958 LEU cc_start: 0.9523 (OUTLIER) cc_final: 0.9310 (tt) REVERT: D 1973 GLN cc_start: 0.9225 (OUTLIER) cc_final: 0.8465 (tm-30) REVERT: D 2104 ARG cc_start: 0.8985 (OUTLIER) cc_final: 0.8752 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8708 (mtp85) REVERT: D 2754 PHE cc_start: -0.5069 (OUTLIER) cc_final: -0.5918 (m-10) REVERT: D 2869 ARG cc_start: 0.6773 (OUTLIER) cc_final: 0.6508 (tpm170) REVERT: D 2938 THR cc_start: 0.4283 (OUTLIER) cc_final: 0.4016 (p) REVERT: D 3643 ASN cc_start: 0.9353 (OUTLIER) cc_final: 0.8968 (p0) REVERT: D 3658 LYS cc_start: 0.6375 (OUTLIER) cc_final: 0.5554 (mmtm) REVERT: D 3714 SER cc_start: 0.9436 (OUTLIER) cc_final: 0.9225 (t) REVERT: D 3734 HIS cc_start: 0.8385 (OUTLIER) cc_final: 0.7749 (t70) REVERT: D 3764 LEU cc_start: 0.9620 (OUTLIER) cc_final: 0.9259 (mp) REVERT: D 3767 GLN cc_start: 0.9205 (OUTLIER) cc_final: 0.8718 (mt0) REVERT: D 3789 GLU cc_start: 0.8030 (OUTLIER) cc_final: 0.7683 (tm-30) REVERT: D 3959 LYS cc_start: 0.9555 (OUTLIER) cc_final: 0.9289 (ttmt) REVERT: D 4031 LEU cc_start: 0.9085 (OUTLIER) cc_final: 0.8874 (mt) REVERT: D 4069 LYS cc_start: 0.9406 (OUTLIER) cc_final: 0.8982 (tptt) REVERT: D 4114 CYS cc_start: 0.9051 (OUTLIER) cc_final: 0.8790 (t) REVERT: D 4196 GLU cc_start: 0.8438 (OUTLIER) cc_final: 0.8129 (tm-30) REVERT: D 4207 MET cc_start: 0.9101 (mmm) cc_final: 0.8876 (mmm) REVERT: D 4679 ARG cc_start: 0.9280 (OUTLIER) cc_final: 0.9028 (mtt-85) REVERT: D 4743 MET cc_start: 0.8711 (mpp) cc_final: 0.8265 (mpp) REVERT: D 4879 MET cc_start: 0.9104 (pmm) cc_final: 0.8750 (pmm) REVERT: D 4897 ILE cc_start: 0.8437 (OUTLIER) cc_final: 0.8157 (tp) REVERT: D 4978 HIS cc_start: 0.8060 (OUTLIER) cc_final: 0.7230 (t-170) outliers start: 2407 outliers final: 1653 residues processed: 2823 average time/residue: 0.8820 time to fit residues: 4503.5013 Evaluate side-chains 2349 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1807 poor density : 542 time to evaluate : 9.306 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 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 226 HIS Chi-restraints excluded: chain A residue 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 316 PHE Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 644 ILE Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 885 THR Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 901 LYS Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 938 HIS Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 976 ARG Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR 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 1078 GLU Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE 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 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU 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 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU 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 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL 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 1854 PHE Chi-restraints excluded: chain A residue 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1972 ASN Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2754 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2790 MET Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2807 TRP 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 2869 ARG Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2905 LEU 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 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3749 VAL Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3898 ASP Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4923 PHE Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU 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 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 65 CYS Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 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 226 HIS Chi-restraints excluded: chain B residue 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 316 PHE Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 552 ASP Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 644 ILE Chi-restraints excluded: chain B residue 647 ASN Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 726 VAL Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 885 THR Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 976 ARG Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1651 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 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1854 PHE Chi-restraints excluded: chain B residue 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1972 ASN Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2126 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2187 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2754 PHE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2787 THR Chi-restraints excluded: chain B residue 2790 MET Chi-restraints excluded: chain B residue 2798 SER Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU 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 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3749 VAL Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3898 ASP Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4051 SER 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 4056 GLU Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4207 MET Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4583 SER Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 LEU Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4865 LYS Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4923 PHE Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 194 SER 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 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 305 CYS Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 316 PHE Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 644 ILE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 885 THR Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 932 LEU Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 976 ARG Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1694 LEU 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 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1854 PHE Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1972 ASN Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2126 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2182 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2754 PHE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2787 THR Chi-restraints excluded: chain C residue 2790 MET Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3749 VAL Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3898 ASP Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4923 PHE Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4940 PHE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 305 CYS Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 316 PHE Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 644 ILE Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 885 THR Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 901 LYS Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 938 HIS Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 976 ARG Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1078 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1118 ASP Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1221 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE 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 1251 GLU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 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 1661 ARG Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1694 LEU 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 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1854 PHE Chi-restraints excluded: chain D residue 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1972 ASN Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2104 ARG 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 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2182 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 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2754 PHE Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2790 MET Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR 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 2922 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3749 VAL Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3898 ASP Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4923 PHE Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 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 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 5004 THR 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 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 647 ASN ** A 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2011 HIS ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4102 GLN A4805 ASN A4832 HIS A4973 HIS A5003 HIS ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1691 GLN ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2011 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4805 ASN B4832 HIS B4833 ASN B5003 HIS ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 197 GLN C 201 ASN C 226 HIS ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 647 ASN ** C 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1691 GLN ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2011 HIS ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4102 GLN C4805 ASN C4832 HIS C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 197 GLN ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1691 GLN ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2011 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4102 GLN D4805 ASN D4832 HIS D4973 HIS Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8555 moved from start: 0.9033 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.365 119312 Z= 3.305 Angle : 3.118 37.407 162720 Z= 1.549 Chirality : 0.139 0.662 19040 Planarity : 0.020 0.250 21416 Dihedral : 13.819 142.556 17649 Min Nonbonded Distance : 1.314 Molprobity Statistics. All-atom Clashscore : 95.95 Ramachandran Plot: Outliers : 2.45 % Allowed : 33.59 % Favored : 63.96 % Rotamer: Outliers : 26.32 % Allowed : 25.75 % Favored : 47.93 % Cbeta Deviations : 0.34 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 7.07 % Twisted General : 2.94 % 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: -7.14 (0.05), residues: 12808 helix: -4.48 (0.03), residues: 5920 sheet: -4.15 (0.12), residues: 1140 loop : -5.16 (0.06), residues: 5748 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.089 0.009 TRP D4205 HIS 0.049 0.007 HIS D 502 PHE 0.106 0.010 PHE A4195 TYR 0.063 0.010 TYR C 506 ARG 0.059 0.003 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3197 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2646 poor density : 551 time to evaluate : 8.920 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: A 15 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7762 (ptm160) REVERT: A 23 GLN cc_start: 0.8291 (OUTLIER) cc_final: 0.7983 (mt0) REVERT: A 137 LEU cc_start: 0.9280 (OUTLIER) cc_final: 0.8992 (mp) REVERT: A 202 MET cc_start: 0.8357 (tpp) cc_final: 0.8054 (tpp) REVERT: A 384 MET cc_start: 0.8482 (pmm) cc_final: 0.8266 (pmm) REVERT: A 443 LEU cc_start: 0.9034 (OUTLIER) cc_final: 0.8718 (tt) REVERT: A 462 GLU cc_start: 0.8520 (OUTLIER) cc_final: 0.7962 (pm20) REVERT: A 469 ARG cc_start: 0.8972 (OUTLIER) cc_final: 0.8726 (ttm-80) REVERT: A 478 PHE cc_start: 0.9302 (OUTLIER) cc_final: 0.9078 (t80) REVERT: A 534 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.7762 (tpt-90) REVERT: A 603 LEU cc_start: 0.9694 (OUTLIER) cc_final: 0.9290 (tt) REVERT: A 661 LYS cc_start: 0.9235 (OUTLIER) cc_final: 0.8917 (ptpt) REVERT: A 683 ARG cc_start: 0.9560 (OUTLIER) cc_final: 0.9340 (mtt180) REVERT: A 709 ASP cc_start: 0.8944 (OUTLIER) cc_final: 0.8741 (m-30) REVERT: A 800 PHE cc_start: 0.8889 (OUTLIER) cc_final: 0.8310 (t80) REVERT: A 880 GLU cc_start: 0.7793 (OUTLIER) cc_final: 0.7241 (tm-30) REVERT: A 910 PHE cc_start: 0.5367 (OUTLIER) cc_final: 0.4297 (m-10) REVERT: A 911 HIS cc_start: 0.7786 (OUTLIER) cc_final: 0.6873 (t70) REVERT: A 1202 LEU cc_start: 0.9779 (OUTLIER) cc_final: 0.9378 (tp) REVERT: A 1221 GLU cc_start: 0.9204 (OUTLIER) cc_final: 0.8988 (tp30) REVERT: A 1720 LEU cc_start: 0.9361 (OUTLIER) cc_final: 0.9030 (pp) REVERT: A 1733 GLU cc_start: 0.8484 (OUTLIER) cc_final: 0.8044 (mm-30) REVERT: A 1973 GLN cc_start: 0.9281 (OUTLIER) cc_final: 0.8710 (tm-30) REVERT: A 2014 ASP cc_start: 0.5696 (OUTLIER) cc_final: 0.4544 (m-30) REVERT: A 2126 ARG cc_start: 0.9157 (OUTLIER) cc_final: 0.8738 (mtp85) REVERT: A 2140 ARG cc_start: 0.9252 (OUTLIER) cc_final: 0.7724 (mtp85) REVERT: A 2163 ARG cc_start: 0.9276 (OUTLIER) cc_final: 0.8567 (ttp80) REVERT: A 2208 MET cc_start: 0.9165 (OUTLIER) cc_final: 0.8954 (ttp) REVERT: A 2268 GLN cc_start: 0.7253 (OUTLIER) cc_final: 0.6597 (pm20) REVERT: A 2285 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.8046 (tm-30) REVERT: A 2364 PHE cc_start: 0.8670 (OUTLIER) cc_final: 0.8284 (m-80) REVERT: A 2735 PHE cc_start: 0.6007 (OUTLIER) cc_final: 0.5382 (m-80) REVERT: A 2754 PHE cc_start: -0.5084 (OUTLIER) cc_final: -0.5424 (m-80) REVERT: A 2878 LEU cc_start: 0.9041 (tp) cc_final: 0.8739 (tp) REVERT: A 2882 TYR cc_start: 0.5673 (OUTLIER) cc_final: 0.4532 (t80) REVERT: A 2886 TRP cc_start: 0.7213 (OUTLIER) cc_final: 0.6748 (m100) REVERT: A 3643 ASN cc_start: 0.9331 (OUTLIER) cc_final: 0.8995 (p0) REVERT: A 3658 LYS cc_start: 0.6416 (OUTLIER) cc_final: 0.5608 (mmtt) REVERT: A 3734 HIS cc_start: 0.8406 (OUTLIER) cc_final: 0.7797 (t70) REVERT: A 3764 LEU cc_start: 0.9613 (OUTLIER) cc_final: 0.9238 (mp) REVERT: A 3767 GLN cc_start: 0.9297 (OUTLIER) cc_final: 0.8804 (mt0) REVERT: A 3789 GLU cc_start: 0.8047 (OUTLIER) cc_final: 0.7709 (tm-30) REVERT: A 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9336 (ttmt) REVERT: A 4032 GLU cc_start: 0.8881 (OUTLIER) cc_final: 0.8643 (tm-30) REVERT: A 4069 LYS cc_start: 0.9401 (OUTLIER) cc_final: 0.8987 (tptt) REVERT: A 4114 CYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8741 (t) REVERT: A 4175 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8764 (ttp80) REVERT: A 4196 GLU cc_start: 0.8526 (OUTLIER) cc_final: 0.7956 (tm-30) REVERT: A 4207 MET cc_start: 0.9081 (mmm) cc_final: 0.8802 (mmm) REVERT: A 4679 ARG cc_start: 0.9294 (OUTLIER) cc_final: 0.9034 (mtt-85) REVERT: A 4695 ASP cc_start: 0.7731 (OUTLIER) cc_final: 0.7401 (t0) REVERT: A 4743 MET cc_start: 0.8702 (mpp) cc_final: 0.8199 (mpp) REVERT: A 4806 ASN cc_start: 0.8325 (OUTLIER) cc_final: 0.7910 (p0) REVERT: A 4809 PHE cc_start: 0.9138 (OUTLIER) cc_final: 0.8818 (m-10) REVERT: A 4897 ILE cc_start: 0.8325 (OUTLIER) cc_final: 0.8070 (tp) REVERT: A 4973 HIS cc_start: 0.8208 (OUTLIER) cc_final: 0.7150 (m-70) REVERT: A 4978 HIS cc_start: 0.7272 (OUTLIER) cc_final: 0.6755 (t-170) REVERT: B 15 ARG cc_start: 0.7989 (OUTLIER) cc_final: 0.7669 (ptm160) REVERT: B 23 GLN cc_start: 0.8366 (OUTLIER) cc_final: 0.8106 (mt0) REVERT: B 137 LEU cc_start: 0.9284 (OUTLIER) cc_final: 0.9010 (mp) REVERT: B 202 MET cc_start: 0.8368 (tpp) cc_final: 0.8123 (tpp) REVERT: B 384 MET cc_start: 0.8555 (pmm) cc_final: 0.8333 (pmm) REVERT: B 443 LEU cc_start: 0.9032 (OUTLIER) cc_final: 0.8715 (tt) REVERT: B 445 LEU cc_start: 0.9654 (OUTLIER) cc_final: 0.9422 (mm) REVERT: B 462 GLU cc_start: 0.8493 (OUTLIER) cc_final: 0.7908 (pm20) REVERT: B 534 ARG cc_start: 0.8857 (OUTLIER) cc_final: 0.8126 (tpt-90) REVERT: B 603 LEU cc_start: 0.9697 (OUTLIER) cc_final: 0.9293 (tt) REVERT: B 661 LYS cc_start: 0.9226 (OUTLIER) cc_final: 0.8887 (ptpt) REVERT: B 800 PHE cc_start: 0.8887 (OUTLIER) cc_final: 0.8327 (t80) REVERT: B 880 GLU cc_start: 0.7743 (OUTLIER) cc_final: 0.7113 (tm-30) REVERT: B 910 PHE cc_start: 0.5494 (OUTLIER) cc_final: 0.4425 (m-10) REVERT: B 911 HIS cc_start: 0.7710 (OUTLIER) cc_final: 0.6934 (t70) REVERT: B 924 MET cc_start: 0.8620 (OUTLIER) cc_final: 0.8218 (mpp) REVERT: B 1176 GLU cc_start: 0.5778 (OUTLIER) cc_final: 0.5143 (pp20) REVERT: B 1202 LEU cc_start: 0.9780 (OUTLIER) cc_final: 0.9376 (tp) REVERT: B 1720 LEU cc_start: 0.9349 (OUTLIER) cc_final: 0.9009 (pp) REVERT: B 1733 GLU cc_start: 0.8532 (OUTLIER) cc_final: 0.8127 (mm-30) REVERT: B 1973 GLN cc_start: 0.9281 (OUTLIER) cc_final: 0.8693 (tm-30) REVERT: B 2014 ASP cc_start: 0.5700 (OUTLIER) cc_final: 0.4521 (m-30) REVERT: B 2126 ARG cc_start: 0.9148 (OUTLIER) cc_final: 0.8721 (mtp85) REVERT: B 2140 ARG cc_start: 0.9252 (OUTLIER) cc_final: 0.7719 (mtp85) REVERT: B 2163 ARG cc_start: 0.9281 (OUTLIER) cc_final: 0.8573 (ttp80) REVERT: B 2208 MET cc_start: 0.9170 (OUTLIER) cc_final: 0.8960 (ttp) REVERT: B 2268 GLN cc_start: 0.7247 (OUTLIER) cc_final: 0.6594 (pm20) REVERT: B 2285 GLU cc_start: 0.8420 (OUTLIER) cc_final: 0.8061 (tm-30) REVERT: B 2349 ASN cc_start: 0.9553 (OUTLIER) cc_final: 0.9351 (m-40) REVERT: B 2364 PHE cc_start: 0.8701 (OUTLIER) cc_final: 0.8344 (m-80) REVERT: B 2735 PHE cc_start: 0.6007 (OUTLIER) cc_final: 0.5424 (m-80) REVERT: B 2754 PHE cc_start: -0.5066 (OUTLIER) cc_final: -0.5472 (m-80) REVERT: B 2766 TRP cc_start: -0.0586 (OUTLIER) cc_final: -0.1380 (t-100) REVERT: B 2878 LEU cc_start: 0.9015 (tp) cc_final: 0.8707 (tp) REVERT: B 3643 ASN cc_start: 0.9325 (OUTLIER) cc_final: 0.8982 (p0) REVERT: B 3658 LYS cc_start: 0.6441 (OUTLIER) cc_final: 0.5621 (mmtt) REVERT: B 3734 HIS cc_start: 0.8416 (OUTLIER) cc_final: 0.7800 (t70) REVERT: B 3764 LEU cc_start: 0.9614 (OUTLIER) cc_final: 0.9248 (mp) REVERT: B 3767 GLN cc_start: 0.9285 (OUTLIER) cc_final: 0.8770 (mt0) REVERT: B 3789 GLU cc_start: 0.8017 (OUTLIER) cc_final: 0.7639 (tm-30) REVERT: B 3949 ARG cc_start: 0.8601 (OUTLIER) cc_final: 0.8129 (ttm110) REVERT: B 3959 LYS cc_start: 0.9569 (OUTLIER) cc_final: 0.9307 (ttmt) REVERT: B 4032 GLU cc_start: 0.8878 (OUTLIER) cc_final: 0.8606 (tm-30) REVERT: B 4069 LYS cc_start: 0.9399 (OUTLIER) cc_final: 0.8961 (tptt) REVERT: B 4114 CYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8763 (t) REVERT: B 4215 ARG cc_start: 0.8366 (OUTLIER) cc_final: 0.7919 (ttt180) REVERT: B 4679 ARG cc_start: 0.9256 (OUTLIER) cc_final: 0.8994 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7726 (OUTLIER) cc_final: 0.7456 (t0) REVERT: B 4743 MET cc_start: 0.8699 (mpp) cc_final: 0.8201 (mpp) REVERT: B 4804 TYR cc_start: 0.8860 (OUTLIER) cc_final: 0.8543 (m-80) REVERT: B 4806 ASN cc_start: 0.8320 (OUTLIER) cc_final: 0.7863 (p0) REVERT: B 4809 PHE cc_start: 0.9127 (OUTLIER) cc_final: 0.8801 (m-10) REVERT: B 4897 ILE cc_start: 0.8356 (OUTLIER) cc_final: 0.8061 (tp) REVERT: B 4973 HIS cc_start: 0.8280 (OUTLIER) cc_final: 0.7254 (m90) REVERT: B 4978 HIS cc_start: 0.7705 (OUTLIER) cc_final: 0.6801 (t-170) REVERT: B 5026 ASP cc_start: 0.9185 (OUTLIER) cc_final: 0.8813 (m-30) REVERT: C 15 ARG cc_start: 0.8135 (OUTLIER) cc_final: 0.7823 (ptm160) REVERT: C 137 LEU cc_start: 0.9258 (OUTLIER) cc_final: 0.8991 (mp) REVERT: C 202 MET cc_start: 0.8392 (tpp) cc_final: 0.8073 (tpp) REVERT: C 359 TYR cc_start: 0.9267 (OUTLIER) cc_final: 0.8671 (p90) REVERT: C 443 LEU cc_start: 0.9024 (OUTLIER) cc_final: 0.8713 (tt) REVERT: C 445 LEU cc_start: 0.9666 (OUTLIER) cc_final: 0.9447 (mm) REVERT: C 451 TYR cc_start: 0.9683 (OUTLIER) cc_final: 0.9429 (t80) REVERT: C 462 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.7920 (pm20) REVERT: C 469 ARG cc_start: 0.8980 (OUTLIER) cc_final: 0.8759 (ttm-80) REVERT: C 478 PHE cc_start: 0.9300 (OUTLIER) cc_final: 0.9073 (t80) REVERT: C 483 MET cc_start: 0.8687 (tpp) cc_final: 0.8483 (tpp) REVERT: C 603 LEU cc_start: 0.9701 (OUTLIER) cc_final: 0.9297 (tt) REVERT: C 661 LYS cc_start: 0.9230 (OUTLIER) cc_final: 0.8880 (ptpt) REVERT: C 709 ASP cc_start: 0.8996 (OUTLIER) cc_final: 0.8754 (m-30) REVERT: C 800 PHE cc_start: 0.8873 (OUTLIER) cc_final: 0.8298 (t80) REVERT: C 821 LEU cc_start: 0.9529 (OUTLIER) cc_final: 0.9102 (tp) REVERT: C 880 GLU cc_start: 0.7581 (OUTLIER) cc_final: 0.7319 (tm-30) REVERT: C 910 PHE cc_start: 0.4741 (OUTLIER) cc_final: 0.4037 (m-10) REVERT: C 911 HIS cc_start: 0.7526 (OUTLIER) cc_final: 0.6235 (t70) REVERT: C 1202 LEU cc_start: 0.9771 (OUTLIER) cc_final: 0.9396 (tp) REVERT: C 1221 GLU cc_start: 0.9183 (OUTLIER) cc_final: 0.8955 (tp30) REVERT: C 1230 MET cc_start: 0.8510 (OUTLIER) cc_final: 0.7955 (mmt) REVERT: C 1581 LEU cc_start: 0.8198 (OUTLIER) cc_final: 0.7884 (tt) REVERT: C 1601 MET cc_start: 0.8906 (OUTLIER) cc_final: 0.8444 (mmt) REVERT: C 1661 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8773 (ttm-80) REVERT: C 1720 LEU cc_start: 0.9374 (OUTLIER) cc_final: 0.9061 (pp) REVERT: C 1733 GLU cc_start: 0.8458 (OUTLIER) cc_final: 0.8047 (mm-30) REVERT: C 1973 GLN cc_start: 0.9281 (OUTLIER) cc_final: 0.8685 (tm-30) REVERT: C 2014 ASP cc_start: 0.5657 (OUTLIER) cc_final: 0.4508 (m-30) REVERT: C 2126 ARG cc_start: 0.9152 (OUTLIER) cc_final: 0.8716 (mtp85) REVERT: C 2140 ARG cc_start: 0.9251 (OUTLIER) cc_final: 0.7716 (mtp85) REVERT: C 2163 ARG cc_start: 0.9278 (OUTLIER) cc_final: 0.8589 (ttp80) REVERT: C 2208 MET cc_start: 0.9176 (OUTLIER) cc_final: 0.8974 (ttp) REVERT: C 2228 MET cc_start: 0.9185 (tpp) cc_final: 0.8799 (tpp) REVERT: C 2268 GLN cc_start: 0.7220 (OUTLIER) cc_final: 0.6604 (pm20) REVERT: C 2285 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.8044 (tm-30) REVERT: C 2364 PHE cc_start: 0.8720 (OUTLIER) cc_final: 0.8399 (m-80) REVERT: C 2735 PHE cc_start: 0.6229 (OUTLIER) cc_final: 0.5599 (m-80) REVERT: C 2754 PHE cc_start: -0.5020 (OUTLIER) cc_final: -0.5341 (m-80) REVERT: C 2766 TRP cc_start: -0.0476 (OUTLIER) cc_final: -0.1256 (t-100) REVERT: C 2807 TRP cc_start: 0.7599 (OUTLIER) cc_final: 0.7182 (p-90) REVERT: C 2878 LEU cc_start: 0.9012 (tp) cc_final: 0.8707 (tp) REVERT: C 3643 ASN cc_start: 0.9324 (OUTLIER) cc_final: 0.8984 (p0) REVERT: C 3658 LYS cc_start: 0.6392 (OUTLIER) cc_final: 0.5602 (mmtt) REVERT: C 3734 HIS cc_start: 0.8413 (OUTLIER) cc_final: 0.7795 (t70) REVERT: C 3764 LEU cc_start: 0.9635 (OUTLIER) cc_final: 0.9280 (mp) REVERT: C 3767 GLN cc_start: 0.9276 (OUTLIER) cc_final: 0.8763 (mt0) REVERT: C 3789 GLU cc_start: 0.8002 (OUTLIER) cc_final: 0.7647 (tm-30) REVERT: C 3959 LYS cc_start: 0.9567 (OUTLIER) cc_final: 0.9311 (ttmt) REVERT: C 4069 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.8962 (tptt) REVERT: C 4114 CYS cc_start: 0.9076 (OUTLIER) cc_final: 0.8710 (t) REVERT: C 4196 GLU cc_start: 0.8576 (OUTLIER) cc_final: 0.8003 (tm-30) REVERT: C 4205 TRP cc_start: 0.9785 (OUTLIER) cc_final: 0.9580 (t-100) REVERT: C 4634 GLU cc_start: 0.3093 (OUTLIER) cc_final: 0.2805 (tt0) REVERT: C 4679 ARG cc_start: 0.9270 (OUTLIER) cc_final: 0.9001 (mtt-85) REVERT: C 4743 MET cc_start: 0.8695 (mpp) cc_final: 0.8203 (mpp) REVERT: C 4806 ASN cc_start: 0.8300 (OUTLIER) cc_final: 0.7892 (p0) REVERT: C 4879 MET cc_start: 0.9166 (pmm) cc_final: 0.8847 (pmm) REVERT: C 4897 ILE cc_start: 0.8453 (OUTLIER) cc_final: 0.8196 (tp) REVERT: C 4973 HIS cc_start: 0.8213 (OUTLIER) cc_final: 0.7139 (m-70) REVERT: C 4978 HIS cc_start: 0.7748 (OUTLIER) cc_final: 0.7049 (t-170) REVERT: C 5026 ASP cc_start: 0.9197 (OUTLIER) cc_final: 0.8853 (m-30) REVERT: D 15 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.7736 (ptm160) REVERT: D 23 GLN cc_start: 0.8289 (OUTLIER) cc_final: 0.8000 (mt0) REVERT: D 137 LEU cc_start: 0.9327 (OUTLIER) cc_final: 0.9006 (mp) REVERT: D 202 MET cc_start: 0.8377 (tpp) cc_final: 0.8058 (tpp) REVERT: D 443 LEU cc_start: 0.9031 (OUTLIER) cc_final: 0.8720 (tt) REVERT: D 462 GLU cc_start: 0.8482 (OUTLIER) cc_final: 0.7970 (pm20) REVERT: D 534 ARG cc_start: 0.8871 (OUTLIER) cc_final: 0.8076 (tpt-90) REVERT: D 661 LYS cc_start: 0.9239 (OUTLIER) cc_final: 0.8939 (ptpt) REVERT: D 689 THR cc_start: 0.9322 (OUTLIER) cc_final: 0.9065 (m) REVERT: D 800 PHE cc_start: 0.8926 (OUTLIER) cc_final: 0.8278 (t80) REVERT: D 813 GLU cc_start: 0.7201 (OUTLIER) cc_final: 0.6224 (tp30) REVERT: D 880 GLU cc_start: 0.7812 (OUTLIER) cc_final: 0.7121 (tm-30) REVERT: D 910 PHE cc_start: 0.5818 (OUTLIER) cc_final: 0.5300 (m-10) REVERT: D 911 HIS cc_start: 0.7370 (OUTLIER) cc_final: 0.6794 (t70) REVERT: D 1176 GLU cc_start: 0.5561 (OUTLIER) cc_final: 0.4879 (pp20) REVERT: D 1202 LEU cc_start: 0.9789 (OUTLIER) cc_final: 0.9416 (tp) REVERT: D 1274 HIS cc_start: 0.9355 (OUTLIER) cc_final: 0.8923 (t-170) REVERT: D 1720 LEU cc_start: 0.9333 (OUTLIER) cc_final: 0.9005 (pp) REVERT: D 1733 GLU cc_start: 0.8493 (OUTLIER) cc_final: 0.8083 (mm-30) REVERT: D 1861 GLN cc_start: 0.9499 (OUTLIER) cc_final: 0.9178 (mp10) REVERT: D 1973 GLN cc_start: 0.9275 (OUTLIER) cc_final: 0.8669 (tm-30) REVERT: D 2014 ASP cc_start: 0.5673 (OUTLIER) cc_final: 0.4516 (m-30) REVERT: D 2104 ARG cc_start: 0.9001 (OUTLIER) cc_final: 0.8750 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9154 (OUTLIER) cc_final: 0.8745 (mtp85) REVERT: D 2140 ARG cc_start: 0.9256 (OUTLIER) cc_final: 0.7742 (mtp85) REVERT: D 2208 MET cc_start: 0.9197 (OUTLIER) cc_final: 0.8979 (ttp) REVERT: D 2285 GLU cc_start: 0.8446 (OUTLIER) cc_final: 0.8086 (tm-30) REVERT: D 2364 PHE cc_start: 0.8674 (OUTLIER) cc_final: 0.8294 (m-80) REVERT: D 2735 PHE cc_start: 0.5840 (OUTLIER) cc_final: 0.5184 (m-80) REVERT: D 2754 PHE cc_start: -0.5111 (OUTLIER) cc_final: -0.5529 (m-80) REVERT: D 2878 LEU cc_start: 0.9027 (tp) cc_final: 0.8729 (tp) REVERT: D 2882 TYR cc_start: 0.5168 (OUTLIER) cc_final: 0.4161 (t80) REVERT: D 3643 ASN cc_start: 0.9334 (OUTLIER) cc_final: 0.8993 (p0) REVERT: D 3658 LYS cc_start: 0.6407 (OUTLIER) cc_final: 0.5596 (mmtt) REVERT: D 3734 HIS cc_start: 0.8409 (OUTLIER) cc_final: 0.7790 (t70) REVERT: D 3764 LEU cc_start: 0.9615 (OUTLIER) cc_final: 0.9241 (mp) REVERT: D 3767 GLN cc_start: 0.9295 (OUTLIER) cc_final: 0.8812 (mt0) REVERT: D 3789 GLU cc_start: 0.8081 (OUTLIER) cc_final: 0.7723 (tm-30) REVERT: D 3959 LYS cc_start: 0.9559 (OUTLIER) cc_final: 0.9310 (ttmt) REVERT: D 4069 LYS cc_start: 0.9402 (OUTLIER) cc_final: 0.8985 (tptt) REVERT: D 4114 CYS cc_start: 0.9046 (OUTLIER) cc_final: 0.8748 (t) REVERT: D 4196 GLU cc_start: 0.8587 (OUTLIER) cc_final: 0.8052 (tm-30) REVERT: D 4679 ARG cc_start: 0.9260 (OUTLIER) cc_final: 0.9002 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7789 (OUTLIER) cc_final: 0.7437 (t0) REVERT: D 4743 MET cc_start: 0.8703 (mpp) cc_final: 0.8198 (mpp) REVERT: D 4806 ASN cc_start: 0.8292 (OUTLIER) cc_final: 0.7853 (p0) REVERT: D 4809 PHE cc_start: 0.9187 (OUTLIER) cc_final: 0.8921 (m-10) REVERT: D 4879 MET cc_start: 0.9207 (pmm) cc_final: 0.8880 (pmm) REVERT: D 4973 HIS cc_start: 0.8213 (OUTLIER) cc_final: 0.7123 (m-70) REVERT: D 4978 HIS cc_start: 0.7935 (OUTLIER) cc_final: 0.7250 (t-170) REVERT: D 5026 ASP cc_start: 0.9153 (OUTLIER) cc_final: 0.8803 (m-30) outliers start: 2646 outliers final: 1917 residues processed: 3059 average time/residue: 0.8931 time to fit residues: 4942.4958 Evaluate side-chains 2669 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2124 poor density : 545 time to evaluate : 8.733 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 207 SER 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 379 HIS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 544 LEU Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 603 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 683 ARG 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 861 ILE Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 911 HIS Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1111 PRO Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1236 THR Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU 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 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2014 ASP Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2754 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2788 HIS Chi-restraints excluded: chain A residue 2790 MET Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS 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 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3749 VAL Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4175 ARG Chi-restraints excluded: chain A residue 4177 TYR 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 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE 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 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4772 ASP 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 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4809 PHE Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 LEU 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 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4931 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 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 207 SER 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 379 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 596 ASN Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR 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 661 LYS Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 861 ILE Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 901 LYS Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 924 MET Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1236 THR Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1650 ILE Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU 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 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2123 LEU Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2176 ASN Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2187 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2319 PRO Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2754 PHE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2790 MET Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2805 TYR Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS 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 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3749 VAL Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4207 MET Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4805 ASN Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4809 PHE Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 LEU Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4841 VAL Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP 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 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 207 SER 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 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 316 PHE Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL 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 549 SER Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 639 ASN 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 661 LYS Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 861 ILE Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 901 LYS Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 911 HIS Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1236 THR Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1694 LEU 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 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2014 ASP Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2123 LEU Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2176 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2319 PRO Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2754 PHE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2790 MET Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2916 LYS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3749 VAL Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3840 SER Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 LEU 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 4832 HIS Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 129 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 379 HIS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 639 ASN 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 661 LYS Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 861 ILE Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE 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 1251 GLU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1694 LEU 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 1733 GLU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2014 ASP Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2176 ASN 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 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2754 PHE Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2788 HIS Chi-restraints excluded: chain D residue 2790 MET Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2916 LYS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3749 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4177 TYR Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4732 PHE Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4769 MET Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4809 PHE Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE 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 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 7.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 350 HIS ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 647 ASN ** A 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4805 ASN A4973 HIS ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 226 HIS ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 350 HIS ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 536 ASN ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4102 GLN ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 350 HIS ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 647 ASN ** C 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4805 ASN C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 350 HIS ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1691 GLN ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4037 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4973 HIS Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8563 moved from start: 0.9427 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.359 119312 Z= 3.296 Angle : 3.102 38.714 162720 Z= 1.545 Chirality : 0.139 0.647 19040 Planarity : 0.019 0.207 21416 Dihedral : 14.103 174.798 17649 Min Nonbonded Distance : 1.309 Molprobity Statistics. All-atom Clashscore : 96.86 Ramachandran Plot: Outliers : 2.38 % Allowed : 35.53 % Favored : 62.09 % Rotamer: Outliers : 28.85 % Allowed : 24.36 % Favored : 46.79 % Cbeta Deviations : 0.38 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 7.57 % Twisted General : 3.41 % 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: -7.23 (0.04), residues: 12808 helix: -4.51 (0.03), residues: 5920 sheet: -4.18 (0.12), residues: 1100 loop : -5.26 (0.05), residues: 5788 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.087 0.009 TRP C4205 HIS 0.048 0.007 HIS C4832 PHE 0.110 0.010 PHE A4195 TYR 0.055 0.009 TYR B5009 ARG 0.057 0.003 ARG C 758 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3440 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2900 poor density : 540 time to evaluate : 8.145 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: A 15 ARG cc_start: 0.8369 (OUTLIER) cc_final: 0.8054 (ptm160) REVERT: A 69 LEU cc_start: 0.8763 (OUTLIER) cc_final: 0.8363 (mp) REVERT: A 137 LEU cc_start: 0.9343 (OUTLIER) cc_final: 0.9077 (mp) REVERT: A 157 ARG cc_start: 0.8355 (OUTLIER) cc_final: 0.7976 (mmp80) REVERT: A 202 MET cc_start: 0.8331 (tpp) cc_final: 0.8106 (tpp) REVERT: A 384 MET cc_start: 0.8510 (pmm) cc_final: 0.8255 (pmm) REVERT: A 396 GLU cc_start: 0.9224 (OUTLIER) cc_final: 0.8929 (pm20) REVERT: A 443 LEU cc_start: 0.9002 (OUTLIER) cc_final: 0.8716 (tt) REVERT: A 451 TYR cc_start: 0.9656 (OUTLIER) cc_final: 0.9406 (t80) REVERT: A 462 GLU cc_start: 0.8524 (OUTLIER) cc_final: 0.7961 (pm20) REVERT: A 469 ARG cc_start: 0.8959 (OUTLIER) cc_final: 0.8709 (ttm-80) REVERT: A 478 PHE cc_start: 0.9282 (OUTLIER) cc_final: 0.9032 (t80) REVERT: A 503 PHE cc_start: 0.7378 (OUTLIER) cc_final: 0.7177 (p90) REVERT: A 534 ARG cc_start: 0.8738 (OUTLIER) cc_final: 0.7825 (tpt-90) REVERT: A 659 TYR cc_start: 0.8125 (OUTLIER) cc_final: 0.7762 (t80) REVERT: A 661 LYS cc_start: 0.9251 (OUTLIER) cc_final: 0.8909 (ptpt) REVERT: A 674 PHE cc_start: 0.9447 (OUTLIER) cc_final: 0.9209 (t80) REVERT: A 683 ARG cc_start: 0.9576 (OUTLIER) cc_final: 0.9261 (mtt180) REVERT: A 709 ASP cc_start: 0.8957 (OUTLIER) cc_final: 0.8686 (m-30) REVERT: A 800 PHE cc_start: 0.8934 (OUTLIER) cc_final: 0.8271 (t80) REVERT: A 829 TYR cc_start: 0.9407 (OUTLIER) cc_final: 0.9189 (p90) REVERT: A 880 GLU cc_start: 0.7562 (OUTLIER) cc_final: 0.6858 (tm-30) REVERT: A 910 PHE cc_start: 0.5739 (OUTLIER) cc_final: 0.4551 (m-10) REVERT: A 911 HIS cc_start: 0.6918 (OUTLIER) cc_final: 0.6509 (t-170) REVERT: A 1079 LYS cc_start: 0.9527 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: A 1180 ARG cc_start: 0.8734 (OUTLIER) cc_final: 0.7813 (mpp80) REVERT: A 1186 ASP cc_start: 0.8764 (OUTLIER) cc_final: 0.8467 (m-30) REVERT: A 1202 LEU cc_start: 0.9779 (OUTLIER) cc_final: 0.9374 (tp) REVERT: A 1221 GLU cc_start: 0.9227 (OUTLIER) cc_final: 0.9022 (tp30) REVERT: A 1720 LEU cc_start: 0.9328 (OUTLIER) cc_final: 0.8985 (pp) REVERT: A 1733 GLU cc_start: 0.8469 (OUTLIER) cc_final: 0.8049 (mm-30) REVERT: A 1854 PHE cc_start: 0.9295 (OUTLIER) cc_final: 0.8690 (m-80) REVERT: A 1858 ASP cc_start: 0.9035 (OUTLIER) cc_final: 0.8751 (m-30) REVERT: A 1973 GLN cc_start: 0.9302 (OUTLIER) cc_final: 0.8738 (tm-30) REVERT: A 2014 ASP cc_start: 0.5565 (OUTLIER) cc_final: 0.4521 (m-30) REVERT: A 2126 ARG cc_start: 0.9149 (OUTLIER) cc_final: 0.8727 (mtp85) REVERT: A 2140 ARG cc_start: 0.9262 (OUTLIER) cc_final: 0.7733 (mtp85) REVERT: A 2163 ARG cc_start: 0.9277 (OUTLIER) cc_final: 0.8574 (ttp80) REVERT: A 2208 MET cc_start: 0.9330 (OUTLIER) cc_final: 0.9005 (ttt) REVERT: A 2268 GLN cc_start: 0.7227 (OUTLIER) cc_final: 0.6572 (pm20) REVERT: A 2285 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8027 (tm-30) REVERT: A 2318 TYR cc_start: 0.8157 (OUTLIER) cc_final: 0.7432 (m-10) REVERT: A 2331 TYR cc_start: 0.8229 (OUTLIER) cc_final: 0.7911 (m-80) REVERT: A 2364 PHE cc_start: 0.8660 (OUTLIER) cc_final: 0.8308 (m-80) REVERT: A 2447 LYS cc_start: 0.6886 (OUTLIER) cc_final: 0.6564 (tppp) REVERT: A 2735 PHE cc_start: 0.5789 (OUTLIER) cc_final: 0.5238 (m-80) REVERT: A 2871 LEU cc_start: -0.1973 (OUTLIER) cc_final: -0.2330 (tt) REVERT: A 2878 LEU cc_start: 0.8787 (tp) cc_final: 0.8486 (tp) REVERT: A 3643 ASN cc_start: 0.9320 (OUTLIER) cc_final: 0.8965 (p0) REVERT: A 3655 GLU cc_start: 0.8485 (OUTLIER) cc_final: 0.8124 (pp20) REVERT: A 3658 LYS cc_start: 0.6540 (OUTLIER) cc_final: 0.5707 (mmtt) REVERT: A 3734 HIS cc_start: 0.8395 (OUTLIER) cc_final: 0.7761 (t70) REVERT: A 3764 LEU cc_start: 0.9623 (OUTLIER) cc_final: 0.9275 (mp) REVERT: A 3767 GLN cc_start: 0.9251 (OUTLIER) cc_final: 0.8746 (mt0) REVERT: A 3789 GLU cc_start: 0.8055 (OUTLIER) cc_final: 0.7688 (tm-30) REVERT: A 3959 LYS cc_start: 0.9575 (OUTLIER) cc_final: 0.9337 (ttmt) REVERT: A 4032 GLU cc_start: 0.8905 (OUTLIER) cc_final: 0.8674 (tm-30) REVERT: A 4069 LYS cc_start: 0.9414 (OUTLIER) cc_final: 0.8990 (tptt) REVERT: A 4114 CYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8738 (t) REVERT: A 4205 TRP cc_start: 0.9800 (OUTLIER) cc_final: 0.9570 (t-100) REVERT: A 4207 MET cc_start: 0.9008 (mmm) cc_final: 0.8764 (mmm) REVERT: A 4215 ARG cc_start: 0.8523 (OUTLIER) cc_final: 0.7752 (ttt180) REVERT: A 4634 GLU cc_start: 0.3173 (OUTLIER) cc_final: 0.2964 (tt0) REVERT: A 4679 ARG cc_start: 0.9295 (OUTLIER) cc_final: 0.8995 (mtt-85) REVERT: A 4743 MET cc_start: 0.8716 (mpp) cc_final: 0.8254 (mpp) REVERT: A 4806 ASN cc_start: 0.8525 (OUTLIER) cc_final: 0.8138 (p0) REVERT: A 4973 HIS cc_start: 0.8211 (OUTLIER) cc_final: 0.6660 (m-70) REVERT: A 4978 HIS cc_start: 0.7301 (OUTLIER) cc_final: 0.6761 (t-170) REVERT: B 15 ARG cc_start: 0.8066 (OUTLIER) cc_final: 0.7761 (ptm160) REVERT: B 23 GLN cc_start: 0.8363 (OUTLIER) cc_final: 0.8101 (mt0) REVERT: B 69 LEU cc_start: 0.8779 (OUTLIER) cc_final: 0.8403 (mp) REVERT: B 125 ARG cc_start: 0.8278 (OUTLIER) cc_final: 0.8070 (ptm-80) REVERT: B 137 LEU cc_start: 0.9333 (OUTLIER) cc_final: 0.9083 (mp) REVERT: B 157 ARG cc_start: 0.8379 (OUTLIER) cc_final: 0.8024 (mmp80) REVERT: B 202 MET cc_start: 0.8387 (tpp) cc_final: 0.8088 (tpp) REVERT: B 384 MET cc_start: 0.8588 (pmm) cc_final: 0.8382 (pmm) REVERT: B 443 LEU cc_start: 0.9003 (OUTLIER) cc_final: 0.8724 (tt) REVERT: B 445 LEU cc_start: 0.9647 (OUTLIER) cc_final: 0.9425 (mm) REVERT: B 462 GLU cc_start: 0.8538 (OUTLIER) cc_final: 0.7959 (pm20) REVERT: B 469 ARG cc_start: 0.8960 (OUTLIER) cc_final: 0.8688 (ttm-80) REVERT: B 474 ARG cc_start: 0.9460 (OUTLIER) cc_final: 0.9202 (ttp-110) REVERT: B 478 PHE cc_start: 0.9285 (OUTLIER) cc_final: 0.8824 (t80) REVERT: B 534 ARG cc_start: 0.8864 (OUTLIER) cc_final: 0.7995 (tpt-90) REVERT: B 603 LEU cc_start: 0.9696 (OUTLIER) cc_final: 0.9305 (tt) REVERT: B 659 TYR cc_start: 0.8111 (OUTLIER) cc_final: 0.7827 (t80) REVERT: B 661 LYS cc_start: 0.9244 (OUTLIER) cc_final: 0.8899 (ptpt) REVERT: B 674 PHE cc_start: 0.9448 (OUTLIER) cc_final: 0.9206 (t80) REVERT: B 800 PHE cc_start: 0.8936 (OUTLIER) cc_final: 0.8321 (t80) REVERT: B 821 LEU cc_start: 0.9559 (OUTLIER) cc_final: 0.9177 (tp) REVERT: B 880 GLU cc_start: 0.7441 (OUTLIER) cc_final: 0.6719 (tm-30) REVERT: B 910 PHE cc_start: 0.5567 (OUTLIER) cc_final: 0.4391 (m-10) REVERT: B 911 HIS cc_start: 0.6962 (OUTLIER) cc_final: 0.6572 (t-170) REVERT: B 1079 LYS cc_start: 0.9530 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: B 1180 ARG cc_start: 0.8747 (OUTLIER) cc_final: 0.7812 (mpp80) REVERT: B 1186 ASP cc_start: 0.8776 (OUTLIER) cc_final: 0.8458 (m-30) REVERT: B 1202 LEU cc_start: 0.9782 (OUTLIER) cc_final: 0.9402 (tp) REVERT: B 1733 GLU cc_start: 0.8478 (OUTLIER) cc_final: 0.8086 (mm-30) REVERT: B 1854 PHE cc_start: 0.9295 (OUTLIER) cc_final: 0.8696 (m-80) REVERT: B 1858 ASP cc_start: 0.9038 (OUTLIER) cc_final: 0.8751 (m-30) REVERT: B 1973 GLN cc_start: 0.9306 (OUTLIER) cc_final: 0.8741 (tm-30) REVERT: B 2014 ASP cc_start: 0.5572 (OUTLIER) cc_final: 0.4529 (m-30) REVERT: B 2126 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8729 (mtp85) REVERT: B 2140 ARG cc_start: 0.9267 (OUTLIER) cc_final: 0.7713 (mtp85) REVERT: B 2163 ARG cc_start: 0.9276 (OUTLIER) cc_final: 0.8587 (ttp80) REVERT: B 2208 MET cc_start: 0.9333 (OUTLIER) cc_final: 0.8985 (ttt) REVERT: B 2268 GLN cc_start: 0.7239 (OUTLIER) cc_final: 0.6563 (pm20) REVERT: B 2285 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.7993 (tm-30) REVERT: B 2318 TYR cc_start: 0.8189 (OUTLIER) cc_final: 0.7347 (m-10) REVERT: B 2331 TYR cc_start: 0.8261 (OUTLIER) cc_final: 0.7955 (m-80) REVERT: B 2364 PHE cc_start: 0.8609 (OUTLIER) cc_final: 0.8244 (m-80) REVERT: B 2447 LYS cc_start: 0.6945 (OUTLIER) cc_final: 0.6611 (tppp) REVERT: B 2735 PHE cc_start: 0.5835 (OUTLIER) cc_final: 0.5358 (m-80) REVERT: B 2871 LEU cc_start: -0.1975 (OUTLIER) cc_final: -0.2234 (tt) REVERT: B 2878 LEU cc_start: 0.8826 (tp) cc_final: 0.8520 (tp) REVERT: B 2886 TRP cc_start: 0.6842 (OUTLIER) cc_final: 0.6368 (m100) REVERT: B 3643 ASN cc_start: 0.9289 (OUTLIER) cc_final: 0.8950 (p0) REVERT: B 3655 GLU cc_start: 0.8491 (OUTLIER) cc_final: 0.8121 (pp20) REVERT: B 3658 LYS cc_start: 0.6486 (OUTLIER) cc_final: 0.5670 (mmtt) REVERT: B 3734 HIS cc_start: 0.8444 (OUTLIER) cc_final: 0.7818 (t70) REVERT: B 3764 LEU cc_start: 0.9622 (OUTLIER) cc_final: 0.9264 (mp) REVERT: B 3767 GLN cc_start: 0.9226 (OUTLIER) cc_final: 0.8734 (mt0) REVERT: B 3789 GLU cc_start: 0.8029 (OUTLIER) cc_final: 0.7692 (tm-30) REVERT: B 3949 ARG cc_start: 0.8577 (OUTLIER) cc_final: 0.8111 (ttm110) REVERT: B 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9306 (ttmt) REVERT: B 4032 GLU cc_start: 0.8924 (OUTLIER) cc_final: 0.8700 (tm-30) REVERT: B 4069 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.8956 (tptt) REVERT: B 4114 CYS cc_start: 0.9095 (OUTLIER) cc_final: 0.8750 (t) REVERT: B 4205 TRP cc_start: 0.9800 (OUTLIER) cc_final: 0.9529 (t-100) REVERT: B 4215 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.7923 (ttt180) REVERT: B 4634 GLU cc_start: 0.2912 (OUTLIER) cc_final: 0.2672 (tt0) REVERT: B 4679 ARG cc_start: 0.9287 (OUTLIER) cc_final: 0.8959 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7711 (OUTLIER) cc_final: 0.7410 (t0) REVERT: B 4743 MET cc_start: 0.8726 (mpp) cc_final: 0.8266 (mpp) REVERT: B 4809 PHE cc_start: 0.9198 (OUTLIER) cc_final: 0.8894 (m-10) REVERT: B 4849 TYR cc_start: 0.8979 (OUTLIER) cc_final: 0.7786 (t80) REVERT: B 4880 MET cc_start: 0.9486 (OUTLIER) cc_final: 0.8867 (tpp) REVERT: B 4973 HIS cc_start: 0.8363 (OUTLIER) cc_final: 0.7425 (m90) REVERT: B 4978 HIS cc_start: 0.7712 (OUTLIER) cc_final: 0.6854 (t-170) REVERT: B 5026 ASP cc_start: 0.9131 (OUTLIER) cc_final: 0.8720 (m-30) REVERT: C 15 ARG cc_start: 0.8269 (OUTLIER) cc_final: 0.7966 (ptm160) REVERT: C 23 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.8062 (mt0) REVERT: C 69 LEU cc_start: 0.8734 (OUTLIER) cc_final: 0.8331 (mp) REVERT: C 137 LEU cc_start: 0.9286 (OUTLIER) cc_final: 0.9003 (mp) REVERT: C 157 ARG cc_start: 0.8315 (OUTLIER) cc_final: 0.7791 (mmp80) REVERT: C 169 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8832 (pp) REVERT: C 202 MET cc_start: 0.8312 (tpp) cc_final: 0.8090 (tpp) REVERT: C 359 TYR cc_start: 0.9278 (OUTLIER) cc_final: 0.8874 (p90) REVERT: C 396 GLU cc_start: 0.9241 (OUTLIER) cc_final: 0.8950 (pm20) REVERT: C 443 LEU cc_start: 0.9000 (OUTLIER) cc_final: 0.8722 (tt) REVERT: C 445 LEU cc_start: 0.9657 (OUTLIER) cc_final: 0.9434 (mm) REVERT: C 451 TYR cc_start: 0.9675 (OUTLIER) cc_final: 0.9456 (t80) REVERT: C 462 GLU cc_start: 0.8495 (OUTLIER) cc_final: 0.7910 (pm20) REVERT: C 469 ARG cc_start: 0.8988 (OUTLIER) cc_final: 0.8699 (ttm-80) REVERT: C 478 PHE cc_start: 0.9294 (OUTLIER) cc_final: 0.9087 (t80) REVERT: C 534 ARG cc_start: 0.8769 (OUTLIER) cc_final: 0.7813 (tpt-90) REVERT: C 603 LEU cc_start: 0.9703 (OUTLIER) cc_final: 0.9301 (tt) REVERT: C 661 LYS cc_start: 0.9247 (OUTLIER) cc_final: 0.8908 (ptpt) REVERT: C 674 PHE cc_start: 0.9444 (OUTLIER) cc_final: 0.9213 (t80) REVERT: C 709 ASP cc_start: 0.8994 (OUTLIER) cc_final: 0.8722 (m-30) REVERT: C 800 PHE cc_start: 0.8909 (OUTLIER) cc_final: 0.8318 (t80) REVERT: C 821 LEU cc_start: 0.9523 (OUTLIER) cc_final: 0.9149 (tp) REVERT: C 880 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.6904 (tm-30) REVERT: C 884 LEU cc_start: 0.7212 (OUTLIER) cc_final: 0.6966 (tt) REVERT: C 910 PHE cc_start: 0.5499 (OUTLIER) cc_final: 0.4615 (m-10) REVERT: C 911 HIS cc_start: 0.7241 (OUTLIER) cc_final: 0.6597 (t-170) REVERT: C 1079 LYS cc_start: 0.9537 (OUTLIER) cc_final: 0.9284 (mtmt) REVERT: C 1180 ARG cc_start: 0.8708 (OUTLIER) cc_final: 0.7814 (mpp80) REVERT: C 1186 ASP cc_start: 0.8775 (OUTLIER) cc_final: 0.8454 (m-30) REVERT: C 1202 LEU cc_start: 0.9770 (OUTLIER) cc_final: 0.9386 (tp) REVERT: C 1221 GLU cc_start: 0.9241 (OUTLIER) cc_final: 0.9037 (tp30) REVERT: C 1230 MET cc_start: 0.8517 (OUTLIER) cc_final: 0.7995 (mmt) REVERT: C 1581 LEU cc_start: 0.8322 (OUTLIER) cc_final: 0.7783 (tt) REVERT: C 1601 MET cc_start: 0.8903 (OUTLIER) cc_final: 0.8439 (mmt) REVERT: C 1661 ARG cc_start: 0.9012 (OUTLIER) cc_final: 0.8804 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9326 (OUTLIER) cc_final: 0.8958 (tm130) REVERT: C 1720 LEU cc_start: 0.9338 (OUTLIER) cc_final: 0.9029 (pp) REVERT: C 1733 GLU cc_start: 0.8468 (OUTLIER) cc_final: 0.8031 (mm-30) REVERT: C 1854 PHE cc_start: 0.9289 (OUTLIER) cc_final: 0.8682 (m-80) REVERT: C 1858 ASP cc_start: 0.9039 (OUTLIER) cc_final: 0.8757 (m-30) REVERT: C 1973 GLN cc_start: 0.9308 (OUTLIER) cc_final: 0.8746 (tm-30) REVERT: C 2014 ASP cc_start: 0.5666 (OUTLIER) cc_final: 0.4563 (m-30) REVERT: C 2126 ARG cc_start: 0.9143 (OUTLIER) cc_final: 0.8715 (mtp85) REVERT: C 2140 ARG cc_start: 0.9268 (OUTLIER) cc_final: 0.7706 (mtp85) REVERT: C 2163 ARG cc_start: 0.9278 (OUTLIER) cc_final: 0.8595 (ttp80) REVERT: C 2208 MET cc_start: 0.9340 (OUTLIER) cc_final: 0.8985 (ttt) REVERT: C 2228 MET cc_start: 0.9233 (tpp) cc_final: 0.8860 (tpp) REVERT: C 2268 GLN cc_start: 0.7199 (OUTLIER) cc_final: 0.6580 (pm20) REVERT: C 2285 GLU cc_start: 0.8381 (OUTLIER) cc_final: 0.8011 (tm-30) REVERT: C 2318 TYR cc_start: 0.8081 (OUTLIER) cc_final: 0.7400 (m-10) REVERT: C 2364 PHE cc_start: 0.8620 (OUTLIER) cc_final: 0.8277 (m-80) REVERT: C 2447 LYS cc_start: 0.6916 (OUTLIER) cc_final: 0.6588 (tppp) REVERT: C 2735 PHE cc_start: 0.5769 (OUTLIER) cc_final: 0.5198 (m-80) REVERT: C 2807 TRP cc_start: 0.7304 (OUTLIER) cc_final: 0.6862 (p-90) REVERT: C 2871 LEU cc_start: -0.1970 (OUTLIER) cc_final: -0.2200 (tt) REVERT: C 2878 LEU cc_start: 0.8830 (tp) cc_final: 0.8520 (tp) REVERT: C 2886 TRP cc_start: 0.6920 (OUTLIER) cc_final: 0.6432 (m100) REVERT: C 3643 ASN cc_start: 0.9284 (OUTLIER) cc_final: 0.8928 (p0) REVERT: C 3655 GLU cc_start: 0.8491 (OUTLIER) cc_final: 0.8114 (pp20) REVERT: C 3658 LYS cc_start: 0.6545 (OUTLIER) cc_final: 0.5728 (mmtt) REVERT: C 3734 HIS cc_start: 0.8362 (OUTLIER) cc_final: 0.7768 (t70) REVERT: C 3764 LEU cc_start: 0.9628 (OUTLIER) cc_final: 0.9267 (mp) REVERT: C 3767 GLN cc_start: 0.9232 (OUTLIER) cc_final: 0.8723 (mt0) REVERT: C 3789 GLU cc_start: 0.8067 (OUTLIER) cc_final: 0.7720 (tm-30) REVERT: C 3959 LYS cc_start: 0.9570 (OUTLIER) cc_final: 0.9312 (ttmt) REVERT: C 4067 LYS cc_start: 0.8308 (mttt) cc_final: 0.8052 (mttt) REVERT: C 4069 LYS cc_start: 0.9400 (OUTLIER) cc_final: 0.8968 (tptt) REVERT: C 4114 CYS cc_start: 0.9130 (OUTLIER) cc_final: 0.8780 (t) REVERT: C 4215 ARG cc_start: 0.8619 (OUTLIER) cc_final: 0.8043 (tpt170) REVERT: C 4679 ARG cc_start: 0.9297 (OUTLIER) cc_final: 0.9048 (mtt-85) REVERT: C 4743 MET cc_start: 0.8732 (mpp) cc_final: 0.8284 (mpp) REVERT: C 4806 ASN cc_start: 0.8534 (OUTLIER) cc_final: 0.8146 (p0) REVERT: C 4809 PHE cc_start: 0.9123 (OUTLIER) cc_final: 0.8912 (m-10) REVERT: C 4879 MET cc_start: 0.9147 (pmm) cc_final: 0.8874 (pmm) REVERT: C 4973 HIS cc_start: 0.8244 (OUTLIER) cc_final: 0.6727 (m-70) REVERT: C 4978 HIS cc_start: 0.7669 (OUTLIER) cc_final: 0.6995 (t-170) REVERT: C 5026 ASP cc_start: 0.9135 (OUTLIER) cc_final: 0.8739 (m-30) REVERT: D 15 ARG cc_start: 0.8347 (OUTLIER) cc_final: 0.8029 (ptm160) REVERT: D 69 LEU cc_start: 0.8768 (OUTLIER) cc_final: 0.8350 (mp) REVERT: D 125 ARG cc_start: 0.8234 (OUTLIER) cc_final: 0.8032 (ptm-80) REVERT: D 137 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.8983 (mp) REVERT: D 157 ARG cc_start: 0.8353 (OUTLIER) cc_final: 0.7978 (mmp80) REVERT: D 202 MET cc_start: 0.8315 (tpp) cc_final: 0.8088 (tpp) REVERT: D 396 GLU cc_start: 0.9217 (OUTLIER) cc_final: 0.8922 (pm20) REVERT: D 443 LEU cc_start: 0.8999 (OUTLIER) cc_final: 0.8700 (tt) REVERT: D 462 GLU cc_start: 0.8499 (OUTLIER) cc_final: 0.7941 (pm20) REVERT: D 478 PHE cc_start: 0.9319 (OUTLIER) cc_final: 0.8698 (t80) REVERT: D 534 ARG cc_start: 0.8875 (OUTLIER) cc_final: 0.8055 (tpt-90) REVERT: D 634 GLN cc_start: 0.9212 (OUTLIER) cc_final: 0.8695 (mm-40) REVERT: D 661 LYS cc_start: 0.9244 (OUTLIER) cc_final: 0.8942 (ptpt) REVERT: D 800 PHE cc_start: 0.8995 (OUTLIER) cc_final: 0.8300 (t80) REVERT: D 813 GLU cc_start: 0.7119 (OUTLIER) cc_final: 0.6131 (tp30) REVERT: D 880 GLU cc_start: 0.7492 (OUTLIER) cc_final: 0.6636 (tm-30) REVERT: D 911 HIS cc_start: 0.6970 (OUTLIER) cc_final: 0.6617 (t70) REVERT: D 1180 ARG cc_start: 0.8724 (OUTLIER) cc_final: 0.7783 (mpp80) REVERT: D 1186 ASP cc_start: 0.8772 (OUTLIER) cc_final: 0.8487 (m-30) REVERT: D 1202 LEU cc_start: 0.9786 (OUTLIER) cc_final: 0.9394 (tp) REVERT: D 1230 MET cc_start: 0.8452 (OUTLIER) cc_final: 0.7927 (mmt) REVERT: D 1274 HIS cc_start: 0.9357 (OUTLIER) cc_final: 0.8926 (t-170) REVERT: D 1720 LEU cc_start: 0.9286 (OUTLIER) cc_final: 0.8941 (pp) REVERT: D 1733 GLU cc_start: 0.8471 (OUTLIER) cc_final: 0.8047 (mm-30) REVERT: D 1854 PHE cc_start: 0.9295 (OUTLIER) cc_final: 0.8667 (m-80) REVERT: D 1973 GLN cc_start: 0.9309 (OUTLIER) cc_final: 0.8739 (tm-30) REVERT: D 2014 ASP cc_start: 0.5624 (OUTLIER) cc_final: 0.4505 (m-30) REVERT: D 2104 ARG cc_start: 0.9013 (OUTLIER) cc_final: 0.8734 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8719 (mtp85) REVERT: D 2140 ARG cc_start: 0.9277 (OUTLIER) cc_final: 0.7776 (mtp85) REVERT: D 2163 ARG cc_start: 0.9270 (OUTLIER) cc_final: 0.8592 (ttp80) REVERT: D 2208 MET cc_start: 0.9338 (OUTLIER) cc_final: 0.9025 (ttt) REVERT: D 2228 MET cc_start: 0.8934 (tpp) cc_final: 0.8663 (tpp) REVERT: D 2268 GLN cc_start: 0.7252 (OUTLIER) cc_final: 0.6624 (pm20) REVERT: D 2285 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8025 (tm-30) REVERT: D 2318 TYR cc_start: 0.8142 (OUTLIER) cc_final: 0.7440 (m-10) REVERT: D 2331 TYR cc_start: 0.8351 (OUTLIER) cc_final: 0.8087 (m-80) REVERT: D 2364 PHE cc_start: 0.8719 (OUTLIER) cc_final: 0.8329 (m-80) REVERT: D 2447 LYS cc_start: 0.6957 (OUTLIER) cc_final: 0.6648 (tppp) REVERT: D 2735 PHE cc_start: 0.5838 (OUTLIER) cc_final: 0.5276 (m-80) REVERT: D 2871 LEU cc_start: -0.2250 (OUTLIER) cc_final: -0.2553 (tt) REVERT: D 2878 LEU cc_start: 0.8815 (tp) cc_final: 0.8516 (tp) REVERT: D 2886 TRP cc_start: 0.6878 (OUTLIER) cc_final: 0.6363 (m100) REVERT: D 3643 ASN cc_start: 0.9331 (OUTLIER) cc_final: 0.8998 (p0) REVERT: D 3655 GLU cc_start: 0.8501 (OUTLIER) cc_final: 0.8128 (pp20) REVERT: D 3658 LYS cc_start: 0.6595 (OUTLIER) cc_final: 0.5781 (mmtt) REVERT: D 3734 HIS cc_start: 0.8424 (OUTLIER) cc_final: 0.7791 (t70) REVERT: D 3764 LEU cc_start: 0.9618 (OUTLIER) cc_final: 0.9247 (mp) REVERT: D 3767 GLN cc_start: 0.9261 (OUTLIER) cc_final: 0.8782 (mt0) REVERT: D 3789 GLU cc_start: 0.8097 (OUTLIER) cc_final: 0.7735 (tm-30) REVERT: D 3959 LYS cc_start: 0.9567 (OUTLIER) cc_final: 0.9327 (ttmt) REVERT: D 4067 LYS cc_start: 0.8339 (mttt) cc_final: 0.8091 (mttt) REVERT: D 4069 LYS cc_start: 0.9404 (OUTLIER) cc_final: 0.8969 (tptt) REVERT: D 4114 CYS cc_start: 0.9040 (OUTLIER) cc_final: 0.8706 (t) REVERT: D 4205 TRP cc_start: 0.9808 (OUTLIER) cc_final: 0.9483 (t-100) REVERT: D 4215 ARG cc_start: 0.8583 (OUTLIER) cc_final: 0.7607 (ttt180) REVERT: D 4634 GLU cc_start: 0.3173 (OUTLIER) cc_final: 0.2947 (tt0) REVERT: D 4679 ARG cc_start: 0.9292 (OUTLIER) cc_final: 0.8991 (mtt-85) REVERT: D 4743 MET cc_start: 0.8745 (mpp) cc_final: 0.8283 (mpp) REVERT: D 4806 ASN cc_start: 0.8543 (OUTLIER) cc_final: 0.8185 (p0) REVERT: D 4877 ASP cc_start: 0.8009 (OUTLIER) cc_final: 0.7605 (m-30) REVERT: D 4879 MET cc_start: 0.9193 (pmm) cc_final: 0.8933 (pmm) REVERT: D 4973 HIS cc_start: 0.8272 (OUTLIER) cc_final: 0.6736 (m-70) REVERT: D 4978 HIS cc_start: 0.7890 (OUTLIER) cc_final: 0.7220 (t-170) REVERT: D 5026 ASP cc_start: 0.9130 (OUTLIER) cc_final: 0.8770 (m-30) outliers start: 2900 outliers final: 2161 residues processed: 3277 average time/residue: 0.8718 time to fit residues: 5148.4113 Evaluate side-chains 2967 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2421 poor density : 546 time to evaluate : 8.864 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 127 MET Chi-restraints excluded: chain A residue 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 207 SER 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 379 HIS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 451 TYR Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR 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 647 ASN Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 683 ARG 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 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 820 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 901 LYS Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 911 HIS Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 938 HIS Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU 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 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1854 PHE Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2014 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2753 SER Chi-restraints excluded: chain A residue 2755 ILE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2769 ASP Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2788 HIS Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU 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 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS 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 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3749 VAL Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3841 VAL Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4177 TYR 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4772 ASP 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 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 LEU Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4931 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 207 SER 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 273 HIS Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 544 LEU Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 596 ASN Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 639 ASN 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 659 TYR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 901 LYS Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 947 GLU Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1180 ARG Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU 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 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1854 PHE Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2176 ASN Chi-restraints excluded: chain B residue 2182 ILE Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2319 PRO Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2753 SER Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2769 ASP Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER 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 2871 LEU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2886 TRP Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4177 TYR 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4769 MET Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4809 PHE Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 LEU 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 4839 MET Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4938 ASP Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4969 ASP Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 207 SER Chi-restraints excluded: chain C residue 215 THR 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 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR 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 647 ASN Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 901 LYS Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 911 HIS Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1176 GLU Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1186 ASP Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1194 LEU Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1854 PHE Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2014 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 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 2255 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2318 TYR Chi-restraints excluded: chain C residue 2319 PRO Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2753 SER Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2871 LEU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2886 TRP Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3749 VAL Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4207 MET Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4215 ARG Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4809 PHE Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 LEU Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 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 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 62 LEU Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 127 MET Chi-restraints excluded: chain D residue 129 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 273 HIS Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 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 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 379 HIS Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 661 LYS Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 820 ARG Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 901 LYS Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 938 HIS Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1134 LEU Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1854 PHE Chi-restraints excluded: chain D residue 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2014 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2176 ASN Chi-restraints excluded: chain D residue 2182 ILE Chi-restraints excluded: chain D residue 2184 ASN 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 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2425 PHE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2753 SER Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2788 HIS Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2805 TYR Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2886 TRP Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3749 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4177 TYR Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4732 PHE Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4769 MET Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 LEU 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 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5011 TRP Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 226 HIS ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4973 HIS ** B 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1691 GLN ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 44 ASN D 226 HIS ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2788 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4973 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8568 moved from start: 0.9700 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.366 119312 Z= 3.292 Angle : 3.098 33.783 162720 Z= 1.544 Chirality : 0.139 0.660 19040 Planarity : 0.019 0.232 21416 Dihedral : 14.280 176.373 17649 Min Nonbonded Distance : 1.305 Molprobity Statistics. All-atom Clashscore : 97.98 Ramachandran Plot: Outliers : 2.26 % Allowed : 36.51 % Favored : 61.24 % Rotamer: Outliers : 28.82 % Allowed : 26.15 % Favored : 45.03 % Cbeta Deviations : 0.34 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 7.73 % Twisted General : 3.78 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.32 (0.04), residues: 12808 helix: -4.55 (0.03), residues: 5924 sheet: -4.27 (0.12), residues: 1140 loop : -5.34 (0.05), residues: 5744 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.086 0.009 TRP C4205 HIS 0.050 0.007 HIS B 502 PHE 0.109 0.010 PHE C4195 TYR 0.102 0.009 TYR D 829 ARG 0.058 0.003 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3456 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2897 poor density : 559 time to evaluate : 9.029 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 15 ARG cc_start: 0.8366 (OUTLIER) cc_final: 0.8053 (ptm160) REVERT: A 23 GLN cc_start: 0.8355 (OUTLIER) cc_final: 0.8082 (mt0) REVERT: A 69 LEU cc_start: 0.8811 (OUTLIER) cc_final: 0.8407 (mp) REVERT: A 137 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.9070 (mp) REVERT: A 157 ARG cc_start: 0.8363 (OUTLIER) cc_final: 0.7869 (mmp80) REVERT: A 202 MET cc_start: 0.8322 (tpp) cc_final: 0.8106 (tpp) REVERT: A 381 GLU cc_start: 0.9382 (OUTLIER) cc_final: 0.9149 (pm20) REVERT: A 384 MET cc_start: 0.8517 (pmm) cc_final: 0.8246 (pmm) REVERT: A 396 GLU cc_start: 0.9231 (OUTLIER) cc_final: 0.8952 (pm20) REVERT: A 421 PHE cc_start: 0.8555 (OUTLIER) cc_final: 0.6954 (p90) REVERT: A 443 LEU cc_start: 0.8984 (OUTLIER) cc_final: 0.8700 (tt) REVERT: A 462 GLU cc_start: 0.8503 (OUTLIER) cc_final: 0.7974 (pm20) REVERT: A 474 ARG cc_start: 0.9477 (OUTLIER) cc_final: 0.9163 (ttp-170) REVERT: A 478 PHE cc_start: 0.9297 (OUTLIER) cc_final: 0.9043 (t80) REVERT: A 552 ASP cc_start: 0.8431 (OUTLIER) cc_final: 0.8132 (m-30) REVERT: A 634 GLN cc_start: 0.9227 (OUTLIER) cc_final: 0.8730 (mm-40) REVERT: A 661 LYS cc_start: 0.9238 (OUTLIER) cc_final: 0.8918 (ptpt) REVERT: A 674 PHE cc_start: 0.9446 (OUTLIER) cc_final: 0.9216 (t80) REVERT: A 709 ASP cc_start: 0.8984 (OUTLIER) cc_final: 0.8704 (m-30) REVERT: A 800 PHE cc_start: 0.8934 (OUTLIER) cc_final: 0.8420 (t80) REVERT: A 818 ARG cc_start: 0.8686 (OUTLIER) cc_final: 0.8023 (ptp-170) REVERT: A 835 ARG cc_start: 0.7854 (OUTLIER) cc_final: 0.7314 (ptm160) REVERT: A 880 GLU cc_start: 0.7468 (OUTLIER) cc_final: 0.6851 (tm-30) REVERT: A 911 HIS cc_start: 0.6646 (OUTLIER) cc_final: 0.6151 (t-170) REVERT: A 947 GLU cc_start: 0.1426 (OUTLIER) cc_final: 0.0815 (mt-10) REVERT: A 1079 LYS cc_start: 0.9542 (OUTLIER) cc_final: 0.9299 (mtmt) REVERT: A 1180 ARG cc_start: 0.8790 (OUTLIER) cc_final: 0.8023 (mpp80) REVERT: A 1186 ASP cc_start: 0.8784 (OUTLIER) cc_final: 0.8494 (m-30) REVERT: A 1202 LEU cc_start: 0.9778 (OUTLIER) cc_final: 0.9362 (tp) REVERT: A 1221 GLU cc_start: 0.9222 (OUTLIER) cc_final: 0.9012 (tp30) REVERT: A 1274 HIS cc_start: 0.9396 (OUTLIER) cc_final: 0.9049 (t-170) REVERT: A 1720 LEU cc_start: 0.9319 (OUTLIER) cc_final: 0.8979 (pp) REVERT: A 1733 GLU cc_start: 0.8467 (OUTLIER) cc_final: 0.8011 (mm-30) REVERT: A 1973 GLN cc_start: 0.9365 (OUTLIER) cc_final: 0.8699 (tm-30) REVERT: A 2014 ASP cc_start: 0.5714 (OUTLIER) cc_final: 0.4690 (m-30) REVERT: A 2126 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8716 (mtp85) REVERT: A 2140 ARG cc_start: 0.9269 (OUTLIER) cc_final: 0.7735 (mtp85) REVERT: A 2163 ARG cc_start: 0.9267 (OUTLIER) cc_final: 0.8547 (ttp80) REVERT: A 2208 MET cc_start: 0.9319 (OUTLIER) cc_final: 0.8996 (ttt) REVERT: A 2228 MET cc_start: 0.9087 (tpp) cc_final: 0.8867 (tpp) REVERT: A 2268 GLN cc_start: 0.7275 (OUTLIER) cc_final: 0.6619 (pm20) REVERT: A 2285 GLU cc_start: 0.8359 (OUTLIER) cc_final: 0.8009 (tm-30) REVERT: A 2318 TYR cc_start: 0.8214 (OUTLIER) cc_final: 0.7419 (m-10) REVERT: A 2331 TYR cc_start: 0.8270 (OUTLIER) cc_final: 0.7959 (m-80) REVERT: A 2364 PHE cc_start: 0.8606 (OUTLIER) cc_final: 0.8213 (m-80) REVERT: A 2447 LYS cc_start: 0.6953 (OUTLIER) cc_final: 0.6551 (tppp) REVERT: A 2735 PHE cc_start: 0.6124 (OUTLIER) cc_final: 0.5383 (m-80) REVERT: A 2765 LYS cc_start: 0.3576 (OUTLIER) cc_final: 0.3016 (mmmt) REVERT: A 2871 LEU cc_start: -0.2250 (OUTLIER) cc_final: -0.2575 (tt) REVERT: A 2878 LEU cc_start: 0.8837 (tp) cc_final: 0.8491 (tp) REVERT: A 3643 ASN cc_start: 0.9309 (OUTLIER) cc_final: 0.9000 (p0) REVERT: A 3655 GLU cc_start: 0.8397 (OUTLIER) cc_final: 0.8036 (pp20) REVERT: A 3658 LYS cc_start: 0.6255 (OUTLIER) cc_final: 0.5525 (mmtt) REVERT: A 3734 HIS cc_start: 0.8402 (OUTLIER) cc_final: 0.7838 (t70) REVERT: A 3764 LEU cc_start: 0.9612 (OUTLIER) cc_final: 0.9258 (mp) REVERT: A 3767 GLN cc_start: 0.9278 (OUTLIER) cc_final: 0.8818 (mt0) REVERT: A 3789 GLU cc_start: 0.8008 (OUTLIER) cc_final: 0.7651 (tm-30) REVERT: A 3959 LYS cc_start: 0.9574 (OUTLIER) cc_final: 0.9346 (ttmt) REVERT: A 4032 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.8678 (tm-30) REVERT: A 4069 LYS cc_start: 0.9416 (OUTLIER) cc_final: 0.8992 (tptt) REVERT: A 4114 CYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8739 (t) REVERT: A 4205 TRP cc_start: 0.9807 (OUTLIER) cc_final: 0.9566 (t-100) REVERT: A 4207 MET cc_start: 0.9061 (mmm) cc_final: 0.8846 (mmm) REVERT: A 4215 ARG cc_start: 0.8523 (OUTLIER) cc_final: 0.7743 (ttt180) REVERT: A 4634 GLU cc_start: 0.3044 (OUTLIER) cc_final: 0.2711 (tt0) REVERT: A 4679 ARG cc_start: 0.9287 (OUTLIER) cc_final: 0.8977 (mtt-85) REVERT: A 4743 MET cc_start: 0.8812 (mpp) cc_final: 0.8454 (mpp) REVERT: A 4769 MET cc_start: 0.7036 (ttm) cc_final: 0.6806 (ttp) REVERT: A 4806 ASN cc_start: 0.8643 (OUTLIER) cc_final: 0.8389 (p0) REVERT: A 4897 ILE cc_start: 0.8393 (OUTLIER) cc_final: 0.8173 (tp) REVERT: A 4900 GLU cc_start: 0.7796 (OUTLIER) cc_final: 0.7550 (tm-30) REVERT: A 4973 HIS cc_start: 0.8243 (OUTLIER) cc_final: 0.6639 (m-70) REVERT: A 4978 HIS cc_start: 0.7342 (OUTLIER) cc_final: 0.6771 (t-170) REVERT: A 5026 ASP cc_start: 0.9162 (OUTLIER) cc_final: 0.8801 (m-30) REVERT: B 15 ARG cc_start: 0.8263 (OUTLIER) cc_final: 0.7931 (ptm160) REVERT: B 137 LEU cc_start: 0.9327 (OUTLIER) cc_final: 0.9058 (mp) REVERT: B 157 ARG cc_start: 0.8372 (OUTLIER) cc_final: 0.7866 (mmp80) REVERT: B 202 MET cc_start: 0.8349 (tpp) cc_final: 0.8140 (tpp) REVERT: B 384 MET cc_start: 0.8581 (pmm) cc_final: 0.8351 (pmm) REVERT: B 396 GLU cc_start: 0.9227 (OUTLIER) cc_final: 0.8924 (pm20) REVERT: B 421 PHE cc_start: 0.8518 (OUTLIER) cc_final: 0.6901 (p90) REVERT: B 443 LEU cc_start: 0.9010 (OUTLIER) cc_final: 0.8730 (tt) REVERT: B 445 LEU cc_start: 0.9642 (OUTLIER) cc_final: 0.9424 (mm) REVERT: B 462 GLU cc_start: 0.8541 (OUTLIER) cc_final: 0.7981 (pm20) REVERT: B 469 ARG cc_start: 0.8954 (OUTLIER) cc_final: 0.8685 (ttm-80) REVERT: B 474 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9220 (ttp-110) REVERT: B 483 MET cc_start: 0.8655 (tpp) cc_final: 0.8439 (tpp) REVERT: B 534 ARG cc_start: 0.8849 (OUTLIER) cc_final: 0.7996 (tpt-90) REVERT: B 603 LEU cc_start: 0.9698 (OUTLIER) cc_final: 0.9304 (tt) REVERT: B 661 LYS cc_start: 0.9237 (OUTLIER) cc_final: 0.8892 (ptpt) REVERT: B 674 PHE cc_start: 0.9440 (OUTLIER) cc_final: 0.9206 (t80) REVERT: B 683 ARG cc_start: 0.9582 (OUTLIER) cc_final: 0.9159 (mtt180) REVERT: B 800 PHE cc_start: 0.8914 (OUTLIER) cc_final: 0.8408 (t80) REVERT: B 818 ARG cc_start: 0.8622 (OUTLIER) cc_final: 0.8066 (ptp-170) REVERT: B 821 LEU cc_start: 0.9553 (OUTLIER) cc_final: 0.9201 (tp) REVERT: B 835 ARG cc_start: 0.7952 (OUTLIER) cc_final: 0.7379 (ptm160) REVERT: B 880 GLU cc_start: 0.7397 (OUTLIER) cc_final: 0.6734 (tm-30) REVERT: B 1079 LYS cc_start: 0.9545 (OUTLIER) cc_final: 0.9300 (mtmt) REVERT: B 1186 ASP cc_start: 0.8794 (OUTLIER) cc_final: 0.8482 (m-30) REVERT: B 1202 LEU cc_start: 0.9794 (OUTLIER) cc_final: 0.9390 (tp) REVERT: B 1224 GLU cc_start: 0.7319 (OUTLIER) cc_final: 0.6987 (mm-30) REVERT: B 1230 MET cc_start: 0.8505 (OUTLIER) cc_final: 0.8124 (mmt) REVERT: B 1733 GLU cc_start: 0.8472 (OUTLIER) cc_final: 0.8127 (mm-30) REVERT: B 1973 GLN cc_start: 0.9361 (OUTLIER) cc_final: 0.8696 (tm-30) REVERT: B 2126 ARG cc_start: 0.9143 (OUTLIER) cc_final: 0.8719 (mtp85) REVERT: B 2140 ARG cc_start: 0.9263 (OUTLIER) cc_final: 0.7718 (mtp85) REVERT: B 2208 MET cc_start: 0.9327 (OUTLIER) cc_final: 0.8978 (ttt) REVERT: B 2228 MET cc_start: 0.9126 (tpp) cc_final: 0.8917 (tpp) REVERT: B 2268 GLN cc_start: 0.7254 (OUTLIER) cc_final: 0.6587 (pm20) REVERT: B 2285 GLU cc_start: 0.8341 (OUTLIER) cc_final: 0.8003 (tm-30) REVERT: B 2318 TYR cc_start: 0.8171 (OUTLIER) cc_final: 0.7322 (m-10) REVERT: B 2331 TYR cc_start: 0.8257 (OUTLIER) cc_final: 0.7944 (m-80) REVERT: B 2364 PHE cc_start: 0.8593 (OUTLIER) cc_final: 0.8228 (m-80) REVERT: B 2447 LYS cc_start: 0.6988 (OUTLIER) cc_final: 0.6530 (tppp) REVERT: B 2735 PHE cc_start: 0.6052 (OUTLIER) cc_final: 0.5369 (m-80) REVERT: B 2765 LYS cc_start: 0.3467 (OUTLIER) cc_final: 0.2847 (mmmt) REVERT: B 2788 HIS cc_start: 0.2448 (OUTLIER) cc_final: 0.0569 (p-80) REVERT: B 2878 LEU cc_start: 0.8844 (tp) cc_final: 0.8511 (tp) REVERT: B 3643 ASN cc_start: 0.9281 (OUTLIER) cc_final: 0.8959 (p0) REVERT: B 3655 GLU cc_start: 0.8511 (OUTLIER) cc_final: 0.8095 (pp20) REVERT: B 3658 LYS cc_start: 0.6268 (OUTLIER) cc_final: 0.5604 (mmtt) REVERT: B 3734 HIS cc_start: 0.8400 (OUTLIER) cc_final: 0.7826 (t70) REVERT: B 3764 LEU cc_start: 0.9620 (OUTLIER) cc_final: 0.9251 (mp) REVERT: B 3767 GLN cc_start: 0.9273 (OUTLIER) cc_final: 0.8815 (mt0) REVERT: B 3789 GLU cc_start: 0.8027 (OUTLIER) cc_final: 0.7648 (tm-30) REVERT: B 3949 ARG cc_start: 0.8585 (OUTLIER) cc_final: 0.8121 (ttm110) REVERT: B 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9311 (ttmt) REVERT: B 4032 GLU cc_start: 0.8968 (OUTLIER) cc_final: 0.8727 (tm-30) REVERT: B 4069 LYS cc_start: 0.9399 (OUTLIER) cc_final: 0.8944 (tptt) REVERT: B 4114 CYS cc_start: 0.9105 (OUTLIER) cc_final: 0.8758 (t) REVERT: B 4205 TRP cc_start: 0.9798 (OUTLIER) cc_final: 0.9532 (t-100) REVERT: B 4215 ARG cc_start: 0.8438 (OUTLIER) cc_final: 0.7960 (ttt180) REVERT: B 4679 ARG cc_start: 0.9271 (OUTLIER) cc_final: 0.8963 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7733 (OUTLIER) cc_final: 0.7463 (t0) REVERT: B 4743 MET cc_start: 0.8810 (mpp) cc_final: 0.8444 (mpp) REVERT: B 4806 ASN cc_start: 0.8513 (OUTLIER) cc_final: 0.8227 (p0) REVERT: B 4809 PHE cc_start: 0.9156 (OUTLIER) cc_final: 0.8928 (m-10) REVERT: B 4880 MET cc_start: 0.9492 (OUTLIER) cc_final: 0.8876 (tpp) REVERT: B 4973 HIS cc_start: 0.8502 (OUTLIER) cc_final: 0.7491 (m90) REVERT: B 4978 HIS cc_start: 0.7717 (OUTLIER) cc_final: 0.6784 (t-170) REVERT: B 5026 ASP cc_start: 0.9138 (OUTLIER) cc_final: 0.8727 (m-30) REVERT: C 15 ARG cc_start: 0.8405 (OUTLIER) cc_final: 0.8068 (ptm160) REVERT: C 23 GLN cc_start: 0.8341 (OUTLIER) cc_final: 0.8075 (mt0) REVERT: C 69 LEU cc_start: 0.8798 (OUTLIER) cc_final: 0.8400 (mp) REVERT: C 121 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8700 (mp) REVERT: C 137 LEU cc_start: 0.9336 (OUTLIER) cc_final: 0.9067 (mp) REVERT: C 157 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.7962 (mmp80) REVERT: C 161 GLU cc_start: 0.8859 (OUTLIER) cc_final: 0.8517 (pt0) REVERT: C 169 LEU cc_start: 0.8996 (OUTLIER) cc_final: 0.8757 (pp) REVERT: C 202 MET cc_start: 0.8364 (tpp) cc_final: 0.8148 (tpp) REVERT: C 359 TYR cc_start: 0.9245 (OUTLIER) cc_final: 0.8700 (p90) REVERT: C 381 GLU cc_start: 0.9368 (OUTLIER) cc_final: 0.9146 (pm20) REVERT: C 396 GLU cc_start: 0.9238 (OUTLIER) cc_final: 0.8954 (pm20) REVERT: C 443 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8740 (tt) REVERT: C 445 LEU cc_start: 0.9650 (OUTLIER) cc_final: 0.9430 (mm) REVERT: C 451 TYR cc_start: 0.9681 (OUTLIER) cc_final: 0.9417 (t80) REVERT: C 462 GLU cc_start: 0.8546 (OUTLIER) cc_final: 0.7991 (pm20) REVERT: C 469 ARG cc_start: 0.8954 (OUTLIER) cc_final: 0.8714 (ttm-80) REVERT: C 534 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.7795 (tpt-90) REVERT: C 603 LEU cc_start: 0.9704 (OUTLIER) cc_final: 0.9264 (tt) REVERT: C 659 TYR cc_start: 0.8129 (OUTLIER) cc_final: 0.7893 (t80) REVERT: C 661 LYS cc_start: 0.9248 (OUTLIER) cc_final: 0.8897 (ptpt) REVERT: C 674 PHE cc_start: 0.9454 (OUTLIER) cc_final: 0.9211 (t80) REVERT: C 725 HIS cc_start: 0.9319 (OUTLIER) cc_final: 0.8107 (t-90) REVERT: C 758 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7312 (mmm-85) REVERT: C 800 PHE cc_start: 0.8911 (OUTLIER) cc_final: 0.8316 (t80) REVERT: C 818 ARG cc_start: 0.8580 (OUTLIER) cc_final: 0.8133 (ptp-170) REVERT: C 835 ARG cc_start: 0.7831 (OUTLIER) cc_final: 0.7300 (ptm160) REVERT: C 880 GLU cc_start: 0.7389 (OUTLIER) cc_final: 0.6826 (tm-30) REVERT: C 884 LEU cc_start: 0.7333 (OUTLIER) cc_final: 0.7088 (tt) REVERT: C 947 GLU cc_start: 0.1247 (OUTLIER) cc_final: 0.0758 (mt-10) REVERT: C 1079 LYS cc_start: 0.9553 (OUTLIER) cc_final: 0.9305 (mtmt) REVERT: C 1180 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.8032 (mpp80) REVERT: C 1202 LEU cc_start: 0.9770 (OUTLIER) cc_final: 0.9382 (tp) REVERT: C 1221 GLU cc_start: 0.9247 (OUTLIER) cc_final: 0.9033 (tp30) REVERT: C 1230 MET cc_start: 0.8499 (OUTLIER) cc_final: 0.8055 (mmt) REVERT: C 1601 MET cc_start: 0.8904 (OUTLIER) cc_final: 0.8445 (mmt) REVERT: C 1661 ARG cc_start: 0.9014 (OUTLIER) cc_final: 0.8800 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9350 (OUTLIER) cc_final: 0.8949 (tm130) REVERT: C 1720 LEU cc_start: 0.9324 (OUTLIER) cc_final: 0.9032 (pp) REVERT: C 1733 GLU cc_start: 0.8470 (OUTLIER) cc_final: 0.8020 (mm-30) REVERT: C 1858 ASP cc_start: 0.9044 (OUTLIER) cc_final: 0.8747 (m-30) REVERT: C 1973 GLN cc_start: 0.9365 (OUTLIER) cc_final: 0.8692 (tm-30) REVERT: C 2126 ARG cc_start: 0.9141 (OUTLIER) cc_final: 0.8721 (mtp85) REVERT: C 2140 ARG cc_start: 0.9269 (OUTLIER) cc_final: 0.7719 (mtp85) REVERT: C 2208 MET cc_start: 0.9329 (OUTLIER) cc_final: 0.8986 (ttt) REVERT: C 2228 MET cc_start: 0.9233 (tpp) cc_final: 0.8901 (tpp) REVERT: C 2268 GLN cc_start: 0.7075 (OUTLIER) cc_final: 0.6452 (pm20) REVERT: C 2285 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.8129 (tm-30) REVERT: C 2318 TYR cc_start: 0.8106 (OUTLIER) cc_final: 0.7574 (m-10) REVERT: C 2360 LYS cc_start: 0.9238 (OUTLIER) cc_final: 0.8973 (mmtm) REVERT: C 2364 PHE cc_start: 0.8691 (OUTLIER) cc_final: 0.8319 (m-80) REVERT: C 2447 LYS cc_start: 0.6928 (OUTLIER) cc_final: 0.6479 (tppp) REVERT: C 2735 PHE cc_start: 0.6041 (OUTLIER) cc_final: 0.5377 (m-80) REVERT: C 2768 PHE cc_start: 0.4136 (OUTLIER) cc_final: 0.0877 (t80) REVERT: C 2788 HIS cc_start: 0.1970 (OUTLIER) cc_final: -0.0270 (p-80) REVERT: C 2807 TRP cc_start: 0.7416 (OUTLIER) cc_final: 0.7013 (p-90) REVERT: C 2878 LEU cc_start: 0.8906 (tp) cc_final: 0.8577 (tp) REVERT: C 3643 ASN cc_start: 0.9279 (OUTLIER) cc_final: 0.8959 (p0) REVERT: C 3655 GLU cc_start: 0.8489 (OUTLIER) cc_final: 0.8103 (pp20) REVERT: C 3658 LYS cc_start: 0.6227 (OUTLIER) cc_final: 0.5556 (mmtt) REVERT: C 3734 HIS cc_start: 0.8404 (OUTLIER) cc_final: 0.7832 (t70) REVERT: C 3764 LEU cc_start: 0.9622 (OUTLIER) cc_final: 0.9265 (mp) REVERT: C 3767 GLN cc_start: 0.9262 (OUTLIER) cc_final: 0.8773 (mt0) REVERT: C 3789 GLU cc_start: 0.8008 (OUTLIER) cc_final: 0.7665 (tm-30) REVERT: C 3959 LYS cc_start: 0.9570 (OUTLIER) cc_final: 0.9323 (ttmt) REVERT: C 4069 LYS cc_start: 0.9400 (OUTLIER) cc_final: 0.8951 (tptt) REVERT: C 4114 CYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8763 (t) REVERT: C 4205 TRP cc_start: 0.9799 (OUTLIER) cc_final: 0.9480 (t-100) REVERT: C 4634 GLU cc_start: 0.3170 (OUTLIER) cc_final: 0.2885 (tt0) REVERT: C 4679 ARG cc_start: 0.9283 (OUTLIER) cc_final: 0.8952 (mtt-85) REVERT: C 4737 ILE cc_start: 0.9097 (OUTLIER) cc_final: 0.8875 (tp) REVERT: C 4743 MET cc_start: 0.8809 (mpp) cc_final: 0.8449 (mpp) REVERT: C 4769 MET cc_start: 0.7086 (ttm) cc_final: 0.6869 (ttp) REVERT: C 4806 ASN cc_start: 0.8517 (OUTLIER) cc_final: 0.8260 (p0) REVERT: C 4879 MET cc_start: 0.9147 (pmm) cc_final: 0.8887 (pmm) REVERT: C 4886 HIS cc_start: 0.8508 (OUTLIER) cc_final: 0.7866 (m170) REVERT: C 4897 ILE cc_start: 0.8432 (OUTLIER) cc_final: 0.8072 (tp) REVERT: C 4900 GLU cc_start: 0.7637 (OUTLIER) cc_final: 0.7411 (tm-30) REVERT: C 4973 HIS cc_start: 0.8316 (OUTLIER) cc_final: 0.6779 (m-70) REVERT: C 4978 HIS cc_start: 0.7641 (OUTLIER) cc_final: 0.6943 (t-170) REVERT: D 15 ARG cc_start: 0.8352 (OUTLIER) cc_final: 0.8025 (ptm160) REVERT: D 23 GLN cc_start: 0.8270 (OUTLIER) cc_final: 0.8010 (mt0) REVERT: D 69 LEU cc_start: 0.8799 (OUTLIER) cc_final: 0.8382 (mp) REVERT: D 137 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.9033 (mp) REVERT: D 157 ARG cc_start: 0.8347 (OUTLIER) cc_final: 0.7857 (mmp80) REVERT: D 202 MET cc_start: 0.8299 (tpp) cc_final: 0.8006 (tpp) REVERT: D 396 GLU cc_start: 0.9241 (OUTLIER) cc_final: 0.8946 (pm20) REVERT: D 443 LEU cc_start: 0.8988 (OUTLIER) cc_final: 0.8699 (tt) REVERT: D 462 GLU cc_start: 0.8478 (OUTLIER) cc_final: 0.7969 (pm20) REVERT: D 483 MET cc_start: 0.8648 (tpp) cc_final: 0.8409 (tpp) REVERT: D 509 GLU cc_start: 0.9275 (OUTLIER) cc_final: 0.8859 (mm-30) REVERT: D 534 ARG cc_start: 0.8924 (OUTLIER) cc_final: 0.8087 (tpt-90) REVERT: D 552 ASP cc_start: 0.8387 (OUTLIER) cc_final: 0.8061 (m-30) REVERT: D 603 LEU cc_start: 0.9718 (OUTLIER) cc_final: 0.9353 (tt) REVERT: D 634 GLN cc_start: 0.9205 (OUTLIER) cc_final: 0.8721 (mm-40) REVERT: D 661 LYS cc_start: 0.9175 (OUTLIER) cc_final: 0.8890 (ptpt) REVERT: D 800 PHE cc_start: 0.8976 (OUTLIER) cc_final: 0.8374 (t80) REVERT: D 813 GLU cc_start: 0.6944 (OUTLIER) cc_final: 0.5947 (tp30) REVERT: D 818 ARG cc_start: 0.8660 (OUTLIER) cc_final: 0.7951 (ptp-170) REVERT: D 880 GLU cc_start: 0.7565 (OUTLIER) cc_final: 0.6822 (tm-30) REVERT: D 1038 SER cc_start: 0.8511 (OUTLIER) cc_final: 0.8256 (t) REVERT: D 1079 LYS cc_start: 0.9531 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: D 1180 ARG cc_start: 0.8778 (OUTLIER) cc_final: 0.8006 (mpp80) REVERT: D 1186 ASP cc_start: 0.8798 (OUTLIER) cc_final: 0.8520 (m-30) REVERT: D 1202 LEU cc_start: 0.9790 (OUTLIER) cc_final: 0.9391 (tp) REVERT: D 1224 GLU cc_start: 0.7548 (OUTLIER) cc_final: 0.7159 (mm-30) REVERT: D 1230 MET cc_start: 0.8444 (OUTLIER) cc_final: 0.7922 (mmt) REVERT: D 1274 HIS cc_start: 0.9369 (OUTLIER) cc_final: 0.8948 (t-170) REVERT: D 1691 GLN cc_start: 0.9335 (OUTLIER) cc_final: 0.8916 (tm130) REVERT: D 1720 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.8978 (pp) REVERT: D 1733 GLU cc_start: 0.8509 (OUTLIER) cc_final: 0.8079 (mm-30) REVERT: D 1973 GLN cc_start: 0.9333 (OUTLIER) cc_final: 0.8681 (tm-30) REVERT: D 2104 ARG cc_start: 0.9014 (OUTLIER) cc_final: 0.8712 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9150 (OUTLIER) cc_final: 0.8742 (mtp85) REVERT: D 2163 ARG cc_start: 0.9234 (OUTLIER) cc_final: 0.8544 (ttp80) REVERT: D 2208 MET cc_start: 0.9332 (OUTLIER) cc_final: 0.9003 (ttt) REVERT: D 2268 GLN cc_start: 0.7239 (OUTLIER) cc_final: 0.6584 (pm20) REVERT: D 2285 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.8037 (tm-30) REVERT: D 2318 TYR cc_start: 0.8151 (OUTLIER) cc_final: 0.7438 (m-10) REVERT: D 2331 TYR cc_start: 0.8371 (OUTLIER) cc_final: 0.8111 (m-80) REVERT: D 2360 LYS cc_start: 0.9250 (OUTLIER) cc_final: 0.9015 (mmtm) REVERT: D 2364 PHE cc_start: 0.8701 (OUTLIER) cc_final: 0.8285 (m-80) REVERT: D 2447 LYS cc_start: 0.6915 (OUTLIER) cc_final: 0.6424 (tppp) REVERT: D 2735 PHE cc_start: 0.5618 (OUTLIER) cc_final: 0.5001 (m-80) REVERT: D 2878 LEU cc_start: 0.8866 (tp) cc_final: 0.8533 (tp) REVERT: D 3643 ASN cc_start: 0.9281 (OUTLIER) cc_final: 0.8975 (p0) REVERT: D 3655 GLU cc_start: 0.8399 (OUTLIER) cc_final: 0.8052 (pp20) REVERT: D 3658 LYS cc_start: 0.6299 (OUTLIER) cc_final: 0.5601 (mmtt) REVERT: D 3734 HIS cc_start: 0.8408 (OUTLIER) cc_final: 0.7825 (t70) REVERT: D 3764 LEU cc_start: 0.9619 (OUTLIER) cc_final: 0.9253 (mp) REVERT: D 3767 GLN cc_start: 0.9281 (OUTLIER) cc_final: 0.8826 (mt0) REVERT: D 3789 GLU cc_start: 0.8051 (OUTLIER) cc_final: 0.7682 (tm-30) REVERT: D 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9320 (ttmt) REVERT: D 4031 LEU cc_start: 0.9126 (OUTLIER) cc_final: 0.8917 (mt) REVERT: D 4069 LYS cc_start: 0.9407 (OUTLIER) cc_final: 0.8964 (tptt) REVERT: D 4114 CYS cc_start: 0.9003 (OUTLIER) cc_final: 0.8642 (t) REVERT: D 4205 TRP cc_start: 0.9803 (OUTLIER) cc_final: 0.9505 (t-100) REVERT: D 4215 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.7589 (ttt180) REVERT: D 4634 GLU cc_start: 0.3074 (OUTLIER) cc_final: 0.2724 (tt0) REVERT: D 4679 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.8971 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7741 (OUTLIER) cc_final: 0.7529 (t0) REVERT: D 4743 MET cc_start: 0.8789 (mpp) cc_final: 0.8407 (mpp) REVERT: D 4806 ASN cc_start: 0.8631 (OUTLIER) cc_final: 0.8307 (p0) REVERT: D 4900 GLU cc_start: 0.7795 (OUTLIER) cc_final: 0.7499 (tm-30) REVERT: D 4973 HIS cc_start: 0.8286 (OUTLIER) cc_final: 0.6731 (m-70) REVERT: D 4978 HIS cc_start: 0.7865 (OUTLIER) cc_final: 0.7145 (t-170) REVERT: D 5026 ASP cc_start: 0.9126 (OUTLIER) cc_final: 0.8761 (m-30) outliers start: 2897 outliers final: 2230 residues processed: 3292 average time/residue: 0.9463 time to fit residues: 5646.8615 Evaluate side-chains 3051 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2495 poor density : 556 time to evaluate : 8.713 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU 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 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS 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 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 207 SER Chi-restraints excluded: chain A residue 210 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 474 ARG Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 683 ARG Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 873 LYS Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 901 LYS Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 911 HIS Chi-restraints excluded: chain A residue 920 TYR Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 947 GLU Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1111 PRO Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1224 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2014 ASP Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2425 PHE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2753 SER Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2765 LYS Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3955 MET Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4177 TYR 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4772 ASP 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 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 LEU Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4820 VAL Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4900 GLU Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4931 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 207 SER Chi-restraints excluded: chain B residue 210 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 379 HIS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 596 ASN Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 639 ASN 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 661 LYS Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 726 VAL Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 818 ARG Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 873 LYS Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 901 LYS Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 947 GLU Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1053 ILE Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1130 GLN Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1194 LEU 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 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1223 PHE Chi-restraints excluded: chain B residue 1224 GLU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2176 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2319 PRO Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2425 PHE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2765 LYS Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2788 HIS Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2805 TYR Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3735 LEU Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 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 4576 ILE Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4714 ASN Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4809 PHE Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 LEU Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4820 VAL Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4969 ASP Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 121 LEU 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 129 ASP Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 207 SER 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 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 496 VAL Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 502 HIS Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 544 LEU Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 624 ASN Chi-restraints excluded: chain C residue 639 ASN 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 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 683 ARG 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 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 725 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 818 ARG Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 858 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 873 LYS Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 901 LYS Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 920 TYR Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 947 GLU Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1053 ILE Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1217 CYS Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1224 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1841 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 CYS Chi-restraints excluded: chain C residue 2236 LEU 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 2249 SER Chi-restraints excluded: chain C residue 2255 SER Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2318 TYR Chi-restraints excluded: chain C residue 2319 PRO Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2425 PHE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2753 SER Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2768 PHE Chi-restraints excluded: chain C residue 2769 ASP Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2788 HIS Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 2937 VAL Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 LEU 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 4840 THR Chi-restraints excluded: chain C residue 4841 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 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4900 GLU Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 61 ASP Chi-restraints excluded: chain D residue 62 LEU Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 127 MET Chi-restraints excluded: chain D residue 129 ASP Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 294 THR 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 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 496 VAL Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 603 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 661 LYS Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 820 ARG Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 861 ILE Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 873 LYS Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 901 LYS Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 920 TYR Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 953 THR Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 970 LEU Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1130 GLN Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1224 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2176 ASN 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 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2360 LYS Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2386 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2755 ILE Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2805 TYR Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3650 CYS Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4732 PHE Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4820 VAL Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4900 GLU Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2788 HIS ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4832 HIS ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4973 HIS ** B 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4973 HIS ** C 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2788 HIS ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4832 HIS D4973 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8573 moved from start: 0.9911 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.359 119312 Z= 3.294 Angle : 3.099 33.904 162720 Z= 1.545 Chirality : 0.140 0.676 19040 Planarity : 0.019 0.240 21416 Dihedral : 14.461 171.533 17649 Min Nonbonded Distance : 1.302 Molprobity Statistics. All-atom Clashscore : 98.68 Ramachandran Plot: Outliers : 2.39 % Allowed : 36.77 % Favored : 60.84 % Rotamer: Outliers : 29.28 % Allowed : 26.04 % Favored : 44.68 % Cbeta Deviations : 0.31 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 7.07 % 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: -7.35 (0.04), residues: 12808 helix: -4.58 (0.03), residues: 6024 sheet: -4.28 (0.12), residues: 1136 loop : -5.35 (0.05), residues: 5648 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.086 0.009 TRP B4205 HIS 0.055 0.006 HIS C 502 PHE 0.110 0.010 PHE A4195 TYR 0.071 0.009 TYR B 659 ARG 0.057 0.003 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3497 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2943 poor density : 554 time to evaluate : 8.934 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: A 15 ARG cc_start: 0.8378 (OUTLIER) cc_final: 0.8038 (ptm160) REVERT: A 23 GLN cc_start: 0.8356 (OUTLIER) cc_final: 0.8090 (mt0) REVERT: A 69 LEU cc_start: 0.8789 (OUTLIER) cc_final: 0.8387 (mp) REVERT: A 137 LEU cc_start: 0.9304 (OUTLIER) cc_final: 0.9018 (mp) REVERT: A 157 ARG cc_start: 0.8423 (OUTLIER) cc_final: 0.7906 (mmp80) REVERT: A 169 LEU cc_start: 0.8980 (OUTLIER) cc_final: 0.8682 (pp) REVERT: A 202 MET cc_start: 0.8299 (tpp) cc_final: 0.8006 (tpp) REVERT: A 384 MET cc_start: 0.8489 (pmm) cc_final: 0.8223 (pmm) REVERT: A 396 GLU cc_start: 0.9234 (OUTLIER) cc_final: 0.8957 (pm20) REVERT: A 421 PHE cc_start: 0.8554 (OUTLIER) cc_final: 0.6954 (p90) REVERT: A 443 LEU cc_start: 0.9004 (OUTLIER) cc_final: 0.8725 (tt) REVERT: A 462 GLU cc_start: 0.8509 (OUTLIER) cc_final: 0.7991 (pm20) REVERT: A 469 ARG cc_start: 0.8955 (OUTLIER) cc_final: 0.8702 (ttm-80) REVERT: A 474 ARG cc_start: 0.9466 (OUTLIER) cc_final: 0.9052 (ttp-170) REVERT: A 531 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8816 (ptp-110) REVERT: A 534 ARG cc_start: 0.8765 (OUTLIER) cc_final: 0.7828 (tpt-90) REVERT: A 552 ASP cc_start: 0.8470 (OUTLIER) cc_final: 0.8132 (m-30) REVERT: A 603 LEU cc_start: 0.9702 (OUTLIER) cc_final: 0.9311 (tt) REVERT: A 634 GLN cc_start: 0.9227 (OUTLIER) cc_final: 0.8735 (mm-40) REVERT: A 661 LYS cc_start: 0.9176 (OUTLIER) cc_final: 0.8871 (ptpt) REVERT: A 709 ASP cc_start: 0.8986 (OUTLIER) cc_final: 0.8710 (m-30) REVERT: A 758 ARG cc_start: 0.8062 (OUTLIER) cc_final: 0.7317 (mmm-85) REVERT: A 800 PHE cc_start: 0.8938 (OUTLIER) cc_final: 0.8407 (t80) REVERT: A 813 GLU cc_start: 0.7025 (OUTLIER) cc_final: 0.6649 (tm-30) REVERT: A 818 ARG cc_start: 0.8892 (OUTLIER) cc_final: 0.8329 (ptp-170) REVERT: A 829 TYR cc_start: 0.9407 (OUTLIER) cc_final: 0.9190 (p90) REVERT: A 835 ARG cc_start: 0.7844 (OUTLIER) cc_final: 0.7501 (ptm160) REVERT: A 880 GLU cc_start: 0.7651 (OUTLIER) cc_final: 0.6552 (tm-30) REVERT: A 947 GLU cc_start: 0.1181 (OUTLIER) cc_final: 0.0379 (mt-10) REVERT: A 1079 LYS cc_start: 0.9536 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: A 1180 ARG cc_start: 0.8759 (OUTLIER) cc_final: 0.7988 (mpp80) REVERT: A 1186 ASP cc_start: 0.8775 (OUTLIER) cc_final: 0.8471 (m-30) REVERT: A 1202 LEU cc_start: 0.9775 (OUTLIER) cc_final: 0.9365 (tp) REVERT: A 1221 GLU cc_start: 0.9190 (OUTLIER) cc_final: 0.8976 (tp30) REVERT: A 1720 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.8987 (pp) REVERT: A 1733 GLU cc_start: 0.8495 (OUTLIER) cc_final: 0.8062 (mm-30) REVERT: A 1858 ASP cc_start: 0.9039 (OUTLIER) cc_final: 0.8740 (m-30) REVERT: A 1973 GLN cc_start: 0.9350 (OUTLIER) cc_final: 0.9134 (tm-30) REVERT: A 2126 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8711 (mtp85) REVERT: A 2140 ARG cc_start: 0.9271 (OUTLIER) cc_final: 0.7740 (mtp85) REVERT: A 2163 ARG cc_start: 0.9271 (OUTLIER) cc_final: 0.8539 (ttp80) REVERT: A 2186 MET cc_start: 0.8870 (ppp) cc_final: 0.8475 (ppp) REVERT: A 2208 MET cc_start: 0.9333 (OUTLIER) cc_final: 0.9021 (ttt) REVERT: A 2228 MET cc_start: 0.9126 (tpp) cc_final: 0.8807 (tpp) REVERT: A 2268 GLN cc_start: 0.7277 (OUTLIER) cc_final: 0.6578 (pm20) REVERT: A 2285 GLU cc_start: 0.8333 (OUTLIER) cc_final: 0.7998 (tm-30) REVERT: A 2318 TYR cc_start: 0.8131 (OUTLIER) cc_final: 0.7354 (m-10) REVERT: A 2331 TYR cc_start: 0.8239 (OUTLIER) cc_final: 0.7912 (m-80) REVERT: A 2349 ASN cc_start: 0.9580 (OUTLIER) cc_final: 0.9377 (m-40) REVERT: A 2360 LYS cc_start: 0.9264 (OUTLIER) cc_final: 0.9008 (mmtm) REVERT: A 2364 PHE cc_start: 0.8606 (OUTLIER) cc_final: 0.8196 (m-80) REVERT: A 2735 PHE cc_start: 0.5986 (OUTLIER) cc_final: 0.5262 (m-80) REVERT: A 2765 LYS cc_start: 0.3576 (OUTLIER) cc_final: 0.3088 (mmmt) REVERT: A 2871 LEU cc_start: -0.2423 (OUTLIER) cc_final: -0.2758 (tt) REVERT: A 2878 LEU cc_start: 0.8785 (tp) cc_final: 0.8433 (tp) REVERT: A 3643 ASN cc_start: 0.9266 (OUTLIER) cc_final: 0.8977 (p0) REVERT: A 3655 GLU cc_start: 0.8385 (OUTLIER) cc_final: 0.8041 (pp20) REVERT: A 3658 LYS cc_start: 0.6293 (OUTLIER) cc_final: 0.5573 (mmtt) REVERT: A 3734 HIS cc_start: 0.8379 (OUTLIER) cc_final: 0.7758 (t70) REVERT: A 3764 LEU cc_start: 0.9615 (OUTLIER) cc_final: 0.9264 (mp) REVERT: A 3767 GLN cc_start: 0.9235 (OUTLIER) cc_final: 0.8710 (mt0) REVERT: A 3789 GLU cc_start: 0.8007 (OUTLIER) cc_final: 0.7679 (tm-30) REVERT: A 3959 LYS cc_start: 0.9578 (OUTLIER) cc_final: 0.9348 (ttmt) REVERT: A 4032 GLU cc_start: 0.8963 (OUTLIER) cc_final: 0.8753 (tm-30) REVERT: A 4069 LYS cc_start: 0.9415 (OUTLIER) cc_final: 0.8979 (tptt) REVERT: A 4114 CYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8740 (t) REVERT: A 4205 TRP cc_start: 0.9795 (OUTLIER) cc_final: 0.9538 (t-100) REVERT: A 4207 MET cc_start: 0.9069 (mmm) cc_final: 0.8864 (mmm) REVERT: A 4215 ARG cc_start: 0.8513 (OUTLIER) cc_final: 0.7745 (ttt180) REVERT: A 4679 ARG cc_start: 0.9291 (OUTLIER) cc_final: 0.8988 (mtt-85) REVERT: A 4743 MET cc_start: 0.8829 (mpp) cc_final: 0.8456 (mpp) REVERT: A 4806 ASN cc_start: 0.8475 (OUTLIER) cc_final: 0.8134 (p0) REVERT: A 4900 GLU cc_start: 0.7724 (OUTLIER) cc_final: 0.7506 (tm-30) REVERT: A 4978 HIS cc_start: 0.7373 (OUTLIER) cc_final: 0.6808 (t-170) REVERT: B 15 ARG cc_start: 0.8250 (OUTLIER) cc_final: 0.7945 (ptm160) REVERT: B 69 LEU cc_start: 0.8761 (OUTLIER) cc_final: 0.8350 (mp) REVERT: B 137 LEU cc_start: 0.9336 (OUTLIER) cc_final: 0.9079 (mp) REVERT: B 157 ARG cc_start: 0.8436 (OUTLIER) cc_final: 0.7911 (mmp80) REVERT: B 169 LEU cc_start: 0.8965 (OUTLIER) cc_final: 0.8644 (pp) REVERT: B 202 MET cc_start: 0.8340 (tpp) cc_final: 0.8046 (tpp) REVERT: B 275 ARG cc_start: 0.8545 (OUTLIER) cc_final: 0.8183 (ptp90) REVERT: B 384 MET cc_start: 0.8595 (pmm) cc_final: 0.8366 (pmm) REVERT: B 396 GLU cc_start: 0.9236 (OUTLIER) cc_final: 0.8951 (pm20) REVERT: B 421 PHE cc_start: 0.8565 (OUTLIER) cc_final: 0.6965 (p90) REVERT: B 443 LEU cc_start: 0.9010 (OUTLIER) cc_final: 0.8731 (tt) REVERT: B 445 LEU cc_start: 0.9639 (OUTLIER) cc_final: 0.9430 (mm) REVERT: B 462 GLU cc_start: 0.8519 (OUTLIER) cc_final: 0.7989 (pm20) REVERT: B 469 ARG cc_start: 0.8950 (OUTLIER) cc_final: 0.8677 (ttm-80) REVERT: B 474 ARG cc_start: 0.9481 (OUTLIER) cc_final: 0.9172 (ttp-110) REVERT: B 478 PHE cc_start: 0.9317 (OUTLIER) cc_final: 0.8974 (t80) REVERT: B 531 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8777 (ptp-110) REVERT: B 534 ARG cc_start: 0.8848 (OUTLIER) cc_final: 0.8035 (tpt-90) REVERT: B 603 LEU cc_start: 0.9699 (OUTLIER) cc_final: 0.9308 (tt) REVERT: B 634 GLN cc_start: 0.9202 (OUTLIER) cc_final: 0.8745 (mm-40) REVERT: B 661 LYS cc_start: 0.9181 (OUTLIER) cc_final: 0.8850 (ptpt) REVERT: B 758 ARG cc_start: 0.8025 (OUTLIER) cc_final: 0.7301 (mmm-85) REVERT: B 800 PHE cc_start: 0.8932 (OUTLIER) cc_final: 0.8395 (t80) REVERT: B 813 GLU cc_start: 0.7037 (OUTLIER) cc_final: 0.6681 (tm-30) REVERT: B 818 ARG cc_start: 0.8638 (OUTLIER) cc_final: 0.8071 (ptp-170) REVERT: B 821 LEU cc_start: 0.9557 (OUTLIER) cc_final: 0.9206 (tp) REVERT: B 835 ARG cc_start: 0.7939 (OUTLIER) cc_final: 0.7435 (ptm160) REVERT: B 880 GLU cc_start: 0.7535 (OUTLIER) cc_final: 0.6372 (tm-30) REVERT: B 947 GLU cc_start: 0.1521 (OUTLIER) cc_final: 0.0632 (mt-10) REVERT: B 1038 SER cc_start: 0.8491 (OUTLIER) cc_final: 0.8244 (t) REVERT: B 1079 LYS cc_start: 0.9548 (OUTLIER) cc_final: 0.9305 (mtmt) REVERT: B 1186 ASP cc_start: 0.8785 (OUTLIER) cc_final: 0.8467 (m-30) REVERT: B 1202 LEU cc_start: 0.9771 (OUTLIER) cc_final: 0.9404 (tp) REVERT: B 1230 MET cc_start: 0.8428 (OUTLIER) cc_final: 0.7895 (mmt) REVERT: B 1733 GLU cc_start: 0.8503 (OUTLIER) cc_final: 0.8126 (mm-30) REVERT: B 1858 ASP cc_start: 0.9041 (OUTLIER) cc_final: 0.8746 (m-30) REVERT: B 1973 GLN cc_start: 0.9342 (OUTLIER) cc_final: 0.9120 (tm-30) REVERT: B 2126 ARG cc_start: 0.9123 (OUTLIER) cc_final: 0.8696 (mtp85) REVERT: B 2140 ARG cc_start: 0.9265 (OUTLIER) cc_final: 0.7676 (mtp85) REVERT: B 2163 ARG cc_start: 0.9281 (OUTLIER) cc_final: 0.8556 (ttp80) REVERT: B 2173 GLN cc_start: 0.9204 (OUTLIER) cc_final: 0.8950 (tp40) REVERT: B 2208 MET cc_start: 0.9341 (OUTLIER) cc_final: 0.9002 (ttt) REVERT: B 2228 MET cc_start: 0.9120 (tpp) cc_final: 0.8677 (tpp) REVERT: B 2268 GLN cc_start: 0.7270 (OUTLIER) cc_final: 0.6594 (pm20) REVERT: B 2285 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.8022 (tm-30) REVERT: B 2318 TYR cc_start: 0.8140 (OUTLIER) cc_final: 0.7368 (m-10) REVERT: B 2331 TYR cc_start: 0.8230 (OUTLIER) cc_final: 0.7904 (m-80) REVERT: B 2360 LYS cc_start: 0.9261 (OUTLIER) cc_final: 0.8965 (mmtm) REVERT: B 2364 PHE cc_start: 0.8590 (OUTLIER) cc_final: 0.8215 (m-80) REVERT: B 2735 PHE cc_start: 0.5889 (OUTLIER) cc_final: 0.5236 (m-80) REVERT: B 2765 LYS cc_start: 0.3175 (OUTLIER) cc_final: 0.2935 (tppt) REVERT: B 2768 PHE cc_start: 0.4432 (OUTLIER) cc_final: 0.1342 (t80) REVERT: B 2871 LEU cc_start: -0.2439 (OUTLIER) cc_final: -0.2781 (tt) REVERT: B 2878 LEU cc_start: 0.8848 (tp) cc_final: 0.8540 (tp) REVERT: B 2939 ARG cc_start: 0.6926 (OUTLIER) cc_final: 0.6680 (mtt180) REVERT: B 3643 ASN cc_start: 0.9266 (OUTLIER) cc_final: 0.8957 (p0) REVERT: B 3655 GLU cc_start: 0.8363 (OUTLIER) cc_final: 0.7968 (pp20) REVERT: B 3658 LYS cc_start: 0.6320 (OUTLIER) cc_final: 0.5656 (mmtt) REVERT: B 3734 HIS cc_start: 0.8349 (OUTLIER) cc_final: 0.7744 (t70) REVERT: B 3764 LEU cc_start: 0.9617 (OUTLIER) cc_final: 0.9258 (mp) REVERT: B 3767 GLN cc_start: 0.9245 (OUTLIER) cc_final: 0.8754 (mt0) REVERT: B 3789 GLU cc_start: 0.8041 (OUTLIER) cc_final: 0.7683 (tm-30) REVERT: B 3949 ARG cc_start: 0.8581 (OUTLIER) cc_final: 0.8115 (ttm110) REVERT: B 3959 LYS cc_start: 0.9574 (OUTLIER) cc_final: 0.9316 (ttmt) REVERT: B 4032 GLU cc_start: 0.8975 (OUTLIER) cc_final: 0.8749 (tm-30) REVERT: B 4069 LYS cc_start: 0.9394 (OUTLIER) cc_final: 0.8935 (tptt) REVERT: B 4114 CYS cc_start: 0.9107 (OUTLIER) cc_final: 0.8753 (t) REVERT: B 4205 TRP cc_start: 0.9796 (OUTLIER) cc_final: 0.9522 (t-100) REVERT: B 4215 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.7858 (ttt180) REVERT: B 4557 ARG cc_start: 0.8990 (OUTLIER) cc_final: 0.8478 (mtm110) REVERT: B 4679 ARG cc_start: 0.9269 (OUTLIER) cc_final: 0.8960 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7857 (OUTLIER) cc_final: 0.7518 (t0) REVERT: B 4743 MET cc_start: 0.8843 (mpp) cc_final: 0.8335 (mpp) REVERT: B 4806 ASN cc_start: 0.8588 (OUTLIER) cc_final: 0.8289 (p0) REVERT: B 4809 PHE cc_start: 0.9111 (OUTLIER) cc_final: 0.8898 (m-10) REVERT: B 4849 TYR cc_start: 0.8981 (OUTLIER) cc_final: 0.7789 (t80) REVERT: B 4880 MET cc_start: 0.9486 (OUTLIER) cc_final: 0.8891 (tpp) REVERT: B 4973 HIS cc_start: 0.8271 (OUTLIER) cc_final: 0.6817 (m-70) REVERT: B 4978 HIS cc_start: 0.7609 (OUTLIER) cc_final: 0.6920 (t70) REVERT: B 5026 ASP cc_start: 0.9132 (OUTLIER) cc_final: 0.8717 (m-30) REVERT: C 15 ARG cc_start: 0.8274 (OUTLIER) cc_final: 0.7960 (ptm160) REVERT: C 23 GLN cc_start: 0.8350 (OUTLIER) cc_final: 0.8083 (mt0) REVERT: C 69 LEU cc_start: 0.8763 (OUTLIER) cc_final: 0.8363 (mp) REVERT: C 137 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.9037 (mp) REVERT: C 157 ARG cc_start: 0.8326 (OUTLIER) cc_final: 0.7970 (mmp80) REVERT: C 161 GLU cc_start: 0.8800 (OUTLIER) cc_final: 0.8497 (pt0) REVERT: C 169 LEU cc_start: 0.8954 (OUTLIER) cc_final: 0.8610 (pp) REVERT: C 202 MET cc_start: 0.8337 (tpp) cc_final: 0.8110 (tpp) REVERT: C 359 TYR cc_start: 0.9271 (OUTLIER) cc_final: 0.8797 (p90) REVERT: C 396 GLU cc_start: 0.9238 (OUTLIER) cc_final: 0.8955 (pm20) REVERT: C 421 PHE cc_start: 0.8525 (OUTLIER) cc_final: 0.6898 (p90) REVERT: C 443 LEU cc_start: 0.9013 (OUTLIER) cc_final: 0.8743 (tt) REVERT: C 445 LEU cc_start: 0.9646 (OUTLIER) cc_final: 0.9429 (mm) REVERT: C 451 TYR cc_start: 0.9677 (OUTLIER) cc_final: 0.9439 (t80) REVERT: C 462 GLU cc_start: 0.8483 (OUTLIER) cc_final: 0.7943 (pm20) REVERT: C 469 ARG cc_start: 0.9002 (OUTLIER) cc_final: 0.8730 (ttm-80) REVERT: C 474 ARG cc_start: 0.9489 (OUTLIER) cc_final: 0.9248 (ttp-170) REVERT: C 534 ARG cc_start: 0.8768 (OUTLIER) cc_final: 0.7817 (tpt-90) REVERT: C 603 LEU cc_start: 0.9701 (OUTLIER) cc_final: 0.9259 (tt) REVERT: C 661 LYS cc_start: 0.9267 (OUTLIER) cc_final: 0.8924 (ptpt) REVERT: C 674 PHE cc_start: 0.9473 (OUTLIER) cc_final: 0.9266 (t80) REVERT: C 709 ASP cc_start: 0.9028 (OUTLIER) cc_final: 0.8754 (m-30) REVERT: C 758 ARG cc_start: 0.7995 (OUTLIER) cc_final: 0.7183 (mmm-85) REVERT: C 800 PHE cc_start: 0.8925 (OUTLIER) cc_final: 0.8365 (t80) REVERT: C 818 ARG cc_start: 0.8606 (OUTLIER) cc_final: 0.8157 (ptp-170) REVERT: C 835 ARG cc_start: 0.7843 (OUTLIER) cc_final: 0.7323 (ptm160) REVERT: C 880 GLU cc_start: 0.7574 (OUTLIER) cc_final: 0.6553 (tm-30) REVERT: C 884 LEU cc_start: 0.7478 (OUTLIER) cc_final: 0.7236 (tt) REVERT: C 969 PRO cc_start: 0.4762 (OUTLIER) cc_final: 0.4378 (Cg_endo) REVERT: C 1038 SER cc_start: 0.8449 (OUTLIER) cc_final: 0.8209 (t) REVERT: C 1079 LYS cc_start: 0.9553 (OUTLIER) cc_final: 0.9309 (mtmt) REVERT: C 1180 ARG cc_start: 0.8799 (OUTLIER) cc_final: 0.8020 (mpp80) REVERT: C 1186 ASP cc_start: 0.8793 (OUTLIER) cc_final: 0.8486 (m-30) REVERT: C 1202 LEU cc_start: 0.9772 (OUTLIER) cc_final: 0.9385 (tp) REVERT: C 1221 GLU cc_start: 0.9228 (OUTLIER) cc_final: 0.9014 (tp30) REVERT: C 1230 MET cc_start: 0.8482 (OUTLIER) cc_final: 0.7988 (mmt) REVERT: C 1601 MET cc_start: 0.8910 (OUTLIER) cc_final: 0.8447 (mmt) REVERT: C 1661 ARG cc_start: 0.9015 (OUTLIER) cc_final: 0.8808 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9330 (OUTLIER) cc_final: 0.8969 (tm130) REVERT: C 1720 LEU cc_start: 0.9322 (OUTLIER) cc_final: 0.8987 (pp) REVERT: C 1733 GLU cc_start: 0.8520 (OUTLIER) cc_final: 0.8089 (mm-30) REVERT: C 1858 ASP cc_start: 0.9043 (OUTLIER) cc_final: 0.8747 (m-30) REVERT: C 1973 GLN cc_start: 0.9348 (OUTLIER) cc_final: 0.9135 (tm-30) REVERT: C 2126 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8701 (mtp85) REVERT: C 2140 ARG cc_start: 0.9264 (OUTLIER) cc_final: 0.7719 (mtp85) REVERT: C 2163 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.8544 (ttp80) REVERT: C 2173 GLN cc_start: 0.9205 (OUTLIER) cc_final: 0.8953 (tp40) REVERT: C 2186 MET cc_start: 0.8812 (ppp) cc_final: 0.8414 (ppp) REVERT: C 2208 MET cc_start: 0.9340 (OUTLIER) cc_final: 0.9006 (ttt) REVERT: C 2228 MET cc_start: 0.9248 (tpp) cc_final: 0.8928 (tpp) REVERT: C 2268 GLN cc_start: 0.7172 (OUTLIER) cc_final: 0.6525 (pm20) REVERT: C 2285 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.8000 (tm-30) REVERT: C 2318 TYR cc_start: 0.8158 (OUTLIER) cc_final: 0.7744 (m-10) REVERT: C 2360 LYS cc_start: 0.9226 (OUTLIER) cc_final: 0.8963 (mmtm) REVERT: C 2364 PHE cc_start: 0.8572 (OUTLIER) cc_final: 0.8207 (m-80) REVERT: C 2447 LYS cc_start: 0.6972 (OUTLIER) cc_final: 0.6089 (tppp) REVERT: C 2735 PHE cc_start: 0.6065 (OUTLIER) cc_final: 0.5405 (m-80) REVERT: C 2871 LEU cc_start: -0.2371 (OUTLIER) cc_final: -0.2703 (tt) REVERT: C 2878 LEU cc_start: 0.8857 (tp) cc_final: 0.8529 (tp) REVERT: C 3643 ASN cc_start: 0.9267 (OUTLIER) cc_final: 0.8943 (p0) REVERT: C 3655 GLU cc_start: 0.8377 (OUTLIER) cc_final: 0.8001 (pp20) REVERT: C 3658 LYS cc_start: 0.6311 (OUTLIER) cc_final: 0.5630 (mmtt) REVERT: C 3734 HIS cc_start: 0.8364 (OUTLIER) cc_final: 0.7750 (t70) REVERT: C 3764 LEU cc_start: 0.9617 (OUTLIER) cc_final: 0.9254 (mp) REVERT: C 3767 GLN cc_start: 0.9234 (OUTLIER) cc_final: 0.8736 (mt0) REVERT: C 3789 GLU cc_start: 0.8044 (OUTLIER) cc_final: 0.7670 (tm-30) REVERT: C 3959 LYS cc_start: 0.9575 (OUTLIER) cc_final: 0.9325 (ttmt) REVERT: C 4069 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.8934 (tptt) REVERT: C 4114 CYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8764 (t) REVERT: C 4205 TRP cc_start: 0.9787 (OUTLIER) cc_final: 0.9490 (t-100) REVERT: C 4557 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8420 (mtm110) REVERT: C 4634 GLU cc_start: 0.3207 (OUTLIER) cc_final: 0.2830 (tt0) REVERT: C 4679 ARG cc_start: 0.9296 (OUTLIER) cc_final: 0.9047 (mtt-85) REVERT: C 4743 MET cc_start: 0.8849 (mpp) cc_final: 0.8348 (mpp) REVERT: C 4806 ASN cc_start: 0.8540 (OUTLIER) cc_final: 0.8196 (p0) REVERT: C 4879 MET cc_start: 0.9151 (pmm) cc_final: 0.8895 (pmm) REVERT: C 4978 HIS cc_start: 0.7614 (OUTLIER) cc_final: 0.6929 (t-170) REVERT: D 15 ARG cc_start: 0.8363 (OUTLIER) cc_final: 0.8006 (ptm160) REVERT: D 23 GLN cc_start: 0.8294 (OUTLIER) cc_final: 0.8041 (mt0) REVERT: D 137 LEU cc_start: 0.9285 (OUTLIER) cc_final: 0.8984 (mp) REVERT: D 157 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.7877 (mmp80) REVERT: D 202 MET cc_start: 0.8269 (tpp) cc_final: 0.7966 (tpp) REVERT: D 275 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.8003 (ptp90) REVERT: D 396 GLU cc_start: 0.9235 (OUTLIER) cc_final: 0.8965 (pm20) REVERT: D 421 PHE cc_start: 0.8550 (OUTLIER) cc_final: 0.6967 (p90) REVERT: D 443 LEU cc_start: 0.8990 (OUTLIER) cc_final: 0.8700 (tt) REVERT: D 462 GLU cc_start: 0.8489 (OUTLIER) cc_final: 0.7975 (pm20) REVERT: D 478 PHE cc_start: 0.9308 (OUTLIER) cc_final: 0.8970 (t80) REVERT: D 534 ARG cc_start: 0.8950 (OUTLIER) cc_final: 0.8130 (tpt-90) REVERT: D 552 ASP cc_start: 0.8451 (OUTLIER) cc_final: 0.8055 (m-30) REVERT: D 603 LEU cc_start: 0.9718 (OUTLIER) cc_final: 0.9358 (tt) REVERT: D 634 GLN cc_start: 0.9206 (OUTLIER) cc_final: 0.8719 (mm-40) REVERT: D 661 LYS cc_start: 0.9182 (OUTLIER) cc_final: 0.8879 (ptpt) REVERT: D 758 ARG cc_start: 0.7972 (OUTLIER) cc_final: 0.7164 (mmm-85) REVERT: D 800 PHE cc_start: 0.8976 (OUTLIER) cc_final: 0.8349 (t80) REVERT: D 813 GLU cc_start: 0.6982 (OUTLIER) cc_final: 0.5985 (tp30) REVERT: D 818 ARG cc_start: 0.8677 (OUTLIER) cc_final: 0.7956 (ptp-170) REVERT: D 880 GLU cc_start: 0.7642 (OUTLIER) cc_final: 0.6316 (tm-30) REVERT: D 1038 SER cc_start: 0.8687 (OUTLIER) cc_final: 0.8460 (t) REVERT: D 1079 LYS cc_start: 0.9530 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: D 1180 ARG cc_start: 0.8752 (OUTLIER) cc_final: 0.7892 (mpp80) REVERT: D 1186 ASP cc_start: 0.8775 (OUTLIER) cc_final: 0.8495 (m-30) REVERT: D 1202 LEU cc_start: 0.9793 (OUTLIER) cc_final: 0.9392 (tp) REVERT: D 1230 MET cc_start: 0.8432 (OUTLIER) cc_final: 0.7963 (mmt) REVERT: D 1274 HIS cc_start: 0.9356 (OUTLIER) cc_final: 0.8941 (t-170) REVERT: D 1691 GLN cc_start: 0.9336 (OUTLIER) cc_final: 0.8929 (tm130) REVERT: D 1720 LEU cc_start: 0.9312 (OUTLIER) cc_final: 0.9024 (pp) REVERT: D 1733 GLU cc_start: 0.8489 (OUTLIER) cc_final: 0.8091 (mm-30) REVERT: D 1973 GLN cc_start: 0.9328 (OUTLIER) cc_final: 0.9122 (tm-30) REVERT: D 2104 ARG cc_start: 0.9019 (OUTLIER) cc_final: 0.8739 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8725 (mtp85) REVERT: D 2140 ARG cc_start: 0.9276 (OUTLIER) cc_final: 0.7771 (mtp85) REVERT: D 2163 ARG cc_start: 0.9237 (OUTLIER) cc_final: 0.8553 (ttp80) REVERT: D 2173 GLN cc_start: 0.9215 (OUTLIER) cc_final: 0.8961 (tp40) REVERT: D 2186 MET cc_start: 0.8904 (ppp) cc_final: 0.8521 (ppp) REVERT: D 2208 MET cc_start: 0.9346 (OUTLIER) cc_final: 0.9027 (ttt) REVERT: D 2268 GLN cc_start: 0.7215 (OUTLIER) cc_final: 0.6488 (pm20) REVERT: D 2285 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.8064 (tm-30) REVERT: D 2318 TYR cc_start: 0.8171 (OUTLIER) cc_final: 0.7562 (m-10) REVERT: D 2331 TYR cc_start: 0.8343 (OUTLIER) cc_final: 0.8024 (m-80) REVERT: D 2360 LYS cc_start: 0.9268 (OUTLIER) cc_final: 0.9025 (mmtm) REVERT: D 2364 PHE cc_start: 0.8704 (OUTLIER) cc_final: 0.8305 (m-80) REVERT: D 2735 PHE cc_start: 0.5684 (OUTLIER) cc_final: 0.5098 (m-80) REVERT: D 2765 LYS cc_start: 0.3417 (OUTLIER) cc_final: 0.3035 (mmmt) REVERT: D 2766 TRP cc_start: 0.0087 (OUTLIER) cc_final: -0.0219 (t-100) REVERT: D 2871 LEU cc_start: -0.2331 (OUTLIER) cc_final: -0.2621 (tt) REVERT: D 2878 LEU cc_start: 0.8830 (tp) cc_final: 0.8483 (tp) REVERT: D 3643 ASN cc_start: 0.9274 (OUTLIER) cc_final: 0.8981 (p0) REVERT: D 3655 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.8052 (pp20) REVERT: D 3658 LYS cc_start: 0.6110 (OUTLIER) cc_final: 0.5298 (mmtt) REVERT: D 3734 HIS cc_start: 0.8367 (OUTLIER) cc_final: 0.7724 (t70) REVERT: D 3764 LEU cc_start: 0.9613 (OUTLIER) cc_final: 0.9246 (mp) REVERT: D 3767 GLN cc_start: 0.9250 (OUTLIER) cc_final: 0.8769 (mt0) REVERT: D 3789 GLU cc_start: 0.8060 (OUTLIER) cc_final: 0.7708 (tm-30) REVERT: D 3959 LYS cc_start: 0.9583 (OUTLIER) cc_final: 0.9328 (ttmt) REVERT: D 4015 GLU cc_start: 0.8942 (OUTLIER) cc_final: 0.8347 (tp30) REVERT: D 4031 LEU cc_start: 0.9123 (OUTLIER) cc_final: 0.8922 (mt) REVERT: D 4069 LYS cc_start: 0.9417 (OUTLIER) cc_final: 0.8981 (tptt) REVERT: D 4114 CYS cc_start: 0.8992 (OUTLIER) cc_final: 0.8653 (t) REVERT: D 4205 TRP cc_start: 0.9799 (OUTLIER) cc_final: 0.9499 (t-100) REVERT: D 4207 MET cc_start: 0.9047 (OUTLIER) cc_final: 0.8794 (mmm) REVERT: D 4215 ARG cc_start: 0.8570 (OUTLIER) cc_final: 0.7597 (ttt180) REVERT: D 4679 ARG cc_start: 0.9286 (OUTLIER) cc_final: 0.8977 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7710 (OUTLIER) cc_final: 0.7464 (t0) REVERT: D 4743 MET cc_start: 0.8828 (mpp) cc_final: 0.8461 (mpp) REVERT: D 4806 ASN cc_start: 0.8630 (OUTLIER) cc_final: 0.8329 (p0) REVERT: D 4833 ASN cc_start: 0.9028 (OUTLIER) cc_final: 0.8420 (m-40) REVERT: D 4877 ASP cc_start: 0.8014 (OUTLIER) cc_final: 0.7643 (m-30) REVERT: D 4900 GLU cc_start: 0.7726 (OUTLIER) cc_final: 0.7418 (tm-30) REVERT: D 4973 HIS cc_start: 0.8305 (OUTLIER) cc_final: 0.7191 (m-70) REVERT: D 4978 HIS cc_start: 0.7849 (OUTLIER) cc_final: 0.7071 (t-170) REVERT: D 5026 ASP cc_start: 0.9139 (OUTLIER) cc_final: 0.8777 (m-30) outliers start: 2943 outliers final: 2310 residues processed: 3346 average time/residue: 0.9138 time to fit residues: 5498.6241 Evaluate side-chains 3147 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2594 poor density : 553 time to evaluate : 9.097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU 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 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS 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 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 207 SER Chi-restraints excluded: chain A residue 210 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 379 HIS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 474 ARG Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 531 ARG Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 603 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 683 ARG Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 873 LYS Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 911 HIS Chi-restraints excluded: chain A residue 920 TYR Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 947 GLU Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1111 PRO Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1224 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2360 LYS Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2425 PHE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2750 LYS Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2755 ILE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2765 LYS Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3650 CYS Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3841 VAL Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3955 MET Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4772 ASP 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 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 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 4825 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4900 GLU Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4931 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS 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 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 207 SER Chi-restraints excluded: chain B residue 210 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 531 ARG Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 596 ASN Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 639 ASN 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 661 LYS Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 818 ARG Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 873 LYS Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 901 LYS Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 947 GLU Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 969 PRO Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1053 ILE Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1223 PHE Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2173 GLN Chi-restraints excluded: chain B residue 2176 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2319 PRO Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2425 PHE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2750 LYS Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2765 LYS Chi-restraints excluded: chain B residue 2768 PHE Chi-restraints excluded: chain B residue 2769 ASP Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2788 HIS Chi-restraints excluded: chain B residue 2791 LEU Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2805 TYR Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2871 LEU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 2939 ARG Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4557 ARG Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4657 CYS Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4714 ASN Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4809 PHE Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 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 4825 THR Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4938 ASP Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4969 ASP Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS 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 129 ASP Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 207 SER Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 443 LEU Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 474 ARG Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 496 VAL Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 502 HIS Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 624 ASN Chi-restraints excluded: chain C residue 639 ASN 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 661 LYS Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR 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 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 818 ARG Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 858 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 873 LYS Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 901 LYS Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 920 TYR Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1053 ILE Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1186 ASP Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1217 CYS Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1223 PHE Chi-restraints excluded: chain C residue 1224 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2173 GLN Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 CYS Chi-restraints excluded: chain C residue 2236 LEU 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 2249 SER Chi-restraints excluded: chain C residue 2255 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2313 LEU Chi-restraints excluded: chain C residue 2318 TYR Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2425 PHE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2769 ASP Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2788 HIS Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2871 LEU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 2937 VAL Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3650 CYS Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4557 ARG Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 LEU Chi-restraints excluded: chain C residue 4815 ASP Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 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 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 61 ASP Chi-restraints excluded: chain D residue 62 LEU 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 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 127 MET Chi-restraints excluded: chain D residue 129 ASP Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 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 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 496 VAL Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 603 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 661 LYS Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 873 LYS Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 901 LYS Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 920 TYR Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 953 THR Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 970 LEU Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1130 GLN Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1224 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2176 ASN 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 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2360 LYS Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2425 PHE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2435 ARG Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2765 LYS Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2805 TYR Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3650 CYS Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4015 GLU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4031 LEU Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4779 LYS Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 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 4825 THR Chi-restraints excluded: chain D residue 4833 ASN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4863 TYR Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4900 GLU Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5011 TRP Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4832 HIS ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4973 HIS B 44 ASN ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4832 HIS ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4832 HIS D4973 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8576 moved from start: 1.0055 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.361 119312 Z= 3.295 Angle : 3.101 33.887 162720 Z= 1.546 Chirality : 0.140 0.686 19040 Planarity : 0.019 0.252 21416 Dihedral : 14.547 168.815 17649 Min Nonbonded Distance : 1.300 Molprobity Statistics. All-atom Clashscore : 99.18 Ramachandran Plot: Outliers : 2.42 % Allowed : 37.12 % Favored : 60.46 % Rotamer: Outliers : 28.70 % Allowed : 27.02 % Favored : 44.28 % Cbeta Deviations : 0.34 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.91 % Twisted General : 4.21 % 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: -7.37 (0.04), residues: 12808 helix: -4.61 (0.03), residues: 6028 sheet: -4.25 (0.12), residues: 1104 loop : -5.35 (0.05), residues: 5676 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.087 0.009 TRP A4205 HIS 0.052 0.006 HIS C 502 PHE 0.110 0.010 PHE A4195 TYR 0.069 0.009 TYR B 659 ARG 0.055 0.003 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3438 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2885 poor density : 553 time to evaluate : 8.960 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: A 15 ARG cc_start: 0.8418 (OUTLIER) cc_final: 0.8099 (ptm160) REVERT: A 23 GLN cc_start: 0.8372 (OUTLIER) cc_final: 0.8107 (mt0) REVERT: A 69 LEU cc_start: 0.8792 (OUTLIER) cc_final: 0.8393 (mp) REVERT: A 137 LEU cc_start: 0.9327 (OUTLIER) cc_final: 0.9060 (mp) REVERT: A 157 ARG cc_start: 0.8513 (OUTLIER) cc_final: 0.8003 (mmp80) REVERT: A 202 MET cc_start: 0.8333 (tpp) cc_final: 0.8021 (tpp) REVERT: A 275 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8355 (ptp90) REVERT: A 384 MET cc_start: 0.8585 (pmm) cc_final: 0.8342 (pmm) REVERT: A 396 GLU cc_start: 0.9232 (OUTLIER) cc_final: 0.8941 (pm20) REVERT: A 421 PHE cc_start: 0.8544 (OUTLIER) cc_final: 0.6909 (p90) REVERT: A 443 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8727 (tt) REVERT: A 462 GLU cc_start: 0.8513 (OUTLIER) cc_final: 0.7998 (pm20) REVERT: A 469 ARG cc_start: 0.8973 (OUTLIER) cc_final: 0.8727 (ttm-80) REVERT: A 474 ARG cc_start: 0.9484 (OUTLIER) cc_final: 0.9166 (ttp-110) REVERT: A 531 ARG cc_start: 0.9344 (OUTLIER) cc_final: 0.8820 (ptp-110) REVERT: A 534 ARG cc_start: 0.8755 (OUTLIER) cc_final: 0.7829 (tpt-90) REVERT: A 552 ASP cc_start: 0.8541 (OUTLIER) cc_final: 0.8230 (m-30) REVERT: A 603 LEU cc_start: 0.9697 (OUTLIER) cc_final: 0.9303 (tt) REVERT: A 634 GLN cc_start: 0.9225 (OUTLIER) cc_final: 0.8731 (mm-40) REVERT: A 709 ASP cc_start: 0.8987 (OUTLIER) cc_final: 0.8699 (m-30) REVERT: A 758 ARG cc_start: 0.8017 (OUTLIER) cc_final: 0.7235 (mmm-85) REVERT: A 800 PHE cc_start: 0.8942 (OUTLIER) cc_final: 0.8461 (t80) REVERT: A 813 GLU cc_start: 0.7031 (OUTLIER) cc_final: 0.6657 (tm-30) REVERT: A 818 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8231 (ptp-170) REVERT: A 829 TYR cc_start: 0.9409 (OUTLIER) cc_final: 0.9180 (p90) REVERT: A 880 GLU cc_start: 0.7561 (OUTLIER) cc_final: 0.6414 (tm-30) REVERT: A 1038 SER cc_start: 0.8522 (OUTLIER) cc_final: 0.8275 (t) REVERT: A 1079 LYS cc_start: 0.9538 (OUTLIER) cc_final: 0.9297 (mtmt) REVERT: A 1180 ARG cc_start: 0.8817 (OUTLIER) cc_final: 0.8047 (mpp80) REVERT: A 1186 ASP cc_start: 0.8787 (OUTLIER) cc_final: 0.8488 (m-30) REVERT: A 1202 LEU cc_start: 0.9779 (OUTLIER) cc_final: 0.9362 (tp) REVERT: A 1274 HIS cc_start: 0.9363 (OUTLIER) cc_final: 0.9031 (t-170) REVERT: A 1720 LEU cc_start: 0.9322 (OUTLIER) cc_final: 0.8981 (pp) REVERT: A 1733 GLU cc_start: 0.8482 (OUTLIER) cc_final: 0.8027 (mm-30) REVERT: A 1858 ASP cc_start: 0.9049 (OUTLIER) cc_final: 0.8756 (m-30) REVERT: A 1973 GLN cc_start: 0.9374 (OUTLIER) cc_final: 0.9165 (tm-30) REVERT: A 2126 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8709 (mtp85) REVERT: A 2140 ARG cc_start: 0.9277 (OUTLIER) cc_final: 0.7760 (mtp85) REVERT: A 2173 GLN cc_start: 0.9185 (OUTLIER) cc_final: 0.8849 (tp40) REVERT: A 2186 MET cc_start: 0.8850 (ppp) cc_final: 0.8510 (ppp) REVERT: A 2208 MET cc_start: 0.9339 (OUTLIER) cc_final: 0.9014 (ttt) REVERT: A 2228 MET cc_start: 0.9111 (tpp) cc_final: 0.8875 (tpp) REVERT: A 2268 GLN cc_start: 0.7276 (OUTLIER) cc_final: 0.6583 (pm20) REVERT: A 2285 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.8029 (tm-30) REVERT: A 2318 TYR cc_start: 0.8129 (OUTLIER) cc_final: 0.7386 (m-10) REVERT: A 2331 TYR cc_start: 0.8239 (OUTLIER) cc_final: 0.7913 (m-80) REVERT: A 2360 LYS cc_start: 0.9275 (OUTLIER) cc_final: 0.9024 (mmtm) REVERT: A 2364 PHE cc_start: 0.8613 (OUTLIER) cc_final: 0.8212 (m-80) REVERT: A 2735 PHE cc_start: 0.6099 (OUTLIER) cc_final: 0.5387 (m-80) REVERT: A 2786 LYS cc_start: -0.0724 (OUTLIER) cc_final: -0.1023 (mptt) REVERT: A 2871 LEU cc_start: -0.2567 (OUTLIER) cc_final: -0.2862 (tt) REVERT: A 2878 LEU cc_start: 0.8768 (tp) cc_final: 0.8436 (tp) REVERT: A 3643 ASN cc_start: 0.9290 (OUTLIER) cc_final: 0.8998 (p0) REVERT: A 3655 GLU cc_start: 0.8323 (OUTLIER) cc_final: 0.7952 (pp20) REVERT: A 3658 LYS cc_start: 0.5973 (OUTLIER) cc_final: 0.5319 (mmtt) REVERT: A 3734 HIS cc_start: 0.8325 (OUTLIER) cc_final: 0.7754 (t70) REVERT: A 3764 LEU cc_start: 0.9601 (OUTLIER) cc_final: 0.9245 (mp) REVERT: A 3767 GLN cc_start: 0.9262 (OUTLIER) cc_final: 0.8750 (mt0) REVERT: A 3789 GLU cc_start: 0.8021 (OUTLIER) cc_final: 0.7685 (tm-30) REVERT: A 3959 LYS cc_start: 0.9570 (OUTLIER) cc_final: 0.9337 (ttmt) REVERT: A 4069 LYS cc_start: 0.9413 (OUTLIER) cc_final: 0.8974 (tptt) REVERT: A 4114 CYS cc_start: 0.9108 (OUTLIER) cc_final: 0.8738 (t) REVERT: A 4205 TRP cc_start: 0.9803 (OUTLIER) cc_final: 0.9514 (t-100) REVERT: A 4207 MET cc_start: 0.9051 (mmm) cc_final: 0.8806 (mmm) REVERT: A 4215 ARG cc_start: 0.8511 (OUTLIER) cc_final: 0.7740 (ttt180) REVERT: A 4634 GLU cc_start: 0.2900 (OUTLIER) cc_final: 0.2608 (tt0) REVERT: A 4679 ARG cc_start: 0.9292 (OUTLIER) cc_final: 0.8984 (mtt-85) REVERT: A 4743 MET cc_start: 0.8813 (mpp) cc_final: 0.8438 (mpp) REVERT: A 4806 ASN cc_start: 0.8557 (OUTLIER) cc_final: 0.8198 (p0) REVERT: A 4897 ILE cc_start: 0.8414 (OUTLIER) cc_final: 0.8205 (tp) REVERT: A 4900 GLU cc_start: 0.7731 (OUTLIER) cc_final: 0.7514 (tm-30) REVERT: A 4973 HIS cc_start: 0.8242 (OUTLIER) cc_final: 0.6762 (m-70) REVERT: A 4978 HIS cc_start: 0.7355 (OUTLIER) cc_final: 0.6843 (t-170) REVERT: B 15 ARG cc_start: 0.8288 (OUTLIER) cc_final: 0.7979 (ptm160) REVERT: B 69 LEU cc_start: 0.8758 (OUTLIER) cc_final: 0.8360 (mp) REVERT: B 137 LEU cc_start: 0.9326 (OUTLIER) cc_final: 0.9057 (mp) REVERT: B 157 ARG cc_start: 0.8527 (OUTLIER) cc_final: 0.8018 (mmp80) REVERT: B 202 MET cc_start: 0.8325 (tpp) cc_final: 0.8018 (tpp) REVERT: B 275 ARG cc_start: 0.8549 (OUTLIER) cc_final: 0.8205 (ptp90) REVERT: B 384 MET cc_start: 0.8588 (pmm) cc_final: 0.8386 (pmm) REVERT: B 396 GLU cc_start: 0.9220 (OUTLIER) cc_final: 0.8920 (pm20) REVERT: B 421 PHE cc_start: 0.8546 (OUTLIER) cc_final: 0.6909 (p90) REVERT: B 443 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8730 (tt) REVERT: B 445 LEU cc_start: 0.9641 (OUTLIER) cc_final: 0.9425 (mm) REVERT: B 462 GLU cc_start: 0.8493 (OUTLIER) cc_final: 0.7944 (pm20) REVERT: B 469 ARG cc_start: 0.8956 (OUTLIER) cc_final: 0.8683 (ttm-80) REVERT: B 474 ARG cc_start: 0.9474 (OUTLIER) cc_final: 0.9226 (ttp-110) REVERT: B 478 PHE cc_start: 0.9313 (OUTLIER) cc_final: 0.8992 (t80) REVERT: B 534 ARG cc_start: 0.8836 (OUTLIER) cc_final: 0.8039 (tpt-90) REVERT: B 603 LEU cc_start: 0.9696 (OUTLIER) cc_final: 0.9302 (tt) REVERT: B 674 PHE cc_start: 0.9431 (OUTLIER) cc_final: 0.9207 (t80) REVERT: B 725 HIS cc_start: 0.9348 (OUTLIER) cc_final: 0.8200 (t-90) REVERT: B 758 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.7270 (mmm-85) REVERT: B 800 PHE cc_start: 0.8935 (OUTLIER) cc_final: 0.8461 (t80) REVERT: B 813 GLU cc_start: 0.6979 (OUTLIER) cc_final: 0.6628 (tm-30) REVERT: B 818 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8107 (ptp-170) REVERT: B 821 LEU cc_start: 0.9559 (OUTLIER) cc_final: 0.9201 (tp) REVERT: B 835 ARG cc_start: 0.7960 (OUTLIER) cc_final: 0.7532 (ptm160) REVERT: B 880 GLU cc_start: 0.7445 (OUTLIER) cc_final: 0.6359 (tm-30) REVERT: B 1038 SER cc_start: 0.8487 (OUTLIER) cc_final: 0.8238 (t) REVERT: B 1079 LYS cc_start: 0.9548 (OUTLIER) cc_final: 0.9304 (mtmt) REVERT: B 1186 ASP cc_start: 0.8800 (OUTLIER) cc_final: 0.8483 (m-30) REVERT: B 1202 LEU cc_start: 0.9774 (OUTLIER) cc_final: 0.9440 (tp) REVERT: B 1230 MET cc_start: 0.8440 (OUTLIER) cc_final: 0.7966 (mmt) REVERT: B 1733 GLU cc_start: 0.8514 (OUTLIER) cc_final: 0.8166 (mm-30) REVERT: B 1858 ASP cc_start: 0.9051 (OUTLIER) cc_final: 0.8754 (m-30) REVERT: B 1973 GLN cc_start: 0.9378 (OUTLIER) cc_final: 0.9165 (tm-30) REVERT: B 2014 ASP cc_start: 0.5808 (OUTLIER) cc_final: 0.4753 (m-30) REVERT: B 2126 ARG cc_start: 0.9127 (OUTLIER) cc_final: 0.8698 (mtp85) REVERT: B 2140 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.7707 (mtp85) REVERT: B 2163 ARG cc_start: 0.9281 (OUTLIER) cc_final: 0.8550 (ttp80) REVERT: B 2173 GLN cc_start: 0.9185 (OUTLIER) cc_final: 0.8774 (tp40) REVERT: B 2186 MET cc_start: 0.8792 (ppp) cc_final: 0.8389 (ppp) REVERT: B 2208 MET cc_start: 0.9344 (OUTLIER) cc_final: 0.9009 (ttt) REVERT: B 2268 GLN cc_start: 0.7244 (OUTLIER) cc_final: 0.6547 (pm20) REVERT: B 2285 GLU cc_start: 0.8366 (OUTLIER) cc_final: 0.8034 (tm-30) REVERT: B 2318 TYR cc_start: 0.8154 (OUTLIER) cc_final: 0.7537 (m-10) REVERT: B 2331 TYR cc_start: 0.8251 (OUTLIER) cc_final: 0.7949 (m-80) REVERT: B 2360 LYS cc_start: 0.9267 (OUTLIER) cc_final: 0.9005 (mmtm) REVERT: B 2364 PHE cc_start: 0.8603 (OUTLIER) cc_final: 0.8231 (m-80) REVERT: B 2735 PHE cc_start: 0.5852 (OUTLIER) cc_final: 0.5161 (m-80) REVERT: B 2765 LYS cc_start: 0.4635 (OUTLIER) cc_final: 0.4239 (mmtm) REVERT: B 2871 LEU cc_start: -0.2553 (OUTLIER) cc_final: -0.2862 (tt) REVERT: B 2878 LEU cc_start: 0.8905 (tp) cc_final: 0.8573 (tp) REVERT: B 3643 ASN cc_start: 0.9265 (OUTLIER) cc_final: 0.8942 (p0) REVERT: B 3655 GLU cc_start: 0.8331 (OUTLIER) cc_final: 0.7977 (pp20) REVERT: B 3658 LYS cc_start: 0.5956 (OUTLIER) cc_final: 0.5364 (mmtt) REVERT: B 3734 HIS cc_start: 0.8415 (OUTLIER) cc_final: 0.7799 (t70) REVERT: B 3764 LEU cc_start: 0.9604 (OUTLIER) cc_final: 0.9242 (mp) REVERT: B 3767 GLN cc_start: 0.9247 (OUTLIER) cc_final: 0.8730 (mt0) REVERT: B 3789 GLU cc_start: 0.8027 (OUTLIER) cc_final: 0.7666 (tm-30) REVERT: B 3949 ARG cc_start: 0.8581 (OUTLIER) cc_final: 0.8095 (ttm110) REVERT: B 3959 LYS cc_start: 0.9575 (OUTLIER) cc_final: 0.9314 (ttmt) REVERT: B 4032 GLU cc_start: 0.8970 (OUTLIER) cc_final: 0.8735 (tm-30) REVERT: B 4069 LYS cc_start: 0.9395 (OUTLIER) cc_final: 0.8936 (tptt) REVERT: B 4114 CYS cc_start: 0.9108 (OUTLIER) cc_final: 0.8749 (t) REVERT: B 4205 TRP cc_start: 0.9796 (OUTLIER) cc_final: 0.9530 (t-100) REVERT: B 4215 ARG cc_start: 0.8449 (OUTLIER) cc_final: 0.8054 (ttt180) REVERT: B 4557 ARG cc_start: 0.8994 (OUTLIER) cc_final: 0.8482 (mtm110) REVERT: B 4679 ARG cc_start: 0.9278 (OUTLIER) cc_final: 0.8971 (mtt-85) REVERT: B 4743 MET cc_start: 0.8857 (mpp) cc_final: 0.8449 (mpp) REVERT: B 4806 ASN cc_start: 0.8680 (OUTLIER) cc_final: 0.8378 (p0) REVERT: B 4880 MET cc_start: 0.9465 (OUTLIER) cc_final: 0.8858 (tpp) REVERT: B 4973 HIS cc_start: 0.8440 (OUTLIER) cc_final: 0.7325 (m90) REVERT: B 4978 HIS cc_start: 0.7565 (OUTLIER) cc_final: 0.6988 (t70) REVERT: B 5026 ASP cc_start: 0.9146 (OUTLIER) cc_final: 0.8734 (m-30) REVERT: C 15 ARG cc_start: 0.8427 (OUTLIER) cc_final: 0.8083 (ptm160) REVERT: C 23 GLN cc_start: 0.8361 (OUTLIER) cc_final: 0.8083 (mt0) REVERT: C 69 LEU cc_start: 0.8778 (OUTLIER) cc_final: 0.8379 (mp) REVERT: C 137 LEU cc_start: 0.9323 (OUTLIER) cc_final: 0.9058 (mp) REVERT: C 157 ARG cc_start: 0.8340 (OUTLIER) cc_final: 0.8044 (mmp80) REVERT: C 161 GLU cc_start: 0.8815 (OUTLIER) cc_final: 0.8491 (pt0) REVERT: C 202 MET cc_start: 0.8338 (tpp) cc_final: 0.8028 (tpp) REVERT: C 275 ARG cc_start: 0.8636 (OUTLIER) cc_final: 0.8384 (ptp90) REVERT: C 359 TYR cc_start: 0.9269 (OUTLIER) cc_final: 0.8872 (p90) REVERT: C 396 GLU cc_start: 0.9239 (OUTLIER) cc_final: 0.8947 (pm20) REVERT: C 421 PHE cc_start: 0.8520 (OUTLIER) cc_final: 0.6851 (p90) REVERT: C 445 LEU cc_start: 0.9646 (OUTLIER) cc_final: 0.9432 (mm) REVERT: C 451 TYR cc_start: 0.9675 (OUTLIER) cc_final: 0.9440 (t80) REVERT: C 462 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.7951 (pm20) REVERT: C 469 ARG cc_start: 0.8961 (OUTLIER) cc_final: 0.8741 (ttm-80) REVERT: C 474 ARG cc_start: 0.9496 (OUTLIER) cc_final: 0.9274 (ttp-170) REVERT: C 534 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.7820 (tpt-90) REVERT: C 603 LEU cc_start: 0.9700 (OUTLIER) cc_final: 0.9298 (tt) REVERT: C 661 LYS cc_start: 0.9198 (OUTLIER) cc_final: 0.8855 (ptpt) REVERT: C 674 PHE cc_start: 0.9472 (OUTLIER) cc_final: 0.9270 (t80) REVERT: C 725 HIS cc_start: 0.9318 (OUTLIER) cc_final: 0.8170 (t-90) REVERT: C 758 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.7177 (mmm-85) REVERT: C 797 HIS cc_start: 0.6679 (OUTLIER) cc_final: 0.5898 (m90) REVERT: C 800 PHE cc_start: 0.8939 (OUTLIER) cc_final: 0.8427 (t80) REVERT: C 813 GLU cc_start: 0.7023 (OUTLIER) cc_final: 0.6664 (tm-30) REVERT: C 818 ARG cc_start: 0.8594 (OUTLIER) cc_final: 0.8161 (ptp-170) REVERT: C 835 ARG cc_start: 0.7881 (OUTLIER) cc_final: 0.7385 (ptm160) REVERT: C 880 GLU cc_start: 0.7455 (OUTLIER) cc_final: 0.6480 (tm-30) REVERT: C 884 LEU cc_start: 0.7453 (OUTLIER) cc_final: 0.7181 (tt) REVERT: C 969 PRO cc_start: 0.4017 (OUTLIER) cc_final: 0.3641 (Cg_endo) REVERT: C 1038 SER cc_start: 0.8442 (OUTLIER) cc_final: 0.8205 (t) REVERT: C 1079 LYS cc_start: 0.9555 (OUTLIER) cc_final: 0.9315 (mtmt) REVERT: C 1180 ARG cc_start: 0.8754 (OUTLIER) cc_final: 0.8005 (mpp80) REVERT: C 1186 ASP cc_start: 0.8802 (OUTLIER) cc_final: 0.8482 (m-30) REVERT: C 1202 LEU cc_start: 0.9773 (OUTLIER) cc_final: 0.9385 (tp) REVERT: C 1221 GLU cc_start: 0.9223 (OUTLIER) cc_final: 0.9007 (tp30) REVERT: C 1230 MET cc_start: 0.8514 (OUTLIER) cc_final: 0.8030 (mmt) REVERT: C 1601 MET cc_start: 0.8917 (OUTLIER) cc_final: 0.8447 (mmt) REVERT: C 1644 GLU cc_start: 0.8597 (OUTLIER) cc_final: 0.8308 (tm-30) REVERT: C 1661 ARG cc_start: 0.9015 (OUTLIER) cc_final: 0.8804 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9327 (OUTLIER) cc_final: 0.8956 (tm130) REVERT: C 1720 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.9021 (pp) REVERT: C 1733 GLU cc_start: 0.8480 (OUTLIER) cc_final: 0.8065 (mm-30) REVERT: C 1858 ASP cc_start: 0.9050 (OUTLIER) cc_final: 0.8750 (m-30) REVERT: C 1973 GLN cc_start: 0.9381 (OUTLIER) cc_final: 0.9161 (tm-30) REVERT: C 2126 ARG cc_start: 0.9129 (OUTLIER) cc_final: 0.8700 (mtp85) REVERT: C 2140 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.7735 (mtp85) REVERT: C 2163 ARG cc_start: 0.9264 (OUTLIER) cc_final: 0.8557 (ttp80) REVERT: C 2173 GLN cc_start: 0.9190 (OUTLIER) cc_final: 0.8947 (tp40) REVERT: C 2186 MET cc_start: 0.8816 (ppp) cc_final: 0.8487 (ppp) REVERT: C 2208 MET cc_start: 0.9330 (OUTLIER) cc_final: 0.8985 (ttt) REVERT: C 2228 MET cc_start: 0.9278 (tpp) cc_final: 0.9040 (tpp) REVERT: C 2268 GLN cc_start: 0.7042 (OUTLIER) cc_final: 0.6411 (pm20) REVERT: C 2285 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8127 (tm-30) REVERT: C 2318 TYR cc_start: 0.8167 (OUTLIER) cc_final: 0.7903 (m-10) REVERT: C 2349 ASN cc_start: 0.9565 (OUTLIER) cc_final: 0.9360 (m-40) REVERT: C 2360 LYS cc_start: 0.9232 (OUTLIER) cc_final: 0.8977 (mmtm) REVERT: C 2364 PHE cc_start: 0.8583 (OUTLIER) cc_final: 0.8228 (m-80) REVERT: C 2735 PHE cc_start: 0.6008 (OUTLIER) cc_final: 0.5367 (m-80) REVERT: C 2871 LEU cc_start: -0.2527 (OUTLIER) cc_final: -0.2849 (tt) REVERT: C 2878 LEU cc_start: 0.8888 (tp) cc_final: 0.8558 (tp) REVERT: C 3643 ASN cc_start: 0.9289 (OUTLIER) cc_final: 0.8959 (p0) REVERT: C 3655 GLU cc_start: 0.8318 (OUTLIER) cc_final: 0.7904 (pp20) REVERT: C 3658 LYS cc_start: 0.6068 (OUTLIER) cc_final: 0.5403 (mmtt) REVERT: C 3734 HIS cc_start: 0.8344 (OUTLIER) cc_final: 0.7763 (t70) REVERT: C 3764 LEU cc_start: 0.9612 (OUTLIER) cc_final: 0.9251 (mp) REVERT: C 3767 GLN cc_start: 0.9250 (OUTLIER) cc_final: 0.8745 (mt0) REVERT: C 3789 GLU cc_start: 0.8043 (OUTLIER) cc_final: 0.7676 (tm-30) REVERT: C 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9329 (ttmt) REVERT: C 4069 LYS cc_start: 0.9395 (OUTLIER) cc_final: 0.8932 (tptt) REVERT: C 4114 CYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8759 (t) REVERT: C 4205 TRP cc_start: 0.9793 (OUTLIER) cc_final: 0.9475 (t-100) REVERT: C 4557 ARG cc_start: 0.8984 (OUTLIER) cc_final: 0.8470 (mtm110) REVERT: C 4679 ARG cc_start: 0.9298 (OUTLIER) cc_final: 0.8974 (mtt-85) REVERT: C 4743 MET cc_start: 0.8812 (mpp) cc_final: 0.8440 (mpp) REVERT: C 4806 ASN cc_start: 0.8520 (OUTLIER) cc_final: 0.8143 (p0) REVERT: C 4833 ASN cc_start: 0.9159 (OUTLIER) cc_final: 0.8637 (m-40) REVERT: C 4879 MET cc_start: 0.9146 (pmm) cc_final: 0.8878 (pmm) REVERT: C 4886 HIS cc_start: 0.8517 (OUTLIER) cc_final: 0.7910 (m170) REVERT: C 4897 ILE cc_start: 0.8437 (OUTLIER) cc_final: 0.8122 (tp) REVERT: C 4973 HIS cc_start: 0.8236 (OUTLIER) cc_final: 0.6738 (m-70) REVERT: C 4978 HIS cc_start: 0.7616 (OUTLIER) cc_final: 0.6934 (t-170) REVERT: D 15 ARG cc_start: 0.8370 (OUTLIER) cc_final: 0.8030 (ptm160) REVERT: D 23 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.8047 (mt0) REVERT: D 69 LEU cc_start: 0.8783 (OUTLIER) cc_final: 0.8349 (mp) REVERT: D 137 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.9041 (mp) REVERT: D 157 ARG cc_start: 0.8508 (OUTLIER) cc_final: 0.8024 (mmp80) REVERT: D 202 MET cc_start: 0.8280 (tpp) cc_final: 0.7963 (tpp) REVERT: D 275 ARG cc_start: 0.8537 (OUTLIER) cc_final: 0.8169 (ptp90) REVERT: D 396 GLU cc_start: 0.9243 (OUTLIER) cc_final: 0.8966 (pm20) REVERT: D 421 PHE cc_start: 0.8572 (OUTLIER) cc_final: 0.6921 (p90) REVERT: D 443 LEU cc_start: 0.8989 (OUTLIER) cc_final: 0.8699 (tt) REVERT: D 462 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.7996 (pm20) REVERT: D 478 PHE cc_start: 0.9324 (OUTLIER) cc_final: 0.9064 (t80) REVERT: D 515 TRP cc_start: 0.9640 (OUTLIER) cc_final: 0.9437 (t60) REVERT: D 534 ARG cc_start: 0.8929 (OUTLIER) cc_final: 0.8106 (tpt-90) REVERT: D 552 ASP cc_start: 0.8462 (OUTLIER) cc_final: 0.8080 (m-30) REVERT: D 603 LEU cc_start: 0.9714 (OUTLIER) cc_final: 0.9350 (tt) REVERT: D 634 GLN cc_start: 0.9203 (OUTLIER) cc_final: 0.8713 (mm-40) REVERT: D 725 HIS cc_start: 0.9334 (OUTLIER) cc_final: 0.8319 (t-90) REVERT: D 758 ARG cc_start: 0.8038 (OUTLIER) cc_final: 0.7217 (mmm-85) REVERT: D 800 PHE cc_start: 0.8977 (OUTLIER) cc_final: 0.8406 (t80) REVERT: D 813 GLU cc_start: 0.6932 (OUTLIER) cc_final: 0.5913 (tp30) REVERT: D 818 ARG cc_start: 0.8869 (OUTLIER) cc_final: 0.8228 (ptp-170) REVERT: D 880 GLU cc_start: 0.7602 (OUTLIER) cc_final: 0.6335 (tm-30) REVERT: D 1038 SER cc_start: 0.8677 (OUTLIER) cc_final: 0.8449 (t) REVERT: D 1079 LYS cc_start: 0.9531 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: D 1180 ARG cc_start: 0.8786 (OUTLIER) cc_final: 0.7881 (mpp80) REVERT: D 1186 ASP cc_start: 0.8797 (OUTLIER) cc_final: 0.8521 (m-30) REVERT: D 1202 LEU cc_start: 0.9790 (OUTLIER) cc_final: 0.9391 (tp) REVERT: D 1230 MET cc_start: 0.8432 (OUTLIER) cc_final: 0.7921 (mmt) REVERT: D 1274 HIS cc_start: 0.9349 (OUTLIER) cc_final: 0.8941 (t-170) REVERT: D 1691 GLN cc_start: 0.9335 (OUTLIER) cc_final: 0.8931 (tm130) REVERT: D 1720 LEU cc_start: 0.9315 (OUTLIER) cc_final: 0.9018 (pp) REVERT: D 1733 GLU cc_start: 0.8486 (OUTLIER) cc_final: 0.8155 (mm-30) REVERT: D 1973 GLN cc_start: 0.9384 (OUTLIER) cc_final: 0.9171 (tm-30) REVERT: D 2104 ARG cc_start: 0.9015 (OUTLIER) cc_final: 0.8735 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9145 (OUTLIER) cc_final: 0.8712 (mtp85) REVERT: D 2140 ARG cc_start: 0.9282 (OUTLIER) cc_final: 0.7787 (mtp85) REVERT: D 2163 ARG cc_start: 0.9233 (OUTLIER) cc_final: 0.8544 (ttp80) REVERT: D 2173 GLN cc_start: 0.9180 (OUTLIER) cc_final: 0.8790 (tp40) REVERT: D 2186 MET cc_start: 0.8851 (ppp) cc_final: 0.8521 (ppp) REVERT: D 2208 MET cc_start: 0.9340 (OUTLIER) cc_final: 0.9013 (ttt) REVERT: D 2268 GLN cc_start: 0.7156 (OUTLIER) cc_final: 0.6453 (pm20) REVERT: D 2285 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8052 (tm-30) REVERT: D 2318 TYR cc_start: 0.8120 (OUTLIER) cc_final: 0.7699 (m-10) REVERT: D 2331 TYR cc_start: 0.8341 (OUTLIER) cc_final: 0.8022 (m-80) REVERT: D 2360 LYS cc_start: 0.9258 (OUTLIER) cc_final: 0.9018 (mmtm) REVERT: D 2364 PHE cc_start: 0.8723 (OUTLIER) cc_final: 0.8319 (m-80) REVERT: D 2735 PHE cc_start: 0.5754 (OUTLIER) cc_final: 0.5225 (m-80) REVERT: D 2792 ARG cc_start: -0.0721 (OUTLIER) cc_final: -0.1518 (mtt90) REVERT: D 2871 LEU cc_start: -0.2438 (OUTLIER) cc_final: -0.2721 (tt) REVERT: D 2878 LEU cc_start: 0.8858 (tp) cc_final: 0.8543 (tp) REVERT: D 3643 ASN cc_start: 0.9268 (OUTLIER) cc_final: 0.8986 (p0) REVERT: D 3655 GLU cc_start: 0.8338 (OUTLIER) cc_final: 0.7966 (pp20) REVERT: D 3658 LYS cc_start: 0.6041 (OUTLIER) cc_final: 0.5360 (mmtt) REVERT: D 3734 HIS cc_start: 0.8370 (OUTLIER) cc_final: 0.7803 (t70) REVERT: D 3764 LEU cc_start: 0.9609 (OUTLIER) cc_final: 0.9241 (mp) REVERT: D 3767 GLN cc_start: 0.9277 (OUTLIER) cc_final: 0.8809 (mt0) REVERT: D 3789 GLU cc_start: 0.8051 (OUTLIER) cc_final: 0.7705 (tm-30) REVERT: D 3959 LYS cc_start: 0.9578 (OUTLIER) cc_final: 0.9319 (ttmt) REVERT: D 4015 GLU cc_start: 0.8868 (OUTLIER) cc_final: 0.7978 (tp30) REVERT: D 4069 LYS cc_start: 0.9416 (OUTLIER) cc_final: 0.8977 (tptt) REVERT: D 4114 CYS cc_start: 0.8999 (OUTLIER) cc_final: 0.8646 (t) REVERT: D 4205 TRP cc_start: 0.9808 (OUTLIER) cc_final: 0.9498 (t-100) REVERT: D 4215 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.7586 (ttt180) REVERT: D 4634 GLU cc_start: 0.2591 (OUTLIER) cc_final: 0.2259 (tt0) REVERT: D 4679 ARG cc_start: 0.9288 (OUTLIER) cc_final: 0.8979 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7945 (OUTLIER) cc_final: 0.7660 (t0) REVERT: D 4743 MET cc_start: 0.8823 (mpp) cc_final: 0.8451 (mpp) REVERT: D 4806 ASN cc_start: 0.8586 (OUTLIER) cc_final: 0.8259 (p0) REVERT: D 4877 ASP cc_start: 0.7970 (OUTLIER) cc_final: 0.7570 (m-30) REVERT: D 4900 GLU cc_start: 0.7679 (OUTLIER) cc_final: 0.7392 (tm-30) REVERT: D 4973 HIS cc_start: 0.8254 (OUTLIER) cc_final: 0.6678 (m-70) REVERT: D 4978 HIS cc_start: 0.7819 (OUTLIER) cc_final: 0.7048 (t-170) REVERT: D 5026 ASP cc_start: 0.9140 (OUTLIER) cc_final: 0.8755 (m-30) outliers start: 2885 outliers final: 2334 residues processed: 3284 average time/residue: 0.8909 time to fit residues: 5270.1384 Evaluate side-chains 3164 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2614 poor density : 550 time to evaluate : 9.055 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU 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 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS 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 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 207 SER 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 340 LYS 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 379 HIS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 474 ARG Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 489 ASN Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 531 ARG Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 603 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 858 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 873 LYS Chi-restraints excluded: chain A residue 874 LEU Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 920 TYR Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1223 PHE Chi-restraints excluded: chain A residue 1224 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2173 GLN Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2313 LEU Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2360 LYS Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2425 PHE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2753 SER Chi-restraints excluded: chain A residue 2755 ILE Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2786 LYS Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3650 CYS Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3955 MET Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4557 ARG Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4772 ASP Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4779 LYS Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 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 4825 THR Chi-restraints excluded: chain A residue 4830 VAL 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 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4900 GLU Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4931 ILE Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 207 SER Chi-restraints excluded: chain B residue 210 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 489 ASN Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 639 ASN 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 661 LYS Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 818 ARG Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 873 LYS Chi-restraints excluded: chain B residue 874 LEU Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 901 LYS Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 911 HIS Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 969 PRO Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1053 ILE Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1223 PHE Chi-restraints excluded: chain B residue 1224 GLU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2173 GLN Chi-restraints excluded: chain B residue 2176 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2425 PHE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2758 PHE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2765 LYS Chi-restraints excluded: chain B residue 2769 ASP Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2788 HIS Chi-restraints excluded: chain B residue 2798 SER Chi-restraints excluded: chain B residue 2803 GLU Chi-restraints excluded: chain B residue 2805 TYR Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2871 LEU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 2937 VAL Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3650 CYS Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4080 TYR Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4557 ARG Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 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 4576 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4657 CYS Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4714 ASN Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 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 4825 THR Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4938 ASP Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 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 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 207 SER Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 445 LEU Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 474 ARG Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 496 VAL Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 502 HIS Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 624 ASN Chi-restraints excluded: chain C residue 639 ASN 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 661 LYS Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 725 HIS Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 813 GLU Chi-restraints excluded: chain C residue 818 ARG Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 858 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 873 LYS Chi-restraints excluded: chain C residue 874 LEU Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 901 LYS Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 920 TYR Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1053 ILE Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1186 ASP Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1217 CYS Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1223 PHE Chi-restraints excluded: chain C residue 1224 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2173 GLN Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 CYS Chi-restraints excluded: chain C residue 2236 LEU 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 2249 SER Chi-restraints excluded: chain C residue 2255 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2318 TYR Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2425 PHE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2741 GLU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2753 SER Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2758 PHE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2769 ASP Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2788 HIS Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2871 LEU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3817 LEU Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4557 ARG Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 LEU Chi-restraints excluded: chain C residue 4815 ASP Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4820 VAL Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4833 ASN Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 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 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 61 ASP Chi-restraints excluded: chain D residue 62 LEU Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS 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 129 ASP Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 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 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 496 VAL Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 596 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 603 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 647 ASN Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 725 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 873 LYS Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 920 TYR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 953 THR Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1130 GLN Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1224 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1236 THR Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2176 ASN 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 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2360 LYS Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2386 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2425 PHE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2798 SER Chi-restraints excluded: chain D residue 2803 GLU Chi-restraints excluded: chain D residue 2805 TYR Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3650 CYS Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4015 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 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 4825 THR Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4863 TYR Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4900 GLU Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5011 TRP Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1691 GLN ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4973 HIS ** C 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 919 ASN ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2763 HIS ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4832 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8577 moved from start: 1.0166 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.360 119312 Z= 3.294 Angle : 3.106 35.277 162720 Z= 1.548 Chirality : 0.140 0.669 19040 Planarity : 0.019 0.242 21416 Dihedral : 14.622 169.025 17649 Min Nonbonded Distance : 1.301 Molprobity Statistics. All-atom Clashscore : 99.51 Ramachandran Plot: Outliers : 2.41 % Allowed : 37.45 % Favored : 60.14 % Rotamer: Outliers : 27.97 % Allowed : 27.66 % Favored : 44.37 % Cbeta Deviations : 0.37 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.91 % 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: -7.38 (0.04), residues: 12808 helix: -4.62 (0.03), residues: 5996 sheet: -4.24 (0.12), residues: 1104 loop : -5.37 (0.06), residues: 5708 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.090 0.010 TRP D2807 HIS 0.055 0.007 HIS A4832 PHE 0.109 0.010 PHE A4195 TYR 0.077 0.009 TYR C 659 ARG 0.055 0.003 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3355 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2812 poor density : 543 time to evaluate : 9.000 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 15 ARG cc_start: 0.8382 (OUTLIER) cc_final: 0.8036 (ptm160) REVERT: A 23 GLN cc_start: 0.8370 (OUTLIER) cc_final: 0.8115 (mt0) REVERT: A 69 LEU cc_start: 0.8788 (OUTLIER) cc_final: 0.8388 (mp) REVERT: A 137 LEU cc_start: 0.9341 (OUTLIER) cc_final: 0.9064 (mp) REVERT: A 157 ARG cc_start: 0.8497 (OUTLIER) cc_final: 0.8022 (mmp80) REVERT: A 202 MET cc_start: 0.8308 (tpp) cc_final: 0.8078 (tpp) REVERT: A 275 ARG cc_start: 0.8643 (OUTLIER) cc_final: 0.8342 (ptp90) REVERT: A 384 MET cc_start: 0.8486 (pmm) cc_final: 0.8213 (pmm) REVERT: A 396 GLU cc_start: 0.9238 (OUTLIER) cc_final: 0.8935 (pm20) REVERT: A 421 PHE cc_start: 0.8534 (OUTLIER) cc_final: 0.6941 (p90) REVERT: A 443 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8736 (tt) REVERT: A 462 GLU cc_start: 0.8516 (OUTLIER) cc_final: 0.7994 (pm20) REVERT: A 469 ARG cc_start: 0.8971 (OUTLIER) cc_final: 0.8734 (ttm-80) REVERT: A 474 ARG cc_start: 0.9486 (OUTLIER) cc_final: 0.9242 (ttp-170) REVERT: A 531 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8774 (ptp-110) REVERT: A 534 ARG cc_start: 0.8791 (OUTLIER) cc_final: 0.7863 (tpt-90) REVERT: A 552 ASP cc_start: 0.8512 (OUTLIER) cc_final: 0.8084 (m-30) REVERT: A 603 LEU cc_start: 0.9696 (OUTLIER) cc_final: 0.9308 (tt) REVERT: A 634 GLN cc_start: 0.9229 (OUTLIER) cc_final: 0.8737 (mm-40) REVERT: A 661 LYS cc_start: 0.9191 (OUTLIER) cc_final: 0.8880 (ptpt) REVERT: A 709 ASP cc_start: 0.8986 (OUTLIER) cc_final: 0.8706 (m-30) REVERT: A 758 ARG cc_start: 0.7989 (OUTLIER) cc_final: 0.7179 (mmm-85) REVERT: A 800 PHE cc_start: 0.8951 (OUTLIER) cc_final: 0.8452 (t80) REVERT: A 813 GLU cc_start: 0.7118 (OUTLIER) cc_final: 0.6742 (tm-30) REVERT: A 818 ARG cc_start: 0.8812 (OUTLIER) cc_final: 0.8259 (ptp-170) REVERT: A 829 TYR cc_start: 0.9409 (OUTLIER) cc_final: 0.9186 (p90) REVERT: A 880 GLU cc_start: 0.7370 (OUTLIER) cc_final: 0.6157 (tm-30) REVERT: A 1038 SER cc_start: 0.8520 (OUTLIER) cc_final: 0.8271 (t) REVERT: A 1079 LYS cc_start: 0.9536 (OUTLIER) cc_final: 0.9296 (mtmt) REVERT: A 1180 ARG cc_start: 0.8771 (OUTLIER) cc_final: 0.8079 (mpp80) REVERT: A 1186 ASP cc_start: 0.8776 (OUTLIER) cc_final: 0.8470 (m-30) REVERT: A 1202 LEU cc_start: 0.9786 (OUTLIER) cc_final: 0.9368 (tp) REVERT: A 1221 GLU cc_start: 0.9159 (OUTLIER) cc_final: 0.8942 (tp30) REVERT: A 1274 HIS cc_start: 0.9359 (OUTLIER) cc_final: 0.9028 (t-170) REVERT: A 1720 LEU cc_start: 0.9325 (OUTLIER) cc_final: 0.8997 (pp) REVERT: A 1733 GLU cc_start: 0.8472 (OUTLIER) cc_final: 0.8051 (mm-30) REVERT: A 1858 ASP cc_start: 0.9047 (OUTLIER) cc_final: 0.8749 (m-30) REVERT: A 1973 GLN cc_start: 0.9373 (OUTLIER) cc_final: 0.9151 (tm-30) REVERT: A 2126 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8708 (mtp85) REVERT: A 2140 ARG cc_start: 0.9280 (OUTLIER) cc_final: 0.7749 (mtp85) REVERT: A 2163 ARG cc_start: 0.9267 (OUTLIER) cc_final: 0.8542 (ttp80) REVERT: A 2173 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8901 (tp40) REVERT: A 2186 MET cc_start: 0.8848 (ppp) cc_final: 0.8553 (ppp) REVERT: A 2208 MET cc_start: 0.9339 (OUTLIER) cc_final: 0.9023 (ttt) REVERT: A 2268 GLN cc_start: 0.7252 (OUTLIER) cc_final: 0.6547 (pm20) REVERT: A 2285 GLU cc_start: 0.8373 (OUTLIER) cc_final: 0.8015 (tm-30) REVERT: A 2318 TYR cc_start: 0.8130 (OUTLIER) cc_final: 0.7480 (m-10) REVERT: A 2331 TYR cc_start: 0.8288 (OUTLIER) cc_final: 0.7973 (m-80) REVERT: A 2360 LYS cc_start: 0.9276 (OUTLIER) cc_final: 0.9023 (mmtm) REVERT: A 2364 PHE cc_start: 0.8623 (OUTLIER) cc_final: 0.8204 (m-80) REVERT: A 2735 PHE cc_start: 0.5721 (OUTLIER) cc_final: 0.5045 (m-80) REVERT: A 2871 LEU cc_start: -0.2535 (OUTLIER) cc_final: -0.2839 (tt) REVERT: A 3643 ASN cc_start: 0.9294 (OUTLIER) cc_final: 0.8984 (p0) REVERT: A 3655 GLU cc_start: 0.8328 (OUTLIER) cc_final: 0.7991 (pp20) REVERT: A 3658 LYS cc_start: 0.6054 (OUTLIER) cc_final: 0.5369 (mmtt) REVERT: A 3734 HIS cc_start: 0.8328 (OUTLIER) cc_final: 0.7766 (t70) REVERT: A 3764 LEU cc_start: 0.9600 (OUTLIER) cc_final: 0.9240 (mp) REVERT: A 3767 GLN cc_start: 0.9254 (OUTLIER) cc_final: 0.8746 (mt0) REVERT: A 3789 GLU cc_start: 0.8018 (OUTLIER) cc_final: 0.7679 (tm-30) REVERT: A 3959 LYS cc_start: 0.9568 (OUTLIER) cc_final: 0.9337 (ttmt) REVERT: A 4069 LYS cc_start: 0.9418 (OUTLIER) cc_final: 0.8980 (tptt) REVERT: A 4114 CYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8742 (t) REVERT: A 4205 TRP cc_start: 0.9800 (OUTLIER) cc_final: 0.9545 (t-100) REVERT: A 4207 MET cc_start: 0.9070 (mmm) cc_final: 0.8837 (mmm) REVERT: A 4215 ARG cc_start: 0.8512 (OUTLIER) cc_final: 0.7734 (ttt180) REVERT: A 4679 ARG cc_start: 0.9291 (OUTLIER) cc_final: 0.8984 (mtt-85) REVERT: A 4743 MET cc_start: 0.8851 (mpp) cc_final: 0.8436 (mpp) REVERT: A 4806 ASN cc_start: 0.8298 (OUTLIER) cc_final: 0.7965 (p0) REVERT: A 4897 ILE cc_start: 0.8365 (OUTLIER) cc_final: 0.8161 (tp) REVERT: A 4973 HIS cc_start: 0.8440 (OUTLIER) cc_final: 0.7873 (m170) REVERT: A 4978 HIS cc_start: 0.7352 (OUTLIER) cc_final: 0.6795 (t-170) REVERT: B 15 ARG cc_start: 0.8253 (OUTLIER) cc_final: 0.7937 (ptm160) REVERT: B 69 LEU cc_start: 0.8760 (OUTLIER) cc_final: 0.8363 (mp) REVERT: B 137 LEU cc_start: 0.9339 (OUTLIER) cc_final: 0.9077 (mp) REVERT: B 157 ARG cc_start: 0.8514 (OUTLIER) cc_final: 0.8003 (mmp80) REVERT: B 202 MET cc_start: 0.8337 (tpp) cc_final: 0.8039 (tpp) REVERT: B 275 ARG cc_start: 0.8521 (OUTLIER) cc_final: 0.8170 (ptp90) REVERT: B 384 MET cc_start: 0.8582 (pmm) cc_final: 0.8363 (pmm) REVERT: B 396 GLU cc_start: 0.9227 (OUTLIER) cc_final: 0.8920 (pm20) REVERT: B 421 PHE cc_start: 0.8534 (OUTLIER) cc_final: 0.6974 (p90) REVERT: B 443 LEU cc_start: 0.9010 (OUTLIER) cc_final: 0.8729 (tt) REVERT: B 445 LEU cc_start: 0.9640 (OUTLIER) cc_final: 0.9428 (mm) REVERT: B 462 GLU cc_start: 0.8492 (OUTLIER) cc_final: 0.7938 (pm20) REVERT: B 469 ARG cc_start: 0.8954 (OUTLIER) cc_final: 0.8677 (ttm-80) REVERT: B 474 ARG cc_start: 0.9478 (OUTLIER) cc_final: 0.9235 (ttp-110) REVERT: B 478 PHE cc_start: 0.9319 (OUTLIER) cc_final: 0.9016 (t80) REVERT: B 531 ARG cc_start: 0.9341 (OUTLIER) cc_final: 0.8772 (ptp-110) REVERT: B 534 ARG cc_start: 0.8838 (OUTLIER) cc_final: 0.8050 (tpt-90) REVERT: B 603 LEU cc_start: 0.9694 (OUTLIER) cc_final: 0.9296 (tt) REVERT: B 634 GLN cc_start: 0.9204 (OUTLIER) cc_final: 0.8750 (mm-40) REVERT: B 661 LYS cc_start: 0.9192 (OUTLIER) cc_final: 0.8857 (ptpt) REVERT: B 725 HIS cc_start: 0.9337 (OUTLIER) cc_final: 0.8194 (t-90) REVERT: B 758 ARG cc_start: 0.8123 (OUTLIER) cc_final: 0.7187 (mmm-85) REVERT: B 800 PHE cc_start: 0.8956 (OUTLIER) cc_final: 0.8461 (t80) REVERT: B 813 GLU cc_start: 0.7084 (OUTLIER) cc_final: 0.6717 (tm-30) REVERT: B 818 ARG cc_start: 0.8661 (OUTLIER) cc_final: 0.8140 (ptp-170) REVERT: B 821 LEU cc_start: 0.9576 (OUTLIER) cc_final: 0.9219 (tp) REVERT: B 880 GLU cc_start: 0.7603 (OUTLIER) cc_final: 0.6428 (tm-30) REVERT: B 1038 SER cc_start: 0.8488 (OUTLIER) cc_final: 0.8240 (t) REVERT: B 1079 LYS cc_start: 0.9547 (OUTLIER) cc_final: 0.9305 (mtmt) REVERT: B 1186 ASP cc_start: 0.8781 (OUTLIER) cc_final: 0.8463 (m-30) REVERT: B 1202 LEU cc_start: 0.9768 (OUTLIER) cc_final: 0.9435 (tp) REVERT: B 1230 MET cc_start: 0.8435 (OUTLIER) cc_final: 0.7957 (mmt) REVERT: B 1733 GLU cc_start: 0.8477 (OUTLIER) cc_final: 0.8131 (mm-30) REVERT: B 1858 ASP cc_start: 0.9048 (OUTLIER) cc_final: 0.8749 (m-30) REVERT: B 1973 GLN cc_start: 0.9387 (OUTLIER) cc_final: 0.9159 (tm-30) REVERT: B 2014 ASP cc_start: 0.5769 (OUTLIER) cc_final: 0.4791 (m-30) REVERT: B 2126 ARG cc_start: 0.9123 (OUTLIER) cc_final: 0.8691 (mtp85) REVERT: B 2140 ARG cc_start: 0.9270 (OUTLIER) cc_final: 0.7680 (mtp85) REVERT: B 2163 ARG cc_start: 0.9280 (OUTLIER) cc_final: 0.8549 (ttp80) REVERT: B 2173 GLN cc_start: 0.9177 (OUTLIER) cc_final: 0.8844 (tp40) REVERT: B 2186 MET cc_start: 0.8821 (ppp) cc_final: 0.8487 (ppp) REVERT: B 2208 MET cc_start: 0.9336 (OUTLIER) cc_final: 0.8997 (ttt) REVERT: B 2268 GLN cc_start: 0.7175 (OUTLIER) cc_final: 0.6527 (pm20) REVERT: B 2285 GLU cc_start: 0.8347 (OUTLIER) cc_final: 0.8002 (tm-30) REVERT: B 2318 TYR cc_start: 0.8161 (OUTLIER) cc_final: 0.7666 (m-10) REVERT: B 2331 TYR cc_start: 0.8250 (OUTLIER) cc_final: 0.7952 (m-80) REVERT: B 2360 LYS cc_start: 0.9267 (OUTLIER) cc_final: 0.9002 (mmtm) REVERT: B 2364 PHE cc_start: 0.8623 (OUTLIER) cc_final: 0.8257 (m-80) REVERT: B 2735 PHE cc_start: 0.5802 (OUTLIER) cc_final: 0.5139 (m-80) REVERT: B 2871 LEU cc_start: -0.2546 (OUTLIER) cc_final: -0.2850 (tt) REVERT: B 3643 ASN cc_start: 0.9299 (OUTLIER) cc_final: 0.8973 (p0) REVERT: B 3655 GLU cc_start: 0.8291 (OUTLIER) cc_final: 0.7934 (pp20) REVERT: B 3658 LYS cc_start: 0.6084 (OUTLIER) cc_final: 0.5323 (mmtt) REVERT: B 3734 HIS cc_start: 0.8353 (OUTLIER) cc_final: 0.7725 (t70) REVERT: B 3764 LEU cc_start: 0.9602 (OUTLIER) cc_final: 0.9239 (mp) REVERT: B 3767 GLN cc_start: 0.9239 (OUTLIER) cc_final: 0.8715 (mt0) REVERT: B 3789 GLU cc_start: 0.8042 (OUTLIER) cc_final: 0.7682 (tm-30) REVERT: B 3949 ARG cc_start: 0.8582 (OUTLIER) cc_final: 0.8114 (ttm110) REVERT: B 3959 LYS cc_start: 0.9576 (OUTLIER) cc_final: 0.9316 (ttmt) REVERT: B 4032 GLU cc_start: 0.8976 (OUTLIER) cc_final: 0.8756 (tm-30) REVERT: B 4069 LYS cc_start: 0.9394 (OUTLIER) cc_final: 0.8931 (tptt) REVERT: B 4114 CYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8753 (t) REVERT: B 4205 TRP cc_start: 0.9795 (OUTLIER) cc_final: 0.9534 (t-100) REVERT: B 4215 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.8033 (ttt180) REVERT: B 4557 ARG cc_start: 0.8986 (OUTLIER) cc_final: 0.8483 (mtm110) REVERT: B 4679 ARG cc_start: 0.9279 (OUTLIER) cc_final: 0.8971 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7828 (OUTLIER) cc_final: 0.7492 (t0) REVERT: B 4743 MET cc_start: 0.8860 (mpp) cc_final: 0.8445 (mpp) REVERT: B 4806 ASN cc_start: 0.8680 (OUTLIER) cc_final: 0.8388 (p0) REVERT: B 4880 MET cc_start: 0.9490 (OUTLIER) cc_final: 0.8857 (tpp) REVERT: B 4973 HIS cc_start: 0.8310 (OUTLIER) cc_final: 0.7190 (m-70) REVERT: B 4978 HIS cc_start: 0.7669 (OUTLIER) cc_final: 0.6735 (t-170) REVERT: B 5026 ASP cc_start: 0.9148 (OUTLIER) cc_final: 0.8725 (m-30) REVERT: C 15 ARG cc_start: 0.8395 (OUTLIER) cc_final: 0.8040 (ptm160) REVERT: C 23 GLN cc_start: 0.8371 (OUTLIER) cc_final: 0.8087 (mt0) REVERT: C 69 LEU cc_start: 0.8774 (OUTLIER) cc_final: 0.8370 (mp) REVERT: C 137 LEU cc_start: 0.9293 (OUTLIER) cc_final: 0.8997 (mp) REVERT: C 157 ARG cc_start: 0.8380 (OUTLIER) cc_final: 0.8038 (mmp80) REVERT: C 161 GLU cc_start: 0.8834 (OUTLIER) cc_final: 0.8506 (pt0) REVERT: C 202 MET cc_start: 0.8346 (tpp) cc_final: 0.8028 (tpp) REVERT: C 275 ARG cc_start: 0.8681 (OUTLIER) cc_final: 0.8330 (ptp90) REVERT: C 359 TYR cc_start: 0.9269 (OUTLIER) cc_final: 0.8880 (p90) REVERT: C 396 GLU cc_start: 0.9229 (OUTLIER) cc_final: 0.8947 (pm20) REVERT: C 421 PHE cc_start: 0.8532 (OUTLIER) cc_final: 0.6842 (p90) REVERT: C 451 TYR cc_start: 0.9688 (OUTLIER) cc_final: 0.9447 (t80) REVERT: C 462 GLU cc_start: 0.8519 (OUTLIER) cc_final: 0.7991 (pm20) REVERT: C 469 ARG cc_start: 0.9018 (OUTLIER) cc_final: 0.8739 (ttm-80) REVERT: C 531 ARG cc_start: 0.9334 (OUTLIER) cc_final: 0.8785 (ptp-110) REVERT: C 534 ARG cc_start: 0.8786 (OUTLIER) cc_final: 0.7820 (tpt-90) REVERT: C 603 LEU cc_start: 0.9700 (OUTLIER) cc_final: 0.9267 (tt) REVERT: C 661 LYS cc_start: 0.9192 (OUTLIER) cc_final: 0.8855 (ptpt) REVERT: C 674 PHE cc_start: 0.9472 (OUTLIER) cc_final: 0.9271 (t80) REVERT: C 758 ARG cc_start: 0.7966 (OUTLIER) cc_final: 0.7126 (mmm-85) REVERT: C 800 PHE cc_start: 0.8955 (OUTLIER) cc_final: 0.8427 (t80) REVERT: C 813 GLU cc_start: 0.7041 (OUTLIER) cc_final: 0.6699 (tm-30) REVERT: C 818 ARG cc_start: 0.8625 (OUTLIER) cc_final: 0.8197 (ptp-170) REVERT: C 835 ARG cc_start: 0.7844 (OUTLIER) cc_final: 0.7416 (ptm160) REVERT: C 880 GLU cc_start: 0.7559 (OUTLIER) cc_final: 0.6362 (tm-30) REVERT: C 884 LEU cc_start: 0.7440 (OUTLIER) cc_final: 0.7143 (tt) REVERT: C 952 LYS cc_start: 0.1982 (OUTLIER) cc_final: 0.1671 (tttt) REVERT: C 969 PRO cc_start: 0.3718 (OUTLIER) cc_final: 0.2778 (Cg_endo) REVERT: C 1038 SER cc_start: 0.8445 (OUTLIER) cc_final: 0.8205 (t) REVERT: C 1079 LYS cc_start: 0.9552 (OUTLIER) cc_final: 0.9313 (mtmt) REVERT: C 1180 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.8050 (mpp80) REVERT: C 1186 ASP cc_start: 0.8796 (OUTLIER) cc_final: 0.8488 (m-30) REVERT: C 1202 LEU cc_start: 0.9773 (OUTLIER) cc_final: 0.9382 (tp) REVERT: C 1221 GLU cc_start: 0.9216 (OUTLIER) cc_final: 0.9001 (tp30) REVERT: C 1230 MET cc_start: 0.8512 (OUTLIER) cc_final: 0.8013 (mmt) REVERT: C 1601 MET cc_start: 0.8916 (OUTLIER) cc_final: 0.8446 (mmt) REVERT: C 1644 GLU cc_start: 0.8624 (OUTLIER) cc_final: 0.8308 (tm-30) REVERT: C 1661 ARG cc_start: 0.9015 (OUTLIER) cc_final: 0.8802 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9328 (OUTLIER) cc_final: 0.8941 (tm130) REVERT: C 1720 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.8997 (pp) REVERT: C 1733 GLU cc_start: 0.8479 (OUTLIER) cc_final: 0.8045 (mm-30) REVERT: C 1858 ASP cc_start: 0.9051 (OUTLIER) cc_final: 0.8753 (m-30) REVERT: C 1973 GLN cc_start: 0.9373 (OUTLIER) cc_final: 0.9145 (tm-30) REVERT: C 2126 ARG cc_start: 0.9123 (OUTLIER) cc_final: 0.8690 (mtp85) REVERT: C 2140 ARG cc_start: 0.9269 (OUTLIER) cc_final: 0.7718 (mtp85) REVERT: C 2163 ARG cc_start: 0.9268 (OUTLIER) cc_final: 0.8541 (ttp80) REVERT: C 2173 GLN cc_start: 0.9168 (OUTLIER) cc_final: 0.8812 (tp40) REVERT: C 2186 MET cc_start: 0.8863 (ppp) cc_final: 0.8552 (ppp) REVERT: C 2208 MET cc_start: 0.9336 (OUTLIER) cc_final: 0.8984 (ttt) REVERT: C 2268 GLN cc_start: 0.7167 (OUTLIER) cc_final: 0.6536 (pm20) REVERT: C 2285 GLU cc_start: 0.8357 (OUTLIER) cc_final: 0.8111 (tm-30) REVERT: C 2360 LYS cc_start: 0.9229 (OUTLIER) cc_final: 0.8978 (mmtm) REVERT: C 2364 PHE cc_start: 0.8599 (OUTLIER) cc_final: 0.8238 (m-80) REVERT: C 2735 PHE cc_start: 0.6066 (OUTLIER) cc_final: 0.5550 (m-80) REVERT: C 2871 LEU cc_start: -0.2345 (OUTLIER) cc_final: -0.2665 (tt) REVERT: C 3643 ASN cc_start: 0.9313 (OUTLIER) cc_final: 0.8981 (p0) REVERT: C 3655 GLU cc_start: 0.8326 (OUTLIER) cc_final: 0.7957 (pp20) REVERT: C 3658 LYS cc_start: 0.6024 (OUTLIER) cc_final: 0.5362 (mmtt) REVERT: C 3734 HIS cc_start: 0.8339 (OUTLIER) cc_final: 0.7738 (t70) REVERT: C 3764 LEU cc_start: 0.9606 (OUTLIER) cc_final: 0.9246 (mp) REVERT: C 3767 GLN cc_start: 0.9244 (OUTLIER) cc_final: 0.8745 (mt0) REVERT: C 3789 GLU cc_start: 0.8054 (OUTLIER) cc_final: 0.7683 (tm-30) REVERT: C 3959 LYS cc_start: 0.9573 (OUTLIER) cc_final: 0.9326 (ttmt) REVERT: C 4069 LYS cc_start: 0.9399 (OUTLIER) cc_final: 0.8936 (tptt) REVERT: C 4114 CYS cc_start: 0.9122 (OUTLIER) cc_final: 0.8756 (t) REVERT: C 4205 TRP cc_start: 0.9796 (OUTLIER) cc_final: 0.9500 (t-100) REVERT: C 4207 MET cc_start: 0.9077 (mmm) cc_final: 0.8769 (mmm) REVERT: C 4557 ARG cc_start: 0.8976 (OUTLIER) cc_final: 0.8485 (mtm110) REVERT: C 4679 ARG cc_start: 0.9295 (OUTLIER) cc_final: 0.9045 (mtt-85) REVERT: C 4743 MET cc_start: 0.8861 (mpp) cc_final: 0.8446 (mpp) REVERT: C 4806 ASN cc_start: 0.8207 (OUTLIER) cc_final: 0.7885 (p0) REVERT: C 4833 ASN cc_start: 0.9135 (OUTLIER) cc_final: 0.8583 (m-40) REVERT: C 4859 PHE cc_start: 0.8728 (OUTLIER) cc_final: 0.8505 (m-80) REVERT: C 4879 MET cc_start: 0.9109 (pmm) cc_final: 0.8904 (pmm) REVERT: C 4897 ILE cc_start: 0.8415 (OUTLIER) cc_final: 0.8186 (tp) REVERT: C 4973 HIS cc_start: 0.8408 (OUTLIER) cc_final: 0.7865 (m170) REVERT: C 4978 HIS cc_start: 0.7607 (OUTLIER) cc_final: 0.6934 (t-170) REVERT: D 15 ARG cc_start: 0.8358 (OUTLIER) cc_final: 0.8046 (ptm160) REVERT: D 23 GLN cc_start: 0.8312 (OUTLIER) cc_final: 0.8056 (mt0) REVERT: D 69 LEU cc_start: 0.8783 (OUTLIER) cc_final: 0.8364 (mp) REVERT: D 137 LEU cc_start: 0.9323 (OUTLIER) cc_final: 0.9040 (mp) REVERT: D 157 ARG cc_start: 0.8499 (OUTLIER) cc_final: 0.7991 (mmp80) REVERT: D 202 MET cc_start: 0.8277 (tpp) cc_final: 0.7949 (tpp) REVERT: D 275 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.8187 (ptp90) REVERT: D 396 GLU cc_start: 0.9226 (OUTLIER) cc_final: 0.8948 (pm20) REVERT: D 421 PHE cc_start: 0.8569 (OUTLIER) cc_final: 0.6901 (p90) REVERT: D 443 LEU cc_start: 0.8988 (OUTLIER) cc_final: 0.8696 (tt) REVERT: D 462 GLU cc_start: 0.8493 (OUTLIER) cc_final: 0.7989 (pm20) REVERT: D 478 PHE cc_start: 0.9321 (OUTLIER) cc_final: 0.8886 (t80) REVERT: D 534 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8111 (tpt-90) REVERT: D 552 ASP cc_start: 0.8530 (OUTLIER) cc_final: 0.7991 (m-30) REVERT: D 603 LEU cc_start: 0.9714 (OUTLIER) cc_final: 0.9351 (tt) REVERT: D 634 GLN cc_start: 0.9203 (OUTLIER) cc_final: 0.8713 (mm-40) REVERT: D 758 ARG cc_start: 0.8003 (OUTLIER) cc_final: 0.7553 (mmm160) REVERT: D 800 PHE cc_start: 0.8995 (OUTLIER) cc_final: 0.8407 (t80) REVERT: D 813 GLU cc_start: 0.6977 (OUTLIER) cc_final: 0.5997 (tp30) REVERT: D 818 ARG cc_start: 0.8681 (OUTLIER) cc_final: 0.8058 (ptp-170) REVERT: D 821 LEU cc_start: 0.9478 (OUTLIER) cc_final: 0.9072 (tp) REVERT: D 880 GLU cc_start: 0.7375 (OUTLIER) cc_final: 0.6439 (tm-30) REVERT: D 1038 SER cc_start: 0.8671 (OUTLIER) cc_final: 0.8453 (t) REVERT: D 1079 LYS cc_start: 0.9530 (OUTLIER) cc_final: 0.9295 (mtmt) REVERT: D 1180 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.7942 (mpp80) REVERT: D 1186 ASP cc_start: 0.8774 (OUTLIER) cc_final: 0.8497 (m-30) REVERT: D 1202 LEU cc_start: 0.9790 (OUTLIER) cc_final: 0.9400 (tp) REVERT: D 1230 MET cc_start: 0.8437 (OUTLIER) cc_final: 0.7944 (mmt) REVERT: D 1274 HIS cc_start: 0.9340 (OUTLIER) cc_final: 0.8935 (t-170) REVERT: D 1644 GLU cc_start: 0.8647 (OUTLIER) cc_final: 0.8378 (tm-30) REVERT: D 1691 GLN cc_start: 0.9339 (OUTLIER) cc_final: 0.8936 (tm130) REVERT: D 1720 LEU cc_start: 0.9317 (OUTLIER) cc_final: 0.9030 (pp) REVERT: D 1733 GLU cc_start: 0.8488 (OUTLIER) cc_final: 0.8086 (mm-30) REVERT: D 1973 GLN cc_start: 0.9371 (OUTLIER) cc_final: 0.9153 (tm-30) REVERT: D 2104 ARG cc_start: 0.9019 (OUTLIER) cc_final: 0.8739 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9135 (OUTLIER) cc_final: 0.8714 (mtp85) REVERT: D 2140 ARG cc_start: 0.9284 (OUTLIER) cc_final: 0.7792 (mtp85) REVERT: D 2163 ARG cc_start: 0.9231 (OUTLIER) cc_final: 0.8540 (ttp80) REVERT: D 2173 GLN cc_start: 0.9171 (OUTLIER) cc_final: 0.8858 (tp40) REVERT: D 2186 MET cc_start: 0.8850 (ppp) cc_final: 0.8549 (ppp) REVERT: D 2208 MET cc_start: 0.9352 (OUTLIER) cc_final: 0.9034 (ttt) REVERT: D 2268 GLN cc_start: 0.7243 (OUTLIER) cc_final: 0.6532 (pm20) REVERT: D 2285 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8053 (tm-30) REVERT: D 2318 TYR cc_start: 0.8120 (OUTLIER) cc_final: 0.7745 (m-10) REVERT: D 2331 TYR cc_start: 0.8345 (OUTLIER) cc_final: 0.8030 (m-80) REVERT: D 2360 LYS cc_start: 0.9260 (OUTLIER) cc_final: 0.9033 (mmtm) REVERT: D 2364 PHE cc_start: 0.8704 (OUTLIER) cc_final: 0.8253 (m-80) REVERT: D 2735 PHE cc_start: 0.5763 (OUTLIER) cc_final: 0.5173 (m-80) REVERT: D 2792 ARG cc_start: -0.0808 (OUTLIER) cc_final: -0.1662 (mtt180) REVERT: D 2871 LEU cc_start: -0.2310 (OUTLIER) cc_final: -0.2595 (tt) REVERT: D 3643 ASN cc_start: 0.9271 (OUTLIER) cc_final: 0.8977 (p0) REVERT: D 3655 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.8003 (pp20) REVERT: D 3658 LYS cc_start: 0.6072 (OUTLIER) cc_final: 0.5412 (mmtt) REVERT: D 3734 HIS cc_start: 0.8370 (OUTLIER) cc_final: 0.7814 (t70) REVERT: D 3764 LEU cc_start: 0.9612 (OUTLIER) cc_final: 0.9245 (mp) REVERT: D 3767 GLN cc_start: 0.9251 (OUTLIER) cc_final: 0.8753 (mt0) REVERT: D 3789 GLU cc_start: 0.8071 (OUTLIER) cc_final: 0.7706 (tm-30) REVERT: D 3959 LYS cc_start: 0.9571 (OUTLIER) cc_final: 0.9317 (ttmt) REVERT: D 4069 LYS cc_start: 0.9417 (OUTLIER) cc_final: 0.8974 (tptt) REVERT: D 4114 CYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8653 (t) REVERT: D 4205 TRP cc_start: 0.9808 (OUTLIER) cc_final: 0.9533 (t-100) REVERT: D 4215 ARG cc_start: 0.8568 (OUTLIER) cc_final: 0.7589 (ttt180) REVERT: D 4679 ARG cc_start: 0.9285 (OUTLIER) cc_final: 0.8976 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7850 (OUTLIER) cc_final: 0.7557 (t0) REVERT: D 4743 MET cc_start: 0.8817 (mpp) cc_final: 0.8443 (mpp) REVERT: D 4806 ASN cc_start: 0.8530 (OUTLIER) cc_final: 0.8147 (p0) REVERT: D 4877 ASP cc_start: 0.7985 (OUTLIER) cc_final: 0.7590 (m-30) REVERT: D 4879 MET cc_start: 0.9106 (pmm) cc_final: 0.8838 (pmm) REVERT: D 4973 HIS cc_start: 0.8355 (OUTLIER) cc_final: 0.7796 (m170) REVERT: D 4978 HIS cc_start: 0.7826 (OUTLIER) cc_final: 0.7057 (t-170) REVERT: D 5026 ASP cc_start: 0.9148 (OUTLIER) cc_final: 0.8786 (m-30) outliers start: 2812 outliers final: 2353 residues processed: 3203 average time/residue: 0.8982 time to fit residues: 5162.8183 Evaluate side-chains 3172 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2627 poor density : 545 time to evaluate : 8.704 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU 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 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS 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 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 207 SER Chi-restraints excluded: chain A residue 210 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 351 VAL Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 379 HIS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 474 ARG Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 489 ASN Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 531 ARG Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 596 ASN Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 603 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 858 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 873 LYS Chi-restraints excluded: chain A residue 874 LEU Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 920 TYR Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1223 PHE Chi-restraints excluded: chain A residue 1224 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2173 GLN Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2236 LEU Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2250 MET Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2360 LYS Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2425 PHE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2753 SER Chi-restraints excluded: chain A residue 2755 ILE Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3650 CYS Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3735 LEU Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3955 MET Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 3983 SER Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4080 TYR Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4557 ARG Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4772 ASP Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4779 LYS Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 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 4825 THR Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4841 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE Chi-restraints excluded: chain A residue 4868 ASP Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4872 PRO Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4889 VAL Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS 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 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 207 SER Chi-restraints excluded: chain B residue 210 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 474 ARG Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 489 ASN Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 531 ARG Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 639 ASN 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 661 LYS Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 818 ARG Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 873 LYS Chi-restraints excluded: chain B residue 874 LEU Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 969 PRO Chi-restraints excluded: chain B residue 970 LEU Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1053 ILE Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1223 PHE Chi-restraints excluded: chain B residue 1224 GLU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2173 GLN Chi-restraints excluded: chain B residue 2176 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2236 LEU Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2425 PHE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2750 LYS Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2758 PHE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2769 ASP Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2788 HIS Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER 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 2871 LEU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2886 TRP Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3650 CYS Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3999 MET Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4557 ARG Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 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 4576 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4657 CYS Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4714 ASN Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 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 4825 THR Chi-restraints excluded: chain B residue 4832 HIS Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4938 ASP Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 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 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 207 SER Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 371 VAL Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 418 LEU Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 496 VAL Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 502 HIS Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 531 ARG Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 624 ASN Chi-restraints excluded: chain C residue 639 ASN 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 661 LYS Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 813 GLU Chi-restraints excluded: chain C residue 818 ARG Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 858 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 873 LYS Chi-restraints excluded: chain C residue 874 LEU Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 920 TYR Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 952 LYS Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1053 ILE Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1186 ASP Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1217 CYS Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1223 PHE Chi-restraints excluded: chain C residue 1224 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2173 GLN Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 CYS Chi-restraints excluded: chain C residue 2236 LEU 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 2249 SER Chi-restraints excluded: chain C residue 2255 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2425 PHE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2753 SER Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2758 PHE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2763 HIS Chi-restraints excluded: chain C residue 2769 ASP Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2788 HIS Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2871 LEU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3735 LEU Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3817 LEU Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4557 ARG Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4657 CYS Chi-restraints excluded: chain C residue 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 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 4825 THR Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4833 ASN Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4841 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 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4872 PRO Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 61 ASP Chi-restraints excluded: chain D residue 62 LEU Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS 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 129 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 496 VAL Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 603 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 661 LYS Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 873 LYS Chi-restraints excluded: chain D residue 874 LEU Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 901 LYS Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 920 TYR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 953 THR Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1130 GLN Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1223 PHE Chi-restraints excluded: chain D residue 1224 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET 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 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2176 ASN 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 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2360 LYS Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2386 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2425 PHE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2435 ARG Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER 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 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3650 CYS Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3735 LEU Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4015 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4557 ARG Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4779 LYS Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 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 4825 THR Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4863 TYR Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4872 PRO Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5011 TRP Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2173 GLN ** A2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4832 HIS ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4973 HIS ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 44 ASN ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2763 HIS ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4832 HIS C4973 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2173 GLN ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4832 HIS D4973 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8578 moved from start: 1.0254 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.359 119312 Z= 3.295 Angle : 3.112 36.179 162720 Z= 1.551 Chirality : 0.140 0.660 19040 Planarity : 0.019 0.240 21416 Dihedral : 14.649 168.247 17649 Min Nonbonded Distance : 1.299 Molprobity Statistics. All-atom Clashscore : 99.67 Ramachandran Plot: Outliers : 2.63 % Allowed : 37.44 % Favored : 59.93 % Rotamer: Outliers : 27.08 % Allowed : 28.44 % Favored : 44.48 % Cbeta Deviations : 0.34 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.74 % Twisted General : 4.37 % 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: -7.40 (0.04), residues: 12808 helix: -4.63 (0.03), residues: 5992 sheet: -4.26 (0.12), residues: 1108 loop : -5.39 (0.05), residues: 5708 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.131 0.010 TRP B2807 HIS 0.052 0.006 HIS C 502 PHE 0.111 0.010 PHE A4195 TYR 0.075 0.009 TYR B4580 ARG 0.052 0.003 ARG D 758 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3270 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2722 poor density : 548 time to evaluate : 9.108 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 15 ARG cc_start: 0.8379 (OUTLIER) cc_final: 0.8035 (ptm160) REVERT: A 23 GLN cc_start: 0.8373 (OUTLIER) cc_final: 0.8105 (mt0) REVERT: A 69 LEU cc_start: 0.8789 (OUTLIER) cc_final: 0.8397 (mp) REVERT: A 137 LEU cc_start: 0.9342 (OUTLIER) cc_final: 0.9072 (mp) REVERT: A 157 ARG cc_start: 0.8529 (OUTLIER) cc_final: 0.8025 (mmp80) REVERT: A 202 MET cc_start: 0.8329 (tpp) cc_final: 0.8015 (tpp) REVERT: A 275 ARG cc_start: 0.8663 (OUTLIER) cc_final: 0.8233 (ptp90) REVERT: A 384 MET cc_start: 0.8507 (pmm) cc_final: 0.8252 (pmm) REVERT: A 396 GLU cc_start: 0.9224 (OUTLIER) cc_final: 0.8938 (pm20) REVERT: A 421 PHE cc_start: 0.8499 (OUTLIER) cc_final: 0.6928 (p90) REVERT: A 443 LEU cc_start: 0.9013 (OUTLIER) cc_final: 0.8743 (tt) REVERT: A 462 GLU cc_start: 0.8488 (OUTLIER) cc_final: 0.7956 (pm20) REVERT: A 469 ARG cc_start: 0.8999 (OUTLIER) cc_final: 0.8735 (ttm-80) REVERT: A 531 ARG cc_start: 0.9334 (OUTLIER) cc_final: 0.8760 (ptp-110) REVERT: A 534 ARG cc_start: 0.8765 (OUTLIER) cc_final: 0.7825 (tpt-90) REVERT: A 552 ASP cc_start: 0.8506 (OUTLIER) cc_final: 0.8182 (m-30) REVERT: A 603 LEU cc_start: 0.9694 (OUTLIER) cc_final: 0.9306 (tt) REVERT: A 634 GLN cc_start: 0.9228 (OUTLIER) cc_final: 0.8740 (mm-40) REVERT: A 709 ASP cc_start: 0.8991 (OUTLIER) cc_final: 0.8711 (m-30) REVERT: A 758 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.7329 (mmm-85) REVERT: A 800 PHE cc_start: 0.8958 (OUTLIER) cc_final: 0.8460 (t80) REVERT: A 813 GLU cc_start: 0.7046 (OUTLIER) cc_final: 0.6675 (tm-30) REVERT: A 818 ARG cc_start: 0.8769 (OUTLIER) cc_final: 0.8240 (ptp-170) REVERT: A 829 TYR cc_start: 0.9410 (OUTLIER) cc_final: 0.9184 (p90) REVERT: A 880 GLU cc_start: 0.7301 (OUTLIER) cc_final: 0.6337 (tm-30) REVERT: A 1038 SER cc_start: 0.8511 (OUTLIER) cc_final: 0.8261 (t) REVERT: A 1079 LYS cc_start: 0.9537 (OUTLIER) cc_final: 0.9298 (mtmt) REVERT: A 1180 ARG cc_start: 0.8679 (OUTLIER) cc_final: 0.8099 (mpp80) REVERT: A 1186 ASP cc_start: 0.8791 (OUTLIER) cc_final: 0.8492 (m-30) REVERT: A 1202 LEU cc_start: 0.9779 (OUTLIER) cc_final: 0.9370 (tp) REVERT: A 1221 GLU cc_start: 0.9157 (OUTLIER) cc_final: 0.8931 (tp30) REVERT: A 1274 HIS cc_start: 0.9357 (OUTLIER) cc_final: 0.9028 (t-170) REVERT: A 1720 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.9001 (pp) REVERT: A 1733 GLU cc_start: 0.8475 (OUTLIER) cc_final: 0.8060 (mm-30) REVERT: A 1858 ASP cc_start: 0.9050 (OUTLIER) cc_final: 0.8752 (m-30) REVERT: A 1973 GLN cc_start: 0.9381 (OUTLIER) cc_final: 0.9166 (tm-30) REVERT: A 2126 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8700 (mtp85) REVERT: A 2140 ARG cc_start: 0.9279 (OUTLIER) cc_final: 0.7750 (mtp85) REVERT: A 2163 ARG cc_start: 0.9264 (OUTLIER) cc_final: 0.8543 (ttp80) REVERT: A 2186 MET cc_start: 0.8841 (ppp) cc_final: 0.8541 (ppp) REVERT: A 2208 MET cc_start: 0.9338 (OUTLIER) cc_final: 0.9012 (ttt) REVERT: A 2268 GLN cc_start: 0.7253 (OUTLIER) cc_final: 0.6537 (pm20) REVERT: A 2285 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8032 (tm-30) REVERT: A 2318 TYR cc_start: 0.8167 (OUTLIER) cc_final: 0.7671 (m-10) REVERT: A 2331 TYR cc_start: 0.8285 (OUTLIER) cc_final: 0.7977 (m-80) REVERT: A 2360 LYS cc_start: 0.9279 (OUTLIER) cc_final: 0.9026 (mmtm) REVERT: A 2364 PHE cc_start: 0.8646 (OUTLIER) cc_final: 0.8240 (m-80) REVERT: A 2735 PHE cc_start: 0.5671 (OUTLIER) cc_final: 0.5187 (m-80) REVERT: A 2786 LYS cc_start: -0.0311 (OUTLIER) cc_final: -0.0618 (mppt) REVERT: A 2871 LEU cc_start: -0.2398 (OUTLIER) cc_final: -0.2686 (tt) REVERT: A 3643 ASN cc_start: 0.9299 (OUTLIER) cc_final: 0.8969 (p0) REVERT: A 3655 GLU cc_start: 0.8294 (OUTLIER) cc_final: 0.7952 (pp20) REVERT: A 3658 LYS cc_start: 0.6068 (OUTLIER) cc_final: 0.5405 (mmtt) REVERT: A 3734 HIS cc_start: 0.8299 (OUTLIER) cc_final: 0.7743 (t70) REVERT: A 3764 LEU cc_start: 0.9596 (OUTLIER) cc_final: 0.9237 (mp) REVERT: A 3767 GLN cc_start: 0.9267 (OUTLIER) cc_final: 0.8760 (mt0) REVERT: A 3789 GLU cc_start: 0.8023 (OUTLIER) cc_final: 0.7683 (tm-30) REVERT: A 3959 LYS cc_start: 0.9570 (OUTLIER) cc_final: 0.9337 (ttmt) REVERT: A 4069 LYS cc_start: 0.9415 (OUTLIER) cc_final: 0.8978 (tptt) REVERT: A 4114 CYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8725 (t) REVERT: A 4205 TRP cc_start: 0.9803 (OUTLIER) cc_final: 0.9510 (t-100) REVERT: A 4207 MET cc_start: 0.9054 (mmm) cc_final: 0.8811 (mmm) REVERT: A 4215 ARG cc_start: 0.8511 (OUTLIER) cc_final: 0.7783 (ttt180) REVERT: A 4634 GLU cc_start: 0.3119 (OUTLIER) cc_final: 0.2731 (tt0) REVERT: A 4679 ARG cc_start: 0.9291 (OUTLIER) cc_final: 0.8983 (mtt-85) REVERT: A 4743 MET cc_start: 0.8815 (mpp) cc_final: 0.8438 (mpp) REVERT: A 4806 ASN cc_start: 0.8310 (OUTLIER) cc_final: 0.8000 (p0) REVERT: A 4897 ILE cc_start: 0.8363 (OUTLIER) cc_final: 0.8145 (tp) REVERT: A 4978 HIS cc_start: 0.7347 (OUTLIER) cc_final: 0.6782 (t-170) REVERT: B 15 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.7978 (ptm160) REVERT: B 69 LEU cc_start: 0.8762 (OUTLIER) cc_final: 0.8371 (mp) REVERT: B 137 LEU cc_start: 0.9346 (OUTLIER) cc_final: 0.9083 (mp) REVERT: B 157 ARG cc_start: 0.8504 (OUTLIER) cc_final: 0.8004 (mmp80) REVERT: B 202 MET cc_start: 0.8329 (tpp) cc_final: 0.8102 (tpp) REVERT: B 275 ARG cc_start: 0.8536 (OUTLIER) cc_final: 0.8201 (ptp90) REVERT: B 396 GLU cc_start: 0.9212 (OUTLIER) cc_final: 0.8922 (pm20) REVERT: B 421 PHE cc_start: 0.8501 (OUTLIER) cc_final: 0.6862 (p90) REVERT: B 443 LEU cc_start: 0.9016 (OUTLIER) cc_final: 0.8749 (tt) REVERT: B 445 LEU cc_start: 0.9640 (OUTLIER) cc_final: 0.9426 (mm) REVERT: B 462 GLU cc_start: 0.8496 (OUTLIER) cc_final: 0.7948 (pm20) REVERT: B 469 ARG cc_start: 0.8987 (OUTLIER) cc_final: 0.8725 (ttm-80) REVERT: B 478 PHE cc_start: 0.9375 (OUTLIER) cc_final: 0.8912 (t80) REVERT: B 534 ARG cc_start: 0.8816 (OUTLIER) cc_final: 0.8015 (tpt-90) REVERT: B 603 LEU cc_start: 0.9692 (OUTLIER) cc_final: 0.9303 (tt) REVERT: B 725 HIS cc_start: 0.9349 (OUTLIER) cc_final: 0.8205 (t-90) REVERT: B 758 ARG cc_start: 0.8053 (OUTLIER) cc_final: 0.7582 (mmm160) REVERT: B 800 PHE cc_start: 0.8954 (OUTLIER) cc_final: 0.8458 (t80) REVERT: B 813 GLU cc_start: 0.7014 (OUTLIER) cc_final: 0.6656 (tm-30) REVERT: B 818 ARG cc_start: 0.8658 (OUTLIER) cc_final: 0.8140 (ptp-170) REVERT: B 821 LEU cc_start: 0.9565 (OUTLIER) cc_final: 0.9206 (tp) REVERT: B 880 GLU cc_start: 0.7487 (OUTLIER) cc_final: 0.6501 (tm-30) REVERT: B 1038 SER cc_start: 0.8589 (OUTLIER) cc_final: 0.8357 (t) REVERT: B 1079 LYS cc_start: 0.9547 (OUTLIER) cc_final: 0.9304 (mtmt) REVERT: B 1186 ASP cc_start: 0.8801 (OUTLIER) cc_final: 0.8484 (m-30) REVERT: B 1202 LEU cc_start: 0.9772 (OUTLIER) cc_final: 0.9435 (tp) REVERT: B 1230 MET cc_start: 0.8437 (OUTLIER) cc_final: 0.7989 (mmt) REVERT: B 1733 GLU cc_start: 0.8479 (OUTLIER) cc_final: 0.8140 (mm-30) REVERT: B 1858 ASP cc_start: 0.9055 (OUTLIER) cc_final: 0.8757 (m-30) REVERT: B 1973 GLN cc_start: 0.9381 (OUTLIER) cc_final: 0.9180 (tm-30) REVERT: B 2014 ASP cc_start: 0.5810 (OUTLIER) cc_final: 0.4782 (m-30) REVERT: B 2126 ARG cc_start: 0.9123 (OUTLIER) cc_final: 0.8687 (mtp85) REVERT: B 2140 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.7711 (mtp85) REVERT: B 2163 ARG cc_start: 0.9279 (OUTLIER) cc_final: 0.8547 (ttp80) REVERT: B 2173 GLN cc_start: 0.9131 (OUTLIER) cc_final: 0.8925 (tp40) REVERT: B 2186 MET cc_start: 0.8833 (ppp) cc_final: 0.8514 (ppp) REVERT: B 2208 MET cc_start: 0.9342 (OUTLIER) cc_final: 0.9007 (ttt) REVERT: B 2268 GLN cc_start: 0.7238 (OUTLIER) cc_final: 0.6528 (pm20) REVERT: B 2285 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.8000 (tm-30) REVERT: B 2318 TYR cc_start: 0.8173 (OUTLIER) cc_final: 0.7697 (m-10) REVERT: B 2331 TYR cc_start: 0.8249 (OUTLIER) cc_final: 0.7947 (m-80) REVERT: B 2360 LYS cc_start: 0.9270 (OUTLIER) cc_final: 0.9005 (mmtm) REVERT: B 2364 PHE cc_start: 0.8636 (OUTLIER) cc_final: 0.8220 (m-80) REVERT: B 2735 PHE cc_start: 0.5623 (OUTLIER) cc_final: 0.5119 (m-80) REVERT: B 2871 LEU cc_start: -0.2563 (OUTLIER) cc_final: -0.2856 (tt) REVERT: B 3643 ASN cc_start: 0.9312 (OUTLIER) cc_final: 0.8993 (p0) REVERT: B 3655 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.7956 (pp20) REVERT: B 3658 LYS cc_start: 0.6084 (OUTLIER) cc_final: 0.5363 (mmtt) REVERT: B 3734 HIS cc_start: 0.8406 (OUTLIER) cc_final: 0.7838 (t70) REVERT: B 3764 LEU cc_start: 0.9600 (OUTLIER) cc_final: 0.9237 (mp) REVERT: B 3767 GLN cc_start: 0.9264 (OUTLIER) cc_final: 0.8755 (mt0) REVERT: B 3789 GLU cc_start: 0.8024 (OUTLIER) cc_final: 0.7660 (tm-30) REVERT: B 3959 LYS cc_start: 0.9575 (OUTLIER) cc_final: 0.9314 (ttmt) REVERT: B 4032 GLU cc_start: 0.8974 (OUTLIER) cc_final: 0.8751 (tm-30) REVERT: B 4069 LYS cc_start: 0.9396 (OUTLIER) cc_final: 0.8935 (tptt) REVERT: B 4114 CYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8755 (t) REVERT: B 4205 TRP cc_start: 0.9800 (OUTLIER) cc_final: 0.9538 (t-100) REVERT: B 4215 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.8026 (ttt180) REVERT: B 4557 ARG cc_start: 0.8987 (OUTLIER) cc_final: 0.8482 (mtm110) REVERT: B 4679 ARG cc_start: 0.9280 (OUTLIER) cc_final: 0.8973 (mtt-85) REVERT: B 4695 ASP cc_start: 0.7780 (OUTLIER) cc_final: 0.7450 (t0) REVERT: B 4743 MET cc_start: 0.8855 (mpp) cc_final: 0.8444 (mpp) REVERT: B 4806 ASN cc_start: 0.8682 (OUTLIER) cc_final: 0.8394 (p0) REVERT: B 4849 TYR cc_start: 0.8986 (OUTLIER) cc_final: 0.7783 (t80) REVERT: B 4879 MET cc_start: 0.9121 (pmm) cc_final: 0.8589 (pmm) REVERT: B 4880 MET cc_start: 0.9489 (OUTLIER) cc_final: 0.8832 (tpp) REVERT: B 4973 HIS cc_start: 0.8515 (OUTLIER) cc_final: 0.7635 (m90) REVERT: B 4978 HIS cc_start: 0.7496 (OUTLIER) cc_final: 0.6783 (t70) REVERT: B 5026 ASP cc_start: 0.9107 (OUTLIER) cc_final: 0.8676 (m-30) REVERT: B 5027 CYS cc_start: 0.6353 (t) cc_final: 0.5978 (t) REVERT: C 15 ARG cc_start: 0.8391 (OUTLIER) cc_final: 0.7979 (ptm160) REVERT: C 23 GLN cc_start: 0.8397 (OUTLIER) cc_final: 0.8121 (mt0) REVERT: C 69 LEU cc_start: 0.8782 (OUTLIER) cc_final: 0.8388 (mp) REVERT: C 137 LEU cc_start: 0.9339 (OUTLIER) cc_final: 0.9072 (mp) REVERT: C 157 ARG cc_start: 0.8378 (OUTLIER) cc_final: 0.8048 (mmp80) REVERT: C 161 GLU cc_start: 0.8835 (OUTLIER) cc_final: 0.8528 (pt0) REVERT: C 202 MET cc_start: 0.8346 (tpp) cc_final: 0.8035 (tpp) REVERT: C 275 ARG cc_start: 0.8647 (OUTLIER) cc_final: 0.8233 (ptp90) REVERT: C 359 TYR cc_start: 0.9266 (OUTLIER) cc_final: 0.8881 (p90) REVERT: C 396 GLU cc_start: 0.9234 (OUTLIER) cc_final: 0.8953 (pm20) REVERT: C 421 PHE cc_start: 0.8562 (OUTLIER) cc_final: 0.6973 (p90) REVERT: C 451 TYR cc_start: 0.9688 (OUTLIER) cc_final: 0.9433 (t80) REVERT: C 462 GLU cc_start: 0.8488 (OUTLIER) cc_final: 0.7954 (pm20) REVERT: C 531 ARG cc_start: 0.9320 (OUTLIER) cc_final: 0.8758 (ptp-110) REVERT: C 534 ARG cc_start: 0.8796 (OUTLIER) cc_final: 0.7830 (tpt-90) REVERT: C 603 LEU cc_start: 0.9699 (OUTLIER) cc_final: 0.9261 (tt) REVERT: C 674 PHE cc_start: 0.9475 (OUTLIER) cc_final: 0.9271 (t80) REVERT: C 725 HIS cc_start: 0.9302 (OUTLIER) cc_final: 0.8134 (t-90) REVERT: C 758 ARG cc_start: 0.7906 (OUTLIER) cc_final: 0.7094 (mmm-85) REVERT: C 797 HIS cc_start: 0.6187 (OUTLIER) cc_final: 0.5247 (m90) REVERT: C 800 PHE cc_start: 0.8963 (OUTLIER) cc_final: 0.8436 (t80) REVERT: C 813 GLU cc_start: 0.7035 (OUTLIER) cc_final: 0.6691 (tm-30) REVERT: C 818 ARG cc_start: 0.8613 (OUTLIER) cc_final: 0.8240 (ptp-170) REVERT: C 835 ARG cc_start: 0.7888 (OUTLIER) cc_final: 0.7394 (ptm160) REVERT: C 880 GLU cc_start: 0.7551 (OUTLIER) cc_final: 0.6547 (tm-30) REVERT: C 884 LEU cc_start: 0.7465 (OUTLIER) cc_final: 0.7249 (tt) REVERT: C 952 LYS cc_start: 0.1861 (OUTLIER) cc_final: 0.1510 (tttt) REVERT: C 969 PRO cc_start: 0.3711 (OUTLIER) cc_final: 0.2824 (Cg_endo) REVERT: C 1038 SER cc_start: 0.8445 (OUTLIER) cc_final: 0.8206 (t) REVERT: C 1079 LYS cc_start: 0.9551 (OUTLIER) cc_final: 0.9312 (mtmt) REVERT: C 1180 ARG cc_start: 0.8747 (OUTLIER) cc_final: 0.8029 (mpp80) REVERT: C 1186 ASP cc_start: 0.8805 (OUTLIER) cc_final: 0.8484 (m-30) REVERT: C 1202 LEU cc_start: 0.9772 (OUTLIER) cc_final: 0.9381 (tp) REVERT: C 1221 GLU cc_start: 0.9216 (OUTLIER) cc_final: 0.9004 (tp30) REVERT: C 1230 MET cc_start: 0.8498 (OUTLIER) cc_final: 0.8026 (mmt) REVERT: C 1601 MET cc_start: 0.8915 (OUTLIER) cc_final: 0.8445 (mmt) REVERT: C 1644 GLU cc_start: 0.8628 (OUTLIER) cc_final: 0.8314 (tm-30) REVERT: C 1661 ARG cc_start: 0.9028 (OUTLIER) cc_final: 0.8817 (ttm-80) REVERT: C 1691 GLN cc_start: 0.9342 (OUTLIER) cc_final: 0.8963 (tm130) REVERT: C 1720 LEU cc_start: 0.9343 (OUTLIER) cc_final: 0.9019 (pp) REVERT: C 1733 GLU cc_start: 0.8482 (OUTLIER) cc_final: 0.8062 (mm-30) REVERT: C 1858 ASP cc_start: 0.9053 (OUTLIER) cc_final: 0.8754 (m-30) REVERT: C 1973 GLN cc_start: 0.9390 (OUTLIER) cc_final: 0.9180 (tm-30) REVERT: C 2126 ARG cc_start: 0.9126 (OUTLIER) cc_final: 0.8703 (mtp85) REVERT: C 2140 ARG cc_start: 0.9276 (OUTLIER) cc_final: 0.7736 (mtp85) REVERT: C 2163 ARG cc_start: 0.9267 (OUTLIER) cc_final: 0.8556 (ttp80) REVERT: C 2186 MET cc_start: 0.8848 (ppp) cc_final: 0.8538 (ppp) REVERT: C 2208 MET cc_start: 0.9325 (OUTLIER) cc_final: 0.8981 (ttt) REVERT: C 2268 GLN cc_start: 0.6974 (OUTLIER) cc_final: 0.6358 (pm20) REVERT: C 2285 GLU cc_start: 0.8366 (OUTLIER) cc_final: 0.8119 (tm-30) REVERT: C 2360 LYS cc_start: 0.9230 (OUTLIER) cc_final: 0.8978 (mmtm) REVERT: C 2364 PHE cc_start: 0.8608 (OUTLIER) cc_final: 0.8249 (m-80) REVERT: C 2735 PHE cc_start: 0.5678 (OUTLIER) cc_final: 0.5192 (m-80) REVERT: C 2871 LEU cc_start: -0.2594 (OUTLIER) cc_final: -0.2899 (tt) REVERT: C 3643 ASN cc_start: 0.9309 (OUTLIER) cc_final: 0.8979 (p0) REVERT: C 3655 GLU cc_start: 0.8297 (OUTLIER) cc_final: 0.7962 (pp20) REVERT: C 3658 LYS cc_start: 0.6081 (OUTLIER) cc_final: 0.5419 (mmtt) REVERT: C 3734 HIS cc_start: 0.8324 (OUTLIER) cc_final: 0.7740 (t70) REVERT: C 3764 LEU cc_start: 0.9607 (OUTLIER) cc_final: 0.9240 (mp) REVERT: C 3767 GLN cc_start: 0.9252 (OUTLIER) cc_final: 0.8770 (mt0) REVERT: C 3789 GLU cc_start: 0.8045 (OUTLIER) cc_final: 0.7675 (tm-30) REVERT: C 3959 LYS cc_start: 0.9572 (OUTLIER) cc_final: 0.9321 (ttmt) REVERT: C 4069 LYS cc_start: 0.9395 (OUTLIER) cc_final: 0.8933 (tptt) REVERT: C 4114 CYS cc_start: 0.9123 (OUTLIER) cc_final: 0.8755 (t) REVERT: C 4205 TRP cc_start: 0.9797 (OUTLIER) cc_final: 0.9499 (t-100) REVERT: C 4207 MET cc_start: 0.9021 (mmm) cc_final: 0.8724 (mmm) REVERT: C 4557 ARG cc_start: 0.8971 (OUTLIER) cc_final: 0.8482 (mtm110) REVERT: C 4679 ARG cc_start: 0.9298 (OUTLIER) cc_final: 0.9008 (mtt-85) REVERT: C 4743 MET cc_start: 0.8804 (mpp) cc_final: 0.8430 (mpp) REVERT: C 4806 ASN cc_start: 0.8523 (OUTLIER) cc_final: 0.8150 (p0) REVERT: C 4859 PHE cc_start: 0.8718 (OUTLIER) cc_final: 0.8265 (m-80) REVERT: C 4879 MET cc_start: 0.9123 (pmm) cc_final: 0.8881 (pmm) REVERT: C 4897 ILE cc_start: 0.8421 (OUTLIER) cc_final: 0.8208 (tp) REVERT: C 4978 HIS cc_start: 0.7595 (OUTLIER) cc_final: 0.6918 (t-170) REVERT: D 15 ARG cc_start: 0.8362 (OUTLIER) cc_final: 0.8015 (ptm160) REVERT: D 23 GLN cc_start: 0.8317 (OUTLIER) cc_final: 0.8061 (mt0) REVERT: D 69 LEU cc_start: 0.8782 (OUTLIER) cc_final: 0.8356 (mp) REVERT: D 137 LEU cc_start: 0.9337 (OUTLIER) cc_final: 0.9054 (mp) REVERT: D 157 ARG cc_start: 0.8543 (OUTLIER) cc_final: 0.8049 (mmp80) REVERT: D 202 MET cc_start: 0.8281 (tpp) cc_final: 0.7962 (tpp) REVERT: D 275 ARG cc_start: 0.8546 (OUTLIER) cc_final: 0.8182 (ptp90) REVERT: D 396 GLU cc_start: 0.9225 (OUTLIER) cc_final: 0.8935 (pm20) REVERT: D 421 PHE cc_start: 0.8558 (OUTLIER) cc_final: 0.6926 (p90) REVERT: D 443 LEU cc_start: 0.8988 (OUTLIER) cc_final: 0.8700 (tt) REVERT: D 462 GLU cc_start: 0.8496 (OUTLIER) cc_final: 0.7995 (pm20) REVERT: D 478 PHE cc_start: 0.9373 (OUTLIER) cc_final: 0.8921 (t80) REVERT: D 534 ARG cc_start: 0.8926 (OUTLIER) cc_final: 0.8113 (tpt-90) REVERT: D 552 ASP cc_start: 0.8566 (OUTLIER) cc_final: 0.8183 (m-30) REVERT: D 603 LEU cc_start: 0.9712 (OUTLIER) cc_final: 0.9347 (tt) REVERT: D 634 GLN cc_start: 0.9208 (OUTLIER) cc_final: 0.8712 (mm-40) REVERT: D 725 HIS cc_start: 0.9334 (OUTLIER) cc_final: 0.8322 (t-90) REVERT: D 758 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.7197 (mmm-85) REVERT: D 800 PHE cc_start: 0.8999 (OUTLIER) cc_final: 0.8406 (t80) REVERT: D 813 GLU cc_start: 0.6924 (OUTLIER) cc_final: 0.5945 (tp30) REVERT: D 818 ARG cc_start: 0.8736 (OUTLIER) cc_final: 0.8099 (ptp-170) REVERT: D 821 LEU cc_start: 0.9461 (OUTLIER) cc_final: 0.9122 (tp) REVERT: D 880 GLU cc_start: 0.7450 (OUTLIER) cc_final: 0.6475 (tm-30) REVERT: D 1038 SER cc_start: 0.8668 (OUTLIER) cc_final: 0.8448 (t) REVERT: D 1079 LYS cc_start: 0.9530 (OUTLIER) cc_final: 0.9294 (mtmt) REVERT: D 1180 ARG cc_start: 0.8708 (OUTLIER) cc_final: 0.7986 (mpp80) REVERT: D 1186 ASP cc_start: 0.8805 (OUTLIER) cc_final: 0.8527 (m-30) REVERT: D 1202 LEU cc_start: 0.9789 (OUTLIER) cc_final: 0.9399 (tp) REVERT: D 1230 MET cc_start: 0.8434 (OUTLIER) cc_final: 0.7949 (mmt) REVERT: D 1274 HIS cc_start: 0.9339 (OUTLIER) cc_final: 0.8934 (t-170) REVERT: D 1644 GLU cc_start: 0.8653 (OUTLIER) cc_final: 0.8407 (tm-30) REVERT: D 1691 GLN cc_start: 0.9335 (OUTLIER) cc_final: 0.8932 (tm130) REVERT: D 1720 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.9028 (pp) REVERT: D 1733 GLU cc_start: 0.8475 (OUTLIER) cc_final: 0.8150 (mm-30) REVERT: D 1973 GLN cc_start: 0.9369 (OUTLIER) cc_final: 0.9136 (tm-30) REVERT: D 2104 ARG cc_start: 0.9018 (OUTLIER) cc_final: 0.8732 (tmm-80) REVERT: D 2126 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8704 (mtp85) REVERT: D 2140 ARG cc_start: 0.9282 (OUTLIER) cc_final: 0.7785 (mtp85) REVERT: D 2163 ARG cc_start: 0.9229 (OUTLIER) cc_final: 0.8556 (ttp80) REVERT: D 2186 MET cc_start: 0.8849 (ppp) cc_final: 0.8544 (ppp) REVERT: D 2208 MET cc_start: 0.9341 (OUTLIER) cc_final: 0.9014 (ttt) REVERT: D 2268 GLN cc_start: 0.7183 (OUTLIER) cc_final: 0.6476 (pm20) REVERT: D 2285 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8040 (tm-30) REVERT: D 2318 TYR cc_start: 0.8117 (OUTLIER) cc_final: 0.7754 (m-10) REVERT: D 2331 TYR cc_start: 0.8344 (OUTLIER) cc_final: 0.8032 (m-80) REVERT: D 2360 LYS cc_start: 0.9263 (OUTLIER) cc_final: 0.9032 (mmtm) REVERT: D 2364 PHE cc_start: 0.8737 (OUTLIER) cc_final: 0.8334 (m-80) REVERT: D 2735 PHE cc_start: 0.5645 (OUTLIER) cc_final: 0.5165 (m-80) REVERT: D 2792 ARG cc_start: -0.0364 (OUTLIER) cc_final: -0.1248 (mtt180) REVERT: D 2871 LEU cc_start: -0.2480 (OUTLIER) cc_final: -0.2764 (tt) REVERT: D 3643 ASN cc_start: 0.9269 (OUTLIER) cc_final: 0.8957 (p0) REVERT: D 3655 GLU cc_start: 0.8341 (OUTLIER) cc_final: 0.8002 (pp20) REVERT: D 3658 LYS cc_start: 0.6012 (OUTLIER) cc_final: 0.5359 (mmtt) REVERT: D 3734 HIS cc_start: 0.8359 (OUTLIER) cc_final: 0.7804 (t70) REVERT: D 3764 LEU cc_start: 0.9607 (OUTLIER) cc_final: 0.9233 (mp) REVERT: D 3767 GLN cc_start: 0.9266 (OUTLIER) cc_final: 0.8773 (mt0) REVERT: D 3789 GLU cc_start: 0.8109 (OUTLIER) cc_final: 0.7742 (tm-30) REVERT: D 3959 LYS cc_start: 0.9559 (OUTLIER) cc_final: 0.9315 (ttmt) REVERT: D 4069 LYS cc_start: 0.9415 (OUTLIER) cc_final: 0.8975 (tptt) REVERT: D 4114 CYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8653 (t) REVERT: D 4205 TRP cc_start: 0.9808 (OUTLIER) cc_final: 0.9503 (t-100) REVERT: D 4215 ARG cc_start: 0.8567 (OUTLIER) cc_final: 0.7586 (ttt180) REVERT: D 4581 LYS cc_start: 0.8406 (OUTLIER) cc_final: 0.8159 (tppt) REVERT: D 4679 ARG cc_start: 0.9286 (OUTLIER) cc_final: 0.8979 (mtt-85) REVERT: D 4695 ASP cc_start: 0.7870 (OUTLIER) cc_final: 0.7604 (t0) REVERT: D 4743 MET cc_start: 0.8819 (mpp) cc_final: 0.8445 (mpp) REVERT: D 4806 ASN cc_start: 0.8558 (OUTLIER) cc_final: 0.8191 (p0) REVERT: D 4877 ASP cc_start: 0.7943 (OUTLIER) cc_final: 0.7530 (m-30) REVERT: D 4879 MET cc_start: 0.9116 (pmm) cc_final: 0.8843 (pmm) REVERT: D 4897 ILE cc_start: 0.8475 (OUTLIER) cc_final: 0.8239 (tp) REVERT: D 4978 HIS cc_start: 0.7790 (OUTLIER) cc_final: 0.7079 (t-170) REVERT: D 5026 ASP cc_start: 0.9144 (OUTLIER) cc_final: 0.8755 (m-30) outliers start: 2722 outliers final: 2348 residues processed: 3125 average time/residue: 0.9086 time to fit residues: 5118.9204 Evaluate side-chains 3160 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2614 poor density : 546 time to evaluate : 8.716 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 23 GLN Chi-restraints excluded: chain A residue 36 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 48 PHE Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 61 ASP Chi-restraints excluded: chain A residue 62 LEU 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 81 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 116 MET Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS 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 129 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 137 LEU Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 158 SER Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 207 SER Chi-restraints excluded: chain A residue 210 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 231 LEU Chi-restraints excluded: chain A residue 233 ILE Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 254 THR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 329 ARG Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 351 VAL 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 379 HIS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 412 ASN Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 416 LYS Chi-restraints excluded: chain A residue 418 LEU Chi-restraints excluded: chain A residue 421 PHE Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 443 LEU Chi-restraints excluded: chain A residue 445 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 489 ASN Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 502 HIS Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 509 GLU Chi-restraints excluded: chain A residue 518 ILE Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 531 ARG Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 558 SER Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 567 VAL Chi-restraints excluded: chain A residue 568 LEU Chi-restraints excluded: chain A residue 585 SER Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 603 LEU Chi-restraints excluded: chain A residue 604 CYS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 619 ASP Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 639 ASN 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 661 LYS Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 689 THR Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 711 LEU Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 736 HIS Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 774 ASP Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 787 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 813 GLU Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 830 ARG Chi-restraints excluded: chain A residue 838 HIS Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 849 THR Chi-restraints excluded: chain A residue 858 THR Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 863 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 873 LYS Chi-restraints excluded: chain A residue 874 LEU Chi-restraints excluded: chain A residue 876 GLU Chi-restraints excluded: chain A residue 880 GLU Chi-restraints excluded: chain A residue 882 TRP Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 920 TYR Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 975 VAL Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1031 THR Chi-restraints excluded: chain A residue 1038 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1053 ILE Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1097 THR Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1130 GLN Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1180 ARG Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1186 ASP Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1210 SER Chi-restraints excluded: chain A residue 1211 LEU Chi-restraints excluded: chain A residue 1217 CYS Chi-restraints excluded: chain A residue 1221 GLU Chi-restraints excluded: chain A residue 1223 PHE Chi-restraints excluded: chain A residue 1224 GLU Chi-restraints excluded: chain A residue 1225 PRO Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1230 MET 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 1257 VAL Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1651 LEU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1667 LEU Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1726 SER Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1783 VAL Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain A residue 2091 PRO Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2154 SER Chi-restraints excluded: chain A residue 2163 ARG Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2168 VAL Chi-restraints excluded: chain A residue 2176 ASN Chi-restraints excluded: chain A residue 2182 ILE Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2206 THR Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2208 MET Chi-restraints excluded: chain A residue 2212 VAL Chi-restraints excluded: chain A residue 2213 ASN Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2233 CYS Chi-restraints excluded: chain A residue 2236 LEU Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2255 SER Chi-restraints excluded: chain A residue 2257 LEU Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2268 GLN Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2321 ILE Chi-restraints excluded: chain A residue 2331 TYR Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2360 LYS Chi-restraints excluded: chain A residue 2363 CYS Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2384 ILE Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2422 ILE Chi-restraints excluded: chain A residue 2425 PHE Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2447 LYS Chi-restraints excluded: chain A residue 2467 VAL Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2473 PRO Chi-restraints excluded: chain A residue 2474 LEU Chi-restraints excluded: chain A residue 2735 PHE Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2753 SER Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2786 LYS Chi-restraints excluded: chain A residue 2787 THR Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2794 TYR Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2798 SER Chi-restraints excluded: chain A residue 2803 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2871 LEU Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2886 TRP Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2920 ARG Chi-restraints excluded: chain A residue 2922 LYS Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2930 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3650 CYS Chi-restraints excluded: chain A residue 3655 GLU Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3675 ASP Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3734 HIS Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3767 GLN Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3769 ARG Chi-restraints excluded: chain A residue 3770 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3818 ASP Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3823 LYS Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3831 SER Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3841 VAL Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3856 LEU Chi-restraints excluded: chain A residue 3874 VAL Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3926 LEU Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3955 MET Chi-restraints excluded: chain A residue 3956 SER Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3972 PRO Chi-restraints excluded: chain A residue 4001 MET Chi-restraints excluded: chain A residue 4003 LEU Chi-restraints excluded: chain A residue 4017 LEU Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4032 GLU Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4048 LEU Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4056 GLU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4093 PHE Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4138 ASP Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4148 THR Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 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 4190 ILE Chi-restraints excluded: chain A residue 4191 GLU Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4201 ASN Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4209 GLN Chi-restraints excluded: chain A residue 4215 ARG Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4218 ILE Chi-restraints excluded: chain A residue 4235 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4557 ARG Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4567 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4581 LYS Chi-restraints excluded: chain A residue 4583 SER Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 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 4658 ILE Chi-restraints excluded: chain A residue 4659 ILE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4679 ARG Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4705 VAL Chi-restraints excluded: chain A residue 4706 LEU Chi-restraints excluded: chain A residue 4708 THR Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4725 LEU Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4772 ASP Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4779 LYS Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4787 ASN Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP 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 4804 TYR Chi-restraints excluded: chain A residue 4805 ASN Chi-restraints excluded: chain A residue 4806 ASN Chi-restraints excluded: chain A residue 4812 HIS Chi-restraints excluded: chain A residue 4813 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 4825 THR Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4832 HIS Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4859 PHE 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 4889 VAL Chi-restraints excluded: chain A residue 4897 ILE Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4903 ASP Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4914 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4916 PHE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4927 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4978 HIS Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5011 TRP Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5026 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 36 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 48 PHE Chi-restraints excluded: chain B residue 53 SER Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 61 ASP Chi-restraints excluded: chain B residue 62 LEU Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 116 MET Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 127 MET Chi-restraints excluded: chain B residue 129 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 137 LEU Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 158 SER Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 207 SER Chi-restraints excluded: chain B residue 210 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 231 LEU Chi-restraints excluded: chain B residue 233 ILE Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 329 ARG Chi-restraints excluded: chain B residue 340 LYS Chi-restraints excluded: chain B residue 351 VAL Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 412 ASN Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 418 LEU Chi-restraints excluded: chain B residue 421 PHE Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 443 LEU Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 489 ASN Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 502 HIS Chi-restraints excluded: chain B residue 509 GLU Chi-restraints excluded: chain B residue 518 ILE Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 558 SER Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 567 VAL Chi-restraints excluded: chain B residue 568 LEU Chi-restraints excluded: chain B residue 585 SER Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 603 LEU Chi-restraints excluded: chain B residue 604 CYS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 619 ASP Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 639 ASN 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 661 LYS Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 689 THR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 711 LEU Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 736 HIS Chi-restraints excluded: chain B residue 745 SER Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 774 ASP Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 789 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 796 ARG Chi-restraints excluded: chain B residue 797 HIS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 813 GLU Chi-restraints excluded: chain B residue 818 ARG Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 830 ARG Chi-restraints excluded: chain B residue 838 HIS Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 849 THR Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 863 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 873 LYS Chi-restraints excluded: chain B residue 874 LEU Chi-restraints excluded: chain B residue 876 GLU Chi-restraints excluded: chain B residue 880 GLU Chi-restraints excluded: chain B residue 882 TRP Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 920 TYR Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 935 LEU Chi-restraints excluded: chain B residue 938 HIS Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 969 PRO Chi-restraints excluded: chain B residue 970 LEU Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 975 VAL Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 1029 GLU Chi-restraints excluded: chain B residue 1031 THR Chi-restraints excluded: chain B residue 1038 SER Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1053 ILE Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1097 THR Chi-restraints excluded: chain B residue 1111 PRO Chi-restraints excluded: chain B residue 1112 ASP 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 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1186 ASP Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1210 SER Chi-restraints excluded: chain B residue 1211 LEU Chi-restraints excluded: chain B residue 1223 PHE Chi-restraints excluded: chain B residue 1224 GLU Chi-restraints excluded: chain B residue 1225 PRO Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1579 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1651 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1667 LEU Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1726 SER Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1841 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 1859 VAL Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2091 PRO Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2154 SER Chi-restraints excluded: chain B residue 2163 ARG Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2168 VAL Chi-restraints excluded: chain B residue 2173 GLN Chi-restraints excluded: chain B residue 2176 ASN 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 2206 THR Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2208 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2212 VAL Chi-restraints excluded: chain B residue 2213 ASN Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2233 CYS Chi-restraints excluded: chain B residue 2236 LEU Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2255 SER Chi-restraints excluded: chain B residue 2257 LEU Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2268 GLN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2285 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2313 LEU Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2321 ILE Chi-restraints excluded: chain B residue 2331 TYR Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2360 LYS Chi-restraints excluded: chain B residue 2363 CYS Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2384 ILE Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2422 ILE Chi-restraints excluded: chain B residue 2425 PHE Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2447 LYS Chi-restraints excluded: chain B residue 2467 VAL Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2473 PRO Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2735 PHE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2750 LYS Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2755 ILE Chi-restraints excluded: chain B residue 2758 PHE Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2769 ASP Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2788 HIS Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2798 SER 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 2871 LEU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2920 ARG Chi-restraints excluded: chain B residue 2922 LYS Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2930 LEU Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3650 CYS Chi-restraints excluded: chain B residue 3655 GLU Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3675 ASP Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3734 HIS Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3760 LYS Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3767 GLN Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3769 ARG Chi-restraints excluded: chain B residue 3770 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 3789 GLU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3818 ASP Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3823 LYS Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3831 SER Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3926 LEU Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3949 ARG Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3955 MET Chi-restraints excluded: chain B residue 3956 SER Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3972 PRO Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 3999 MET Chi-restraints excluded: chain B residue 4003 LEU Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4017 LEU Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4031 LEU Chi-restraints excluded: chain B residue 4032 GLU Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4048 LEU Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4056 GLU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4093 PHE Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4138 ASP Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4148 THR Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4168 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 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4201 ASN Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4215 ARG Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4235 VAL Chi-restraints excluded: chain B residue 4236 SER Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4557 ARG Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 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 4576 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4581 LYS Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU 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 4657 CYS Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4659 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4679 ARG Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4690 GLU Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4705 VAL Chi-restraints excluded: chain B residue 4706 LEU Chi-restraints excluded: chain B residue 4708 THR Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4714 ASN Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4725 LEU Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4750 ILE Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4772 ASP Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4787 ASN Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4806 ASN Chi-restraints excluded: chain B residue 4812 HIS Chi-restraints excluded: chain B residue 4813 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 4825 THR Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4839 MET Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4859 PHE Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4863 TYR Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4872 PRO Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4889 VAL Chi-restraints excluded: chain B residue 4897 ILE Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4903 ASP Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4914 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4927 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4938 ASP Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4958 CYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4978 HIS Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5011 TRP Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5026 ASP Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 36 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 48 PHE Chi-restraints excluded: chain C residue 53 SER Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 61 ASP Chi-restraints excluded: chain C residue 62 LEU Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 116 MET Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 127 MET Chi-restraints excluded: chain C residue 129 ASP Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 137 LEU Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 158 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 173 SER 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 191 VAL Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 207 SER Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 223 PHE Chi-restraints excluded: chain C residue 224 HIS Chi-restraints excluded: chain C residue 231 LEU Chi-restraints excluded: chain C residue 233 ILE Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 254 THR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 305 CYS Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 329 ARG Chi-restraints excluded: chain C residue 340 LYS Chi-restraints excluded: chain C residue 351 VAL Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 371 VAL Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 383 HIS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 412 ASN Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 421 PHE Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 451 TYR Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 496 VAL Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 502 HIS Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 518 ILE Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 531 ARG Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 558 SER Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 567 VAL Chi-restraints excluded: chain C residue 568 LEU Chi-restraints excluded: chain C residue 585 SER Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 596 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 603 LEU Chi-restraints excluded: chain C residue 604 CYS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 619 ASP Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 624 ASN Chi-restraints excluded: chain C residue 639 ASN 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 661 LYS Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 689 THR Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 711 LEU Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 725 HIS Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 745 SER Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 774 ASP Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 789 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 796 ARG Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 813 GLU Chi-restraints excluded: chain C residue 818 ARG Chi-restraints excluded: chain C residue 820 ARG Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 830 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 838 HIS Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 849 THR Chi-restraints excluded: chain C residue 858 THR Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 863 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 873 LYS Chi-restraints excluded: chain C residue 874 LEU Chi-restraints excluded: chain C residue 876 GLU Chi-restraints excluded: chain C residue 880 GLU Chi-restraints excluded: chain C residue 882 TRP Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 920 TYR Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 935 LEU Chi-restraints excluded: chain C residue 938 HIS Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 952 LYS Chi-restraints excluded: chain C residue 969 PRO Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 975 VAL Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1029 GLU Chi-restraints excluded: chain C residue 1031 THR Chi-restraints excluded: chain C residue 1038 SER Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1053 ILE Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1097 THR Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1180 ARG Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1186 ASP Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1192 CYS 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 1210 SER Chi-restraints excluded: chain C residue 1211 LEU Chi-restraints excluded: chain C residue 1217 CYS Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1223 PHE Chi-restraints excluded: chain C residue 1224 GLU Chi-restraints excluded: chain C residue 1225 PRO Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1230 MET 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 1251 GLU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1579 MET Chi-restraints excluded: chain C residue 1581 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1644 GLU Chi-restraints excluded: chain C residue 1650 ILE Chi-restraints excluded: chain C residue 1651 LEU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1667 LEU Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1691 GLN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1726 SER Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1783 VAL Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1846 SER Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1859 VAL Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain C residue 2091 PRO Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER 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 2125 HIS Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2140 ARG Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2154 SER Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2163 ARG Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2168 VAL Chi-restraints excluded: chain C residue 2176 ASN Chi-restraints excluded: chain C residue 2182 ILE Chi-restraints excluded: chain C residue 2184 ASN 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 2198 MET Chi-restraints excluded: chain C residue 2206 THR Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2208 MET Chi-restraints excluded: chain C residue 2212 VAL Chi-restraints excluded: chain C residue 2213 ASN Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2233 CYS Chi-restraints excluded: chain C residue 2236 LEU 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 2249 SER Chi-restraints excluded: chain C residue 2255 SER Chi-restraints excluded: chain C residue 2257 LEU Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2268 GLN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2285 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2314 LEU Chi-restraints excluded: chain C residue 2321 ILE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2360 LYS Chi-restraints excluded: chain C residue 2363 CYS Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2384 ILE Chi-restraints excluded: chain C residue 2422 ILE Chi-restraints excluded: chain C residue 2425 PHE Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2447 LYS Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2467 VAL Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2473 PRO Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2735 PHE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2753 SER Chi-restraints excluded: chain C residue 2755 ILE Chi-restraints excluded: chain C residue 2758 PHE Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2769 ASP Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2788 HIS Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2794 TYR Chi-restraints excluded: chain C residue 2798 SER Chi-restraints excluded: chain C residue 2803 GLU 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 2868 SER Chi-restraints excluded: chain C residue 2871 LEU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2920 ARG Chi-restraints excluded: chain C residue 2922 LYS Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2930 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3655 GLU Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3675 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3734 HIS Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3767 GLN Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3769 ARG Chi-restraints excluded: chain C residue 3770 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3817 LEU Chi-restraints excluded: chain C residue 3818 ASP Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3823 LYS Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3831 SER Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3856 LEU Chi-restraints excluded: chain C residue 3874 VAL Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3926 LEU Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3956 SER Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3972 PRO Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3983 SER Chi-restraints excluded: chain C residue 4002 LYS Chi-restraints excluded: chain C residue 4003 LEU Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4017 LEU Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4031 LEU Chi-restraints excluded: chain C residue 4032 GLU Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4048 LEU Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4056 GLU Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4080 TYR Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4093 PHE Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4138 ASP Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4148 THR Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4201 ASN Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4209 GLN Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4218 ILE Chi-restraints excluded: chain C residue 4235 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4557 ARG Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4567 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4581 LYS Chi-restraints excluded: chain C residue 4583 SER Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4647 SER 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 4657 CYS Chi-restraints excluded: chain C residue 4658 ILE Chi-restraints excluded: chain C residue 4659 ILE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4679 ARG Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4705 VAL Chi-restraints excluded: chain C residue 4706 LEU Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4725 LEU Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4750 ILE Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4772 ASP Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4787 ASN Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4805 ASN Chi-restraints excluded: chain C residue 4806 ASN Chi-restraints excluded: chain C residue 4812 HIS Chi-restraints excluded: chain C residue 4813 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 4825 THR Chi-restraints excluded: chain C residue 4830 VAL 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 4849 TYR Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 4863 TYR Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4889 VAL Chi-restraints excluded: chain C residue 4897 ILE Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4903 ASP Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4914 VAL Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4927 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4958 CYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4978 HIS Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5011 TRP Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5026 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 36 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 48 PHE Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 61 ASP Chi-restraints excluded: chain D residue 62 LEU Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 116 MET Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS 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 135 VAL Chi-restraints excluded: chain D residue 137 LEU Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 158 SER Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 207 SER Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 223 PHE Chi-restraints excluded: chain D residue 224 HIS Chi-restraints excluded: chain D residue 231 LEU Chi-restraints excluded: chain D residue 233 ILE Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 254 THR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 329 ARG Chi-restraints excluded: chain D residue 351 VAL Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 412 ASN Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 416 LYS Chi-restraints excluded: chain D residue 418 LEU Chi-restraints excluded: chain D residue 421 PHE Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 443 LEU Chi-restraints excluded: chain D residue 445 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 489 ASN Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 496 VAL Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 502 HIS Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 509 GLU Chi-restraints excluded: chain D residue 518 ILE Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 548 VAL Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 558 SER Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 567 VAL Chi-restraints excluded: chain D residue 568 LEU Chi-restraints excluded: chain D residue 585 SER Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 603 LEU Chi-restraints excluded: chain D residue 604 CYS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 619 ASP Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 639 ASN 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 647 ASN Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 670 GLU Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 689 THR Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 711 LEU Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 725 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 736 HIS Chi-restraints excluded: chain D residue 745 SER Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 774 ASP Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 789 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 813 GLU Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 823 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 830 ARG Chi-restraints excluded: chain D residue 838 HIS Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 849 THR Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 863 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 873 LYS Chi-restraints excluded: chain D residue 874 LEU Chi-restraints excluded: chain D residue 876 GLU Chi-restraints excluded: chain D residue 880 GLU Chi-restraints excluded: chain D residue 882 TRP Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 911 HIS Chi-restraints excluded: chain D residue 920 TYR Chi-restraints excluded: chain D residue 929 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 975 VAL Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1029 GLU Chi-restraints excluded: chain D residue 1031 THR 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 1053 ILE Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1097 THR Chi-restraints excluded: chain D residue 1111 PRO Chi-restraints excluded: chain D residue 1112 ASP 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 1130 GLN Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1180 ARG Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1186 ASP Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1210 SER Chi-restraints excluded: chain D residue 1211 LEU Chi-restraints excluded: chain D residue 1217 CYS Chi-restraints excluded: chain D residue 1223 PHE Chi-restraints excluded: chain D residue 1224 GLU Chi-restraints excluded: chain D residue 1225 PRO Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1230 MET 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 1257 VAL Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1644 GLU Chi-restraints excluded: chain D residue 1651 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1691 GLN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1726 SER Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1783 VAL Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1841 VAL 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 1859 VAL Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2006 ILE 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 2039 LEU Chi-restraints excluded: chain D residue 2091 PRO Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2104 ARG 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 2125 HIS Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2154 SER Chi-restraints excluded: chain D residue 2163 ARG Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2168 VAL Chi-restraints excluded: chain D residue 2176 ASN 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 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2206 THR Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2208 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2212 VAL Chi-restraints excluded: chain D residue 2213 ASN Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2233 CYS Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2255 SER Chi-restraints excluded: chain D residue 2257 LEU Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2268 GLN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2285 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2313 LEU Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2321 ILE Chi-restraints excluded: chain D residue 2331 TYR Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2360 LYS Chi-restraints excluded: chain D residue 2363 CYS Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2384 ILE Chi-restraints excluded: chain D residue 2386 ILE Chi-restraints excluded: chain D residue 2422 ILE Chi-restraints excluded: chain D residue 2425 PHE Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2447 LYS Chi-restraints excluded: chain D residue 2467 VAL Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2473 PRO Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 2735 PHE Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2746 ILE Chi-restraints excluded: chain D residue 2750 LYS Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2787 THR Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2798 SER 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 2868 SER Chi-restraints excluded: chain D residue 2871 LEU Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2920 ARG Chi-restraints excluded: chain D residue 2922 LYS Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2930 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3650 CYS Chi-restraints excluded: chain D residue 3655 GLU Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3675 ASP Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3734 HIS Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3767 GLN Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3769 ARG Chi-restraints excluded: chain D residue 3770 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3781 GLN 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 3796 SER Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3818 ASP Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3823 LYS Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3831 SER Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3856 LEU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3878 ASP Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3926 LEU Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3956 SER Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3972 PRO Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3983 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4003 LEU Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4017 LEU Chi-restraints excluded: chain D residue 4027 LEU Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4032 GLU Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4048 LEU Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4056 GLU Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4093 PHE Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4138 ASP Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4148 THR Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4201 ASN Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4207 MET Chi-restraints excluded: chain D residue 4209 GLN Chi-restraints excluded: chain D residue 4215 ARG Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4218 ILE Chi-restraints excluded: chain D residue 4235 VAL Chi-restraints excluded: chain D residue 4236 SER Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4557 ARG Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4567 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4576 ILE Chi-restraints excluded: chain D residue 4581 LYS Chi-restraints excluded: chain D residue 4583 SER Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU 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 4658 ILE Chi-restraints excluded: chain D residue 4659 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4679 ARG Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4705 VAL Chi-restraints excluded: chain D residue 4706 LEU Chi-restraints excluded: chain D residue 4708 THR Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4714 ASN Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4725 LEU Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4750 ILE Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4772 ASP Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4779 LYS Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4787 ASN Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4790 LEU Chi-restraints excluded: chain D residue 4794 TRP 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 4800 LEU Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4805 ASN Chi-restraints excluded: chain D residue 4806 ASN Chi-restraints excluded: chain D residue 4812 HIS Chi-restraints excluded: chain D residue 4813 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 4825 THR Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4832 HIS Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4841 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4859 PHE Chi-restraints excluded: chain D residue 4863 TYR Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4889 VAL Chi-restraints excluded: chain D residue 4897 ILE Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4903 ASP Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4914 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4927 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4931 ILE Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4943 LEU Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4958 CYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4971 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4978 HIS Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5011 TRP Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5026 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 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 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 919 ASN ** B1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4886 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 533 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2763 HIS ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 349 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1825 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3833 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3169 r_free = 0.3169 target = 0.062542 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 33)----------------| | r_work = 0.2788 r_free = 0.2788 target = 0.049175 restraints weight = 681399.749| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.2773 r_free = 0.2773 target = 0.048961 restraints weight = 471195.544| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 24)----------------| | r_work = 0.2780 r_free = 0.2780 target = 0.049156 restraints weight = 376206.323| |-----------------------------------------------------------------------------| r_work (final): 0.2771 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8559 moved from start: 1.0260 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.051 0.360 119312 Z= 3.298 Angle : 3.119 59.105 162720 Z= 1.559 Chirality : 0.142 2.088 19040 Planarity : 0.019 0.238 21416 Dihedral : 14.645 168.255 17649 Min Nonbonded Distance : 1.299 Molprobity Statistics. All-atom Clashscore : 100.30 Ramachandran Plot: Outliers : 2.58 % Allowed : 37.49 % Favored : 59.93 % Rotamer: Outliers : 27.08 % Allowed : 28.40 % Favored : 44.52 % Cbeta Deviations : 0.37 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.91 % Twisted General : 4.35 % 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: -7.40 (0.04), residues: 12808 helix: -4.63 (0.03), residues: 5992 sheet: -4.26 (0.12), residues: 1104 loop : -5.39 (0.05), residues: 5712 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.123 0.010 TRP B2807 HIS 0.385 0.008 HIS A4832 PHE 0.110 0.010 PHE A4195 TYR 0.076 0.009 TYR B4580 ARG 0.052 0.003 ARG D 758 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 76833.01 seconds wall clock time: 1314 minutes 6.21 seconds (78846.21 seconds total)