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*** ***elNémo ID: 230405155226123558Job options:ID = 230405155226123558 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 10 CAONLY = 0 Input data for this run:data_1HHP # _entry.id 1HHP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1HHP WWPDB D_1000173858 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1HHP _pdbx_database_status.recvd_initial_deposition_date 1992-05-27 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Spinelli, S.' 1 'Alzari, P.M.' 2 # _citation.id primary _citation.title 'The three-dimensional structure of the aspartyl protease from the HIV-1 isolate BRU.' _citation.journal_abbrev Biochimie _citation.journal_volume 73 _citation.page_first 1391 _citation.page_last 1396 _citation.year 1991 _citation.journal_id_ASTM BICMBE _citation.country FR _citation.journal_id_ISSN 0300-9084 _citation.journal_id_CSD 0466 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 1799632 _citation.pdbx_database_id_DOI '10.1016/0300-9084(91)90169-2' # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Spinelli, S.' 1 primary 'Liu, Q.Z.' 2 primary 'Alzari, P.M.' 3 primary 'Hirel, P.H.' 4 primary 'Poljak, R.J.' 5 # _cell.entry_id 1HHP _cell.length_a 50.200 _cell.length_b 50.200 _cell.length_c 106.800 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1HHP _symmetry.space_group_name_H-M 'P 41 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 92 # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description 'UNLIGANDED HIV-1 PROTEASE' _entity.formula_weight 10803.756 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.details ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPT PVNIIGRNLLTQIGCTLNF ; _entity_poly.pdbx_seq_one_letter_code_can ;PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPT PVNIIGRNLLTQIGCTLNF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 GLN n 1 3 ILE n 1 4 THR n 1 5 LEU n 1 6 TRP n 1 7 GLN n 1 8 ARG n 1 9 PRO n 1 10 LEU n 1 11 VAL n 1 12 THR n 1 13 ILE n 1 14 LYS n 1 15 ILE n 1 16 GLY n 1 17 GLY n 1 18 GLN n 1 19 LEU n 1 20 LYS n 1 21 GLU n 1 22 ALA n 1 23 LEU n 1 24 LEU n 1 25 ASP n 1 26 THR n 1 27 GLY n 1 28 ALA n 1 29 ASP n 1 30 ASP n 1 31 THR n 1 32 VAL n 1 33 LEU n 1 34 GLU n 1 35 GLU n 1 36 MET n 1 37 SER n 1 38 LEU n 1 39 PRO n 1 40 GLY n 1 41 ARG n 1 42 TRP n 1 43 LYS n 1 44 PRO n 1 45 LYS n 1 46 MET n 1 47 ILE n 1 48 GLY n 1 49 GLY n 1 50 ILE n 1 51 GLY n 1 52 GLY n 1 53 PHE n 1 54 ILE n 1 55 LYS n 1 56 VAL n 1 57 ARG n 1 58 GLN n 1 59 TYR n 1 60 ASP n 1 61 GLN n 1 62 ILE n 1 63 LEU n 1 64 ILE n 1 65 GLU n 1 66 ILE n 1 67 CYS n 1 68 GLY n 1 69 HIS n 1 70 LYS n 1 71 ALA n 1 72 ILE n 1 73 GLY n 1 74 THR n 1 75 VAL n 1 76 LEU n 1 77 VAL n 1 78 GLY n 1 79 PRO n 1 80 THR n 1 81 PRO n 1 82 VAL n 1 83 ASN n 1 84 ILE n 1 85 ILE n 1 86 GLY n 1 87 ARG n 1 88 ASN n 1 89 LEU n 1 90 LEU n 1 91 THR n 1 92 GLN n 1 93 ILE n 1 94 GLY n 1 95 CYS n 1 96 THR n 1 97 LEU n 1 98 ASN n 1 99 PHE n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus Lentivirus _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species 'Human immunodeficiency virus 1' _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Human immunodeficiency virus type 1 (BRU ISOLATE)' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11686 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code POL_HV1BR _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P03367 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;FFREDLAFLQGKAREFSSEQTRANSPTISSEQTRANSPTRRELQVWGRDNNSLSEAGADRQGTVSFNFPQITLWQRPLVT IKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQ IGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRK LVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGW KGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYE LHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEP VHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARTRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPI QKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAASRETKLGKAGYVTNRGRQKVVTLTDTT NQKTELQAIHLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVS AGIRKVLFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVI LVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVES MNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDP LWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1HHP _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 99 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P03367 _struct_ref_seq.db_align_beg 69 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 167 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 99 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1HHP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.11 _exptl_crystal.density_percent_sol 60.48 _exptl_crystal.description ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.entry_id 1HHP _refine.ls_number_reflns_obs ? _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low ? _refine.ls_d_res_high 2.7 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1900000 _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 758 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 758 _refine_hist.d_res_high 2.7 _refine_hist.d_res_low . # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function x_bond_d 0.018 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 3.8 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1HHP _struct.title 'THE THREE-DIMENSIONAL STRUCTURE OF THE ASPARTYL PROTEASE FROM THE HIV-1 ISOLATE BRU' _struct.pdbx_descriptor 'HIV-1 PROTEASE (BRU ISOLATE)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1HHP _struct_keywords.pdbx_keywords 'HYDROLASE(ACID PROTEINASE)' _struct_keywords.text 'HYDROLASE(ACID PROTEINASE)' # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _struct_biol.id 1 # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id 1 _struct_conf.beg_label_comp_id GLY _struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 86 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id GLY _struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 94 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id GLY _struct_conf.beg_auth_asym_id A _struct_conf.beg_auth_seq_id 86 _struct_conf.end_auth_comp_id GLY _struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 94 _struct_conf.pdbx_PDB_helix_class 1 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 9 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 8 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? parallel A 4 5 ? anti-parallel A 5 6 ? parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LYS A 43 ? GLY A 49 ? LYS A 43 GLY A 49 A 2 GLY A 52 ? ILE A 66 ? GLY A 52 ILE A 66 A 3 HIS A 69 ? GLY A 78 ? HIS A 69 GLY A 78 A 4 VAL A 32 ? GLU A 34 ? VAL A 32 GLU A 34 A 5 ILE A 84 ? ILE A 85 ? ILE A 84 ILE A 85 A 6 LEU A 19 ? LEU A 24 ? LEU A 19 LEU A 24 A 7 LEU A 10 ? LYS A 14 ? LEU A 10 LYS A 14 A 8 GLY A 52 ? ILE A 66 ? GLY A 52 ILE A 66 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N LYS A 45 ? N LYS A 45 O VAL A 56 ? O VAL A 56 A 2 3 N ILE A 62 ? N ILE A 62 O GLY A 73 ? O GLY A 73 A 3 4 O LEU A 76 ? O LEU A 76 N LEU A 33 ? N LEU A 33 A 4 5 N VAL A 32 ? N VAL A 32 O ILE A 84 ? O ILE A 84 A 5 6 O ILE A 85 ? O ILE A 85 N LEU A 23 ? N LEU A 23 A 6 7 O LYS A 20 ? O LYS A 20 N ILE A 13 ? N ILE A 13 A 7 8 N LYS A 14 ? N LYS A 14 O GLU A 65 ? O GLU A 65 # _database_PDB_matrix.entry_id 1HHP _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1HHP _atom_sites.fract_transf_matrix[1][1] 0.019920 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019920 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.009363 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PRO A 1 1 ? 52.574 58.851 -7.646 1.00 34.60 ? 1 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? 51.842 59.784 -6.815 1.00 34.88 ? 1 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? 52.146 59.438 -5.356 1.00 36.01 ? 1 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? 53.031 58.612 -5.150 1.00 35.05 ? 1 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? 50.391 59.581 -7.189 1.00 34.07 ? 1 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? 50.353 58.166 -7.724 1.00 32.00 ? 1 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? 51.621 58.242 -8.540 1.00 31.72 ? 1 PRO A CD 1 ATOM 8 N N . GLN A 1 2 ? 51.488 60.047 -4.359 1.00 35.47 ? 2 GLN A N 1 ATOM 9 C CA . GLN A 1 2 ? 51.577 59.564 -2.997 1.00 35.15 ? 2 GLN A CA 1 ATOM 10 C C . GLN A 1 2 ? 50.109 59.273 -2.694 1.00 33.50 ? 2 GLN A C 1 ATOM 11 O O . GLN A 1 2 ? 49.368 60.231 -2.829 1.00 37.45 ? 2 GLN A O 1 ATOM 12 C CB . GLN A 1 2 ? 52.076 60.630 -2.075 1.00 37.17 ? 2 GLN A CB 1 ATOM 13 C CG . GLN A 1 2 ? 52.024 59.911 -0.749 1.00 42.02 ? 2 GLN A CG 1 ATOM 14 C CD . GLN A 1 2 ? 52.639 60.592 0.439 1.00 43.50 ? 2 GLN A CD 1 ATOM 15 O OE1 . GLN A 1 2 ? 53.841 60.484 0.675 1.00 44.41 ? 2 GLN A OE1 1 ATOM 16 N NE2 . GLN A 1 2 ? 51.824 61.272 1.246 1.00 43.72 ? 2 GLN A NE2 1 ATOM 17 N N . ILE A 1 3 ? 49.555 58.119 -2.306 1.00 30.33 ? 3 ILE A N 1 ATOM 18 C CA . ILE A 1 3 ? 48.107 57.932 -2.171 1.00 27.03 ? 3 ILE A CA 1 ATOM 19 C C . ILE A 1 3 ? 47.924 57.639 -0.692 1.00 26.95 ? 3 ILE A C 1 ATOM 20 O O . ILE A 1 3 ? 48.736 56.921 -0.102 1.00 25.73 ? 3 ILE A O 1 ATOM 21 C CB . ILE A 1 3 ? 47.623 56.740 -3.053 1.00 24.36 ? 3 ILE A CB 1 ATOM 22 C CG1 . ILE A 1 3 ? 47.870 57.072 -4.513 1.00 24.07 ? 3 ILE A CG1 1 ATOM 23 C CG2 . ILE A 1 3 ? 46.116 56.491 -2.898 1.00 22.78 ? 3 ILE A CG2 1 ATOM 24 C CD1 . ILE A 1 3 ? 47.651 55.899 -5.455 1.00 21.74 ? 3 ILE A CD1 1 ATOM 25 N N . THR A 1 4 ? 46.933 58.239 -0.055 1.00 24.74 ? 4 THR A N 1 ATOM 26 C CA . THR A 1 4 ? 46.701 58.033 1.344 1.00 25.63 ? 4 THR A CA 1 ATOM 27 C C . THR A 1 4 ? 45.538 57.047 1.421 1.00 27.68 ? 4 THR A C 1 ATOM 28 O O . THR A 1 4 ? 44.798 56.901 0.423 1.00 29.86 ? 4 THR A O 1 ATOM 29 C CB . THR A 1 4 ? 46.378 59.394 1.948 1.00 25.77 ? 4 THR A CB 1 ATOM 30 O OG1 . THR A 1 4 ? 45.232 59.946 1.314 1.00 26.30 ? 4 THR A OG1 1 ATOM 31 C CG2 . THR A 1 4 ? 47.496 60.335 1.728 1.00 25.63 ? 4 THR A CG2 1 ATOM 32 N N . LEU A 1 5 ? 45.285 56.360 2.548 1.00 26.30 ? 5 LEU A N 1 ATOM 33 C CA . LEU A 1 5 ? 44.183 55.442 2.514 1.00 22.06 ? 5 LEU A CA 1 ATOM 34 C C . LEU A 1 5 ? 42.972 55.921 3.284 1.00 21.26 ? 5 LEU A C 1 ATOM 35 O O . LEU A 1 5 ? 42.160 55.105 3.738 1.00 23.56 ? 5 LEU A O 1 ATOM 36 C CB . LEU A 1 5 ? 44.665 54.100 3.017 1.00 22.16 ? 5 LEU A CB 1 ATOM 37 C CG . LEU A 1 5 ? 45.655 53.176 2.295 1.00 21.13 ? 5 LEU A CG 1 ATOM 38 C CD1 . LEU A 1 5 ? 45.713 53.492 0.837 1.00 20.48 ? 5 LEU A CD1 1 ATOM 39 C CD2 . LEU A 1 5 ? 47.049 53.394 2.824 1.00 20.76 ? 5 LEU A CD2 1 ATOM 40 N N . TRP A 1 6 ? 42.728 57.237 3.380 1.00 18.14 ? 6 TRP A N 1 ATOM 41 C CA . TRP A 1 6 ? 41.544 57.701 4.088 1.00 18.46 ? 6 TRP A CA 1 ATOM 42 C C . TRP A 1 6 ? 40.358 57.249 3.247 1.00 23.40 ? 6 TRP A C 1 ATOM 43 O O . TRP A 1 6 ? 39.283 57.041 3.786 1.00 27.99 ? 6 TRP A O 1 ATOM 44 C CB . TRP A 1 6 ? 41.488 59.204 4.211 1.00 16.88 ? 6 TRP A CB 1 ATOM 45 C CG . TRP A 1 6 ? 42.486 59.783 5.184 1.00 18.72 ? 6 TRP A CG 1 ATOM 46 C CD1 . TRP A 1 6 ? 43.649 60.379 4.759 1.00 19.20 ? 6 TRP A CD1 1 ATOM 47 C CD2 . TRP A 1 6 ? 42.387 59.729 6.551 1.00 22.30 ? 6 TRP A CD2 1 ATOM 48 N NE1 . TRP A 1 6 ? 44.299 60.686 5.852 1.00 19.21 ? 6 TRP A NE1 1 ATOM 49 C CE2 . TRP A 1 6 ? 43.588 60.320 6.940 1.00 22.30 ? 6 TRP A CE2 1 ATOM 50 C CE3 . TRP A 1 6 ? 41.482 59.284 7.505 1.00 22.76 ? 6 TRP A CE3 1 ATOM 51 C CZ2 . TRP A 1 6 ? 43.873 60.464 8.287 1.00 22.88 ? 6 TRP A CZ2 1 ATOM 52 C CZ3 . TRP A 1 6 ? 41.777 59.438 8.840 1.00 24.11 ? 6 TRP A CZ3 1 ATOM 53 C CH2 . TRP A 1 6 ? 42.969 60.024 9.234 1.00 23.19 ? 6 TRP A CH2 1 ATOM 54 N N . GLN A 1 7 ? 40.451 57.050 1.936 1.00 25.39 ? 7 GLN A N 1 ATOM 55 C CA . GLN A 1 7 ? 39.388 56.510 1.115 1.00 27.79 ? 7 GLN A CA 1 ATOM 56 C C . GLN A 1 7 ? 39.991 55.345 0.336 1.00 27.15 ? 7 GLN A C 1 ATOM 57 O O . GLN A 1 7 ? 41.185 55.385 0.038 1.00 32.71 ? 7 GLN A O 1 ATOM 58 C CB . GLN A 1 7 ? 38.924 57.475 0.099 1.00 33.04 ? 7 GLN A CB 1 ATOM 59 C CG . GLN A 1 7 ? 38.022 58.599 0.521 1.00 42.60 ? 7 GLN A CG 1 ATOM 60 C CD . GLN A 1 7 ? 37.782 59.430 -0.741 1.00 47.86 ? 7 GLN A CD 1 ATOM 61 O OE1 . GLN A 1 7 ? 38.623 60.248 -1.142 1.00 49.89 ? 7 GLN A OE1 1 ATOM 62 N NE2 . GLN A 1 7 ? 36.657 59.248 -1.443 1.00 50.16 ? 7 GLN A NE2 1 ATOM 63 N N . ARG A 1 8 ? 39.229 54.333 -0.081 1.00 23.61 ? 8 ARG A N 1 ATOM 64 C CA . ARG A 1 8 ? 39.662 53.213 -0.904 1.00 20.69 ? 8 ARG A CA 1 ATOM 65 C C . ARG A 1 8 ? 40.583 53.656 -2.009 1.00 19.98 ? 8 ARG A C 1 ATOM 66 O O . ARG A 1 8 ? 40.173 54.523 -2.764 1.00 22.02 ? 8 ARG A O 1 ATOM 67 C CB . ARG A 1 8 ? 38.468 52.553 -1.552 1.00 20.30 ? 8 ARG A CB 1 ATOM 68 C CG . ARG A 1 8 ? 37.584 51.732 -0.660 1.00 23.11 ? 8 ARG A CG 1 ATOM 69 C CD . ARG A 1 8 ? 36.449 51.269 -1.532 1.00 27.73 ? 8 ARG A CD 1 ATOM 70 N NE . ARG A 1 8 ? 35.723 50.113 -1.025 1.00 31.19 ? 8 ARG A NE 1 ATOM 71 C CZ . ARG A 1 8 ? 34.915 50.120 0.047 1.00 33.17 ? 8 ARG A CZ 1 ATOM 72 N NH1 . ARG A 1 8 ? 34.765 51.137 0.903 1.00 35.98 ? 8 ARG A NH1 1 ATOM 73 N NH2 . ARG A 1 8 ? 34.235 49.016 0.305 1.00 37.95 ? 8 ARG A NH2 1 ATOM 74 N N . PRO A 1 9 ? 41.771 53.155 -2.212 1.00 18.20 ? 9 PRO A N 1 ATOM 75 C CA . PRO A 1 9 ? 42.708 53.768 -3.078 1.00 18.91 ? 9 PRO A CA 1 ATOM 76 C C . PRO A 1 9 ? 42.319 53.444 -4.519 1.00 22.17 ? 9 PRO A C 1 ATOM 77 O O . PRO A 1 9 ? 43.052 52.666 -5.134 1.00 25.25 ? 9 PRO A O 1 ATOM 78 C CB . PRO A 1 9 ? 43.995 53.178 -2.540 1.00 17.87 ? 9 PRO A CB 1 ATOM 79 C CG . PRO A 1 9 ? 43.628 51.745 -2.295 1.00 15.62 ? 9 PRO A CG 1 ATOM 80 C CD . PRO A 1 9 ? 42.298 51.932 -1.638 1.00 18.00 ? 9 PRO A CD 1 ATOM 81 N N . LEU A 1 10 ? 41.190 53.900 -5.120 1.00 25.29 ? 10 LEU A N 1 ATOM 82 C CA . LEU A 1 10 ? 40.903 53.618 -6.532 1.00 25.36 ? 10 LEU A CA 1 ATOM 83 C C . LEU A 1 10 ? 41.712 54.463 -7.473 1.00 25.20 ? 10 LEU A C 1 ATOM 84 O O . LEU A 1 10 ? 41.975 55.624 -7.171 1.00 25.19 ? 10 LEU A O 1 ATOM 85 C CB . LEU A 1 10 ? 39.476 53.859 -6.923 1.00 23.47 ? 10 LEU A CB 1 ATOM 86 C CG . LEU A 1 10 ? 38.466 52.905 -6.369 1.00 25.83 ? 10 LEU A CG 1 ATOM 87 C CD1 . LEU A 1 10 ? 38.991 51.469 -6.293 1.00 23.08 ? 10 LEU A CD1 1 ATOM 88 C CD2 . LEU A 1 10 ? 38.179 53.328 -4.970 1.00 27.63 ? 10 LEU A CD2 1 ATOM 89 N N . VAL A 1 11 ? 42.090 53.891 -8.611 1.00 26.67 ? 11 VAL A N 1 ATOM 90 C CA . VAL A 1 11 ? 42.884 54.589 -9.625 1.00 28.60 ? 11 VAL A CA 1 ATOM 91 C C . VAL A 1 11 ? 42.363 54.247 -11.013 1.00 30.66 ? 11 VAL A C 1 ATOM 92 O O . VAL A 1 11 ? 41.669 53.233 -11.136 1.00 32.14 ? 11 VAL A O 1 ATOM 93 C CB . VAL A 1 11 ? 44.400 54.206 -9.591 1.00 25.39 ? 11 VAL A CB 1 ATOM 94 C CG1 . VAL A 1 11 ? 45.091 54.803 -8.376 1.00 24.64 ? 11 VAL A CG1 1 ATOM 95 C CG2 . VAL A 1 11 ? 44.519 52.709 -9.607 1.00 23.29 ? 11 VAL A CG2 1 ATOM 96 N N . THR A 1 12 ? 42.614 55.067 -12.049 1.00 32.99 ? 12 THR A N 1 ATOM 97 C CA . THR A 1 12 ? 42.251 54.709 -13.425 1.00 36.63 ? 12 THR A CA 1 ATOM 98 C C . THR A 1 12 ? 43.387 54.002 -14.159 1.00 34.17 ? 12 THR A C 1 ATOM 99 O O . THR A 1 12 ? 44.577 54.320 -14.090 1.00 35.08 ? 12 THR A O 1 ATOM 100 C CB . THR A 1 12 ? 41.771 56.020 -14.117 1.00 40.88 ? 12 THR A CB 1 ATOM 101 O OG1 . THR A 1 12 ? 40.353 55.833 -14.062 1.00 43.82 ? 12 THR A OG1 1 ATOM 102 C CG2 . THR A 1 12 ? 42.174 56.307 -15.546 1.00 41.85 ? 12 THR A CG2 1 ATOM 103 N N . ILE A 1 13 ? 42.961 52.927 -14.765 1.00 33.38 ? 13 ILE A N 1 ATOM 104 C CA . ILE A 1 13 ? 43.809 51.981 -15.445 1.00 34.39 ? 13 ILE A CA 1 ATOM 105 C C . ILE A 1 13 ? 43.345 52.063 -16.884 1.00 36.99 ? 13 ILE A C 1 ATOM 106 O O . ILE A 1 13 ? 42.154 52.278 -17.173 1.00 37.99 ? 13 ILE A O 1 ATOM 107 C CB . ILE A 1 13 ? 43.607 50.505 -14.962 1.00 33.54 ? 13 ILE A CB 1 ATOM 108 C CG1 . ILE A 1 13 ? 42.216 49.996 -15.324 1.00 34.48 ? 13 ILE A CG1 1 ATOM 109 C CG2 . ILE A 1 13 ? 43.731 50.444 -13.442 1.00 32.74 ? 13 ILE A CG2 1 ATOM 110 C CD1 . ILE A 1 13 ? 41.973 48.495 -15.188 1.00 36.51 ? 13 ILE A CD1 1 ATOM 111 N N . LYS A 1 14 ? 44.285 51.866 -17.787 1.00 40.82 ? 14 LYS A N 1 ATOM 112 C CA . LYS A 1 14 ? 43.975 51.774 -19.198 1.00 42.45 ? 14 LYS A CA 1 ATOM 113 C C . LYS A 1 14 ? 44.475 50.390 -19.569 1.00 43.63 ? 14 LYS A C 1 ATOM 114 O O . LYS A 1 14 ? 45.621 50.033 -19.234 1.00 42.86 ? 14 LYS A O 1 ATOM 115 C CB . LYS A 1 14 ? 44.725 52.810 -19.949 1.00 44.04 ? 14 LYS A CB 1 ATOM 116 C CG . LYS A 1 14 ? 44.209 52.898 -21.346 1.00 47.75 ? 14 LYS A CG 1 ATOM 117 C CD . LYS A 1 14 ? 45.202 53.811 -22.020 1.00 52.01 ? 14 LYS A CD 1 ATOM 118 C CE . LYS A 1 14 ? 45.042 53.776 -23.533 1.00 53.80 ? 14 LYS A CE 1 ATOM 119 N NZ . LYS A 1 14 ? 46.207 54.435 -24.110 1.00 56.01 ? 14 LYS A NZ 1 ATOM 120 N N . ILE A 1 15 ? 43.557 49.599 -20.148 1.00 44.56 ? 15 ILE A N 1 ATOM 121 C CA . ILE A 1 15 ? 43.797 48.245 -20.632 1.00 43.02 ? 15 ILE A CA 1 ATOM 122 C C . ILE A 1 15 ? 42.830 48.038 -21.762 1.00 42.94 ? 15 ILE A C 1 ATOM 123 O O . ILE A 1 15 ? 41.638 48.296 -21.627 1.00 43.83 ? 15 ILE A O 1 ATOM 124 C CB . ILE A 1 15 ? 43.544 47.158 -19.537 1.00 41.58 ? 15 ILE A CB 1 ATOM 125 C CG1 . ILE A 1 15 ? 43.742 45.759 -20.140 1.00 40.77 ? 15 ILE A CG1 1 ATOM 126 C CG2 . ILE A 1 15 ? 42.154 47.291 -18.945 1.00 41.54 ? 15 ILE A CG2 1 ATOM 127 C CD1 . ILE A 1 15 ? 43.881 44.661 -19.056 1.00 40.62 ? 15 ILE A CD1 1 ATOM 128 N N . GLY A 1 16 ? 43.345 47.581 -22.893 1.00 43.78 ? 16 GLY A N 1 ATOM 129 C CA . GLY A 1 16 ? 42.521 47.316 -24.076 1.00 45.75 ? 16 GLY A CA 1 ATOM 130 C C . GLY A 1 16 ? 41.964 48.592 -24.726 1.00 48.11 ? 16 GLY A C 1 ATOM 131 O O . GLY A 1 16 ? 40.960 48.556 -25.456 1.00 48.82 ? 16 GLY A O 1 ATOM 132 N N . GLY A 1 17 ? 42.516 49.791 -24.520 1.00 48.06 ? 17 GLY A N 1 ATOM 133 C CA . GLY A 1 17 ? 41.869 50.971 -25.072 1.00 48.69 ? 17 GLY A CA 1 ATOM 134 C C . GLY A 1 17 ? 40.802 51.384 -24.071 1.00 49.54 ? 17 GLY A C 1 ATOM 135 O O . GLY A 1 17 ? 40.610 52.568 -23.776 1.00 52.37 ? 17 GLY A O 1 ATOM 136 N N . GLN A 1 18 ? 40.078 50.370 -23.590 1.00 47.98 ? 18 GLN A N 1 ATOM 137 C CA . GLN A 1 18 ? 39.188 50.443 -22.473 1.00 47.74 ? 18 GLN A CA 1 ATOM 138 C C . GLN A 1 18 ? 39.935 51.087 -21.300 1.00 46.35 ? 18 GLN A C 1 ATOM 139 O O . GLN A 1 18 ? 41.121 50.878 -21.016 1.00 44.67 ? 18 GLN A O 1 ATOM 140 C CB . GLN A 1 18 ? 38.736 49.014 -22.151 1.00 51.26 ? 18 GLN A CB 1 ATOM 141 C CG . GLN A 1 18 ? 37.895 48.309 -23.231 1.00 54.89 ? 18 GLN A CG 1 ATOM 142 C CD . GLN A 1 18 ? 38.326 46.866 -23.599 1.00 58.22 ? 18 GLN A CD 1 ATOM 143 O OE1 . GLN A 1 18 ? 37.897 45.852 -23.013 1.00 59.98 ? 18 GLN A OE1 1 ATOM 144 N NE2 . GLN A 1 18 ? 39.131 46.666 -24.645 1.00 59.85 ? 18 GLN A NE2 1 ATOM 145 N N . LEU A 1 19 ? 39.190 51.968 -20.656 1.00 45.69 ? 19 LEU A N 1 ATOM 146 C CA . LEU A 1 19 ? 39.687 52.728 -19.521 1.00 43.44 ? 19 LEU A CA 1 ATOM 147 C C . LEU A 1 19 ? 38.776 52.323 -18.356 1.00 43.70 ? 19 LEU A C 1 ATOM 148 O O . LEU A 1 19 ? 37.554 52.526 -18.469 1.00 42.20 ? 19 LEU A O 1 ATOM 149 C CB . LEU A 1 19 ? 39.525 54.179 -19.841 1.00 39.24 ? 19 LEU A CB 1 ATOM 150 C CG . LEU A 1 19 ? 40.189 55.184 -19.010 1.00 36.66 ? 19 LEU A CG 1 ATOM 151 C CD1 . LEU A 1 19 ? 41.564 55.427 -19.597 1.00 35.32 ? 19 LEU A CD1 1 ATOM 152 C CD2 . LEU A 1 19 ? 39.347 56.462 -18.998 1.00 35.94 ? 19 LEU A CD2 1 ATOM 153 N N . LYS A 1 20 ? 39.313 51.723 -17.272 1.00 43.35 ? 20 LYS A N 1 ATOM 154 C CA . LYS A 1 20 ? 38.532 51.307 -16.096 1.00 40.02 ? 20 LYS A CA 1 ATOM 155 C C . LYS A 1 20 ? 39.110 51.912 -14.817 1.00 38.58 ? 20 LYS A C 1 ATOM 156 O O . LYS A 1 20 ? 40.144 52.611 -14.889 1.00 38.28 ? 20 LYS A O 1 ATOM 157 C CB . LYS A 1 20 ? 38.564 49.812 -15.983 1.00 38.80 ? 20 LYS A CB 1 ATOM 158 C CG . LYS A 1 20 ? 37.689 49.194 -17.011 1.00 38.09 ? 20 LYS A CG 1 ATOM 159 C CD . LYS A 1 20 ? 38.136 47.764 -17.037 1.00 41.78 ? 20 LYS A CD 1 ATOM 160 C CE . LYS A 1 20 ? 37.284 46.927 -17.991 1.00 44.93 ? 20 LYS A CE 1 ATOM 161 N NZ . LYS A 1 20 ? 36.923 47.650 -19.212 1.00 47.09 ? 20 LYS A NZ 1 ATOM 162 N N . GLU A 1 21 ? 38.475 51.736 -13.639 1.00 35.79 ? 21 GLU A N 1 ATOM 163 C CA . GLU A 1 21 ? 39.141 52.167 -12.417 1.00 33.74 ? 21 GLU A CA 1 ATOM 164 C C . GLU A 1 21 ? 39.287 50.951 -11.525 1.00 32.24 ? 21 GLU A C 1 ATOM 165 O O . GLU A 1 21 ? 38.403 50.088 -11.544 1.00 31.91 ? 21 GLU A O 1 ATOM 166 C CB . GLU A 1 21 ? 38.364 53.249 -11.698 1.00 36.60 ? 21 GLU A CB 1 ATOM 167 C CG . GLU A 1 21 ? 36.934 53.027 -11.238 1.00 40.38 ? 21 GLU A CG 1 ATOM 168 C CD . GLU A 1 21 ? 36.374 54.178 -10.387 1.00 44.46 ? 21 GLU A CD 1 ATOM 169 O OE1 . GLU A 1 21 ? 37.078 55.207 -10.248 1.00 45.39 ? 21 GLU A OE1 1 ATOM 170 O OE2 . GLU A 1 21 ? 35.244 54.028 -9.863 1.00 41.59 ? 21 GLU A OE2 1 ATOM 171 N N . ALA A 1 22 ? 40.390 50.790 -10.798 1.00 29.53 ? 22 ALA A N 1 ATOM 172 C CA . ALA A 1 22 ? 40.640 49.603 -10.016 1.00 26.75 ? 22 ALA A CA 1 ATOM 173 C C . ALA A 1 22 ? 41.292 49.987 -8.702 1.00 27.55 ? 22 ALA A C 1 ATOM 174 O O . ALA A 1 22 ? 41.781 51.112 -8.555 1.00 30.39 ? 22 ALA A O 1 ATOM 175 C CB . ALA A 1 22 ? 41.547 48.715 -10.797 1.00 24.71 ? 22 ALA A CB 1 ATOM 176 N N . LEU A 1 23 ? 41.232 49.062 -7.747 1.00 24.36 ? 23 LEU A N 1 ATOM 177 C CA . LEU A 1 23 ? 41.703 49.173 -6.386 1.00 20.24 ? 23 LEU A CA 1 ATOM 178 C C . LEU A 1 23 ? 43.162 48.797 -6.266 1.00 21.61 ? 23 LEU A C 1 ATOM 179 O O . LEU A 1 23 ? 43.483 47.720 -6.761 1.00 22.66 ? 23 LEU A O 1 ATOM 180 C CB . LEU A 1 23 ? 40.836 48.254 -5.598 1.00 18.64 ? 23 LEU A CB 1 ATOM 181 C CG . LEU A 1 23 ? 40.860 48.079 -4.108 1.00 16.10 ? 23 LEU A CG 1 ATOM 182 C CD1 . LEU A 1 23 ? 39.931 49.018 -3.485 1.00 12.80 ? 23 LEU A CD1 1 ATOM 183 C CD2 . LEU A 1 23 ? 40.348 46.702 -3.765 1.00 17.40 ? 23 LEU A CD2 1 ATOM 184 N N . LEU A 1 24 ? 44.101 49.551 -5.665 1.00 22.09 ? 24 LEU A N 1 ATOM 185 C CA . LEU A 1 24 ? 45.477 49.089 -5.522 1.00 20.88 ? 24 LEU A CA 1 ATOM 186 C C . LEU A 1 24 ? 45.439 48.327 -4.190 1.00 21.60 ? 24 LEU A C 1 ATOM 187 O O . LEU A 1 24 ? 45.270 48.859 -3.092 1.00 20.50 ? 24 LEU A O 1 ATOM 188 C CB . LEU A 1 24 ? 46.384 50.288 -5.468 1.00 20.45 ? 24 LEU A CB 1 ATOM 189 C CG . LEU A 1 24 ? 46.373 51.311 -6.598 1.00 20.83 ? 24 LEU A CG 1 ATOM 190 C CD1 . LEU A 1 24 ? 46.950 52.604 -6.101 1.00 20.92 ? 24 LEU A CD1 1 ATOM 191 C CD2 . LEU A 1 24 ? 47.241 50.873 -7.727 1.00 22.78 ? 24 LEU A CD2 1 ATOM 192 N N . ASP A 1 25 ? 45.593 47.016 -4.252 1.00 22.55 ? 25 ASP A N 1 ATOM 193 C CA . ASP A 1 25 ? 45.318 46.159 -3.128 1.00 21.20 ? 25 ASP A CA 1 ATOM 194 C C . ASP A 1 25 ? 46.571 45.427 -2.785 1.00 20.68 ? 25 ASP A C 1 ATOM 195 O O . ASP A 1 25 ? 46.810 44.364 -3.340 1.00 22.04 ? 25 ASP A O 1 ATOM 196 C CB . ASP A 1 25 ? 44.203 45.244 -3.593 1.00 21.47 ? 25 ASP A CB 1 ATOM 197 C CG . ASP A 1 25 ? 43.522 44.325 -2.619 1.00 23.91 ? 25 ASP A CG 1 ATOM 198 O OD1 . ASP A 1 25 ? 44.117 43.999 -1.608 1.00 25.64 ? 25 ASP A OD1 1 ATOM 199 O OD2 . ASP A 1 25 ? 42.389 43.914 -2.880 1.00 28.45 ? 25 ASP A OD2 1 ATOM 200 N N . THR A 1 26 ? 47.351 45.873 -1.794 1.00 18.85 ? 26 THR A N 1 ATOM 201 C CA . THR A 1 26 ? 48.582 45.179 -1.430 1.00 14.97 ? 26 THR A CA 1 ATOM 202 C C . THR A 1 26 ? 48.281 43.832 -0.845 1.00 13.08 ? 26 THR A C 1 ATOM 203 O O . THR A 1 26 ? 49.198 43.056 -0.636 1.00 18.05 ? 26 THR A O 1 ATOM 204 C CB . THR A 1 26 ? 49.398 46.024 -0.434 1.00 15.32 ? 26 THR A CB 1 ATOM 205 O OG1 . THR A 1 26 ? 48.515 46.467 0.579 1.00 18.31 ? 26 THR A OG1 1 ATOM 206 C CG2 . THR A 1 26 ? 50.024 47.256 -1.078 1.00 17.12 ? 26 THR A CG2 1 ATOM 207 N N . GLY A 1 27 ? 47.031 43.476 -0.632 1.00 8.72 ? 27 GLY A N 1 ATOM 208 C CA . GLY A 1 27 ? 46.733 42.224 -0.031 1.00 8.76 ? 27 GLY A CA 1 ATOM 209 C C . GLY A 1 27 ? 46.284 41.272 -1.107 1.00 15.22 ? 27 GLY A C 1 ATOM 210 O O . GLY A 1 27 ? 45.969 40.143 -0.744 1.00 18.84 ? 27 GLY A O 1 ATOM 211 N N . ALA A 1 28 ? 46.191 41.660 -2.402 1.00 14.38 ? 28 ALA A N 1 ATOM 212 C CA . ALA A 1 28 ? 45.775 40.761 -3.455 1.00 13.46 ? 28 ALA A CA 1 ATOM 213 C C . ALA A 1 28 ? 46.992 40.328 -4.192 1.00 15.85 ? 28 ALA A C 1 ATOM 214 O O . ALA A 1 28 ? 47.657 41.170 -4.732 1.00 17.14 ? 28 ALA A O 1 ATOM 215 C CB . ALA A 1 28 ? 44.920 41.400 -4.486 1.00 11.11 ? 28 ALA A CB 1 ATOM 216 N N . ASP A 1 29 ? 47.365 39.061 -4.241 1.00 20.55 ? 29 ASP A N 1 ATOM 217 C CA . ASP A 1 29 ? 48.501 38.562 -4.998 1.00 22.54 ? 29 ASP A CA 1 ATOM 218 C C . ASP A 1 29 ? 48.366 38.692 -6.527 1.00 24.32 ? 29 ASP A C 1 ATOM 219 O O . ASP A 1 29 ? 49.377 38.875 -7.225 1.00 25.48 ? 29 ASP A O 1 ATOM 220 C CB . ASP A 1 29 ? 48.765 37.080 -4.699 1.00 22.96 ? 29 ASP A CB 1 ATOM 221 C CG . ASP A 1 29 ? 48.980 36.541 -3.266 1.00 27.40 ? 29 ASP A CG 1 ATOM 222 O OD1 . ASP A 1 29 ? 49.168 37.224 -2.245 1.00 28.66 ? 29 ASP A OD1 1 ATOM 223 O OD2 . ASP A 1 29 ? 48.930 35.318 -3.167 1.00 32.34 ? 29 ASP A OD2 1 ATOM 224 N N . ASP A 1 30 ? 47.111 38.674 -7.010 1.00 24.75 ? 30 ASP A N 1 ATOM 225 C CA . ASP A 1 30 ? 46.716 38.676 -8.410 1.00 25.44 ? 30 ASP A CA 1 ATOM 226 C C . ASP A 1 30 ? 45.883 39.841 -8.837 1.00 21.75 ? 30 ASP A C 1 ATOM 227 O O . ASP A 1 30 ? 45.210 40.354 -7.984 1.00 23.29 ? 30 ASP A O 1 ATOM 228 C CB . ASP A 1 30 ? 45.867 37.514 -8.736 1.00 31.71 ? 30 ASP A CB 1 ATOM 229 C CG . ASP A 1 30 ? 46.512 36.193 -8.448 1.00 37.07 ? 30 ASP A CG 1 ATOM 230 O OD1 . ASP A 1 30 ? 47.689 36.062 -8.820 1.00 40.72 ? 30 ASP A OD1 1 ATOM 231 O OD2 . ASP A 1 30 ? 45.831 35.325 -7.874 1.00 38.73 ? 30 ASP A OD2 1 ATOM 232 N N . THR A 1 31 ? 45.760 40.150 -10.115 1.00 20.51 ? 31 THR A N 1 ATOM 233 C CA . THR A 1 31 ? 44.915 41.225 -10.624 1.00 19.78 ? 31 THR A CA 1 ATOM 234 C C . THR A 1 31 ? 43.628 40.606 -11.151 1.00 18.27 ? 31 THR A C 1 ATOM 235 O O . THR A 1 31 ? 43.744 39.623 -11.876 1.00 20.07 ? 31 THR A O 1 ATOM 236 C CB . THR A 1 31 ? 45.634 41.936 -11.737 1.00 17.29 ? 31 THR A CB 1 ATOM 237 O OG1 . THR A 1 31 ? 46.786 42.402 -11.090 1.00 18.22 ? 31 THR A OG1 1 ATOM 238 C CG2 . THR A 1 31 ? 44.908 43.097 -12.371 1.00 15.21 ? 31 THR A CG2 1 ATOM 239 N N . VAL A 1 32 ? 42.419 41.052 -10.845 1.00 14.85 ? 32 VAL A N 1 ATOM 240 C CA . VAL A 1 32 ? 41.270 40.373 -11.334 1.00 15.10 ? 32 VAL A CA 1 ATOM 241 C C . VAL A 1 32 ? 40.503 41.537 -11.790 1.00 21.57 ? 32 VAL A C 1 ATOM 242 O O . VAL A 1 32 ? 40.305 42.494 -11.064 1.00 25.14 ? 32 VAL A O 1 ATOM 243 C CB . VAL A 1 32 ? 40.450 39.711 -10.314 1.00 14.02 ? 32 VAL A CB 1 ATOM 244 C CG1 . VAL A 1 32 ? 39.725 38.592 -11.011 1.00 17.01 ? 32 VAL A CG1 1 ATOM 245 C CG2 . VAL A 1 32 ? 41.257 38.995 -9.311 1.00 16.42 ? 32 VAL A CG2 1 ATOM 246 N N . LEU A 1 33 ? 40.167 41.505 -13.056 1.00 29.89 ? 33 LEU A N 1 ATOM 247 C CA . LEU A 1 33 ? 39.440 42.554 -13.719 1.00 32.78 ? 33 LEU A CA 1 ATOM 248 C C . LEU A 1 33 ? 38.117 42.053 -14.279 1.00 33.29 ? 33 LEU A C 1 ATOM 249 O O . LEU A 1 33 ? 37.872 40.886 -14.621 1.00 33.35 ? 33 LEU A O 1 ATOM 250 C CB . LEU A 1 33 ? 40.326 43.106 -14.826 1.00 34.04 ? 33 LEU A CB 1 ATOM 251 C CG . LEU A 1 33 ? 41.512 44.014 -14.486 1.00 35.01 ? 33 LEU A CG 1 ATOM 252 C CD1 . LEU A 1 33 ? 42.346 44.295 -15.741 1.00 35.79 ? 33 LEU A CD1 1 ATOM 253 C CD2 . LEU A 1 33 ? 40.995 45.313 -13.932 1.00 33.87 ? 33 LEU A CD2 1 ATOM 254 N N . GLU A 1 34 ? 37.211 42.997 -14.303 1.00 35.65 ? 34 GLU A N 1 ATOM 255 C CA . GLU A 1 34 ? 35.920 42.747 -14.872 1.00 36.50 ? 34 GLU A CA 1 ATOM 256 C C . GLU A 1 34 ? 36.000 42.399 -16.341 1.00 34.51 ? 34 GLU A C 1 ATOM 257 O O . GLU A 1 34 ? 36.853 42.910 -17.071 1.00 36.88 ? 34 GLU A O 1 ATOM 258 C CB . GLU A 1 34 ? 35.083 43.963 -14.680 1.00 38.75 ? 34 GLU A CB 1 ATOM 259 C CG . GLU A 1 34 ? 35.525 45.248 -15.364 1.00 41.17 ? 34 GLU A CG 1 ATOM 260 C CD . GLU A 1 34 ? 34.663 46.449 -14.937 1.00 45.91 ? 34 GLU A CD 1 ATOM 261 O OE1 . GLU A 1 34 ? 33.615 46.280 -14.255 1.00 45.55 ? 34 GLU A OE1 1 ATOM 262 O OE2 . GLU A 1 34 ? 35.078 47.570 -15.282 1.00 45.32 ? 34 GLU A OE2 1 ATOM 263 N N . GLU A 1 35 ? 35.096 41.502 -16.693 1.00 32.63 ? 35 GLU A N 1 ATOM 264 C CA . GLU A 1 35 ? 34.897 40.976 -18.035 1.00 33.44 ? 35 GLU A CA 1 ATOM 265 C C . GLU A 1 35 ? 34.970 41.997 -19.147 1.00 35.90 ? 35 GLU A C 1 ATOM 266 O O . GLU A 1 35 ? 34.209 42.965 -19.222 1.00 35.44 ? 35 GLU A O 1 ATOM 267 C CB . GLU A 1 35 ? 33.540 40.271 -18.113 1.00 33.28 ? 35 GLU A CB 1 ATOM 268 C CG . GLU A 1 35 ? 33.205 39.618 -19.406 1.00 30.59 ? 35 GLU A CG 1 ATOM 269 C CD . GLU A 1 35 ? 34.226 38.547 -19.719 1.00 32.82 ? 35 GLU A CD 1 ATOM 270 O OE1 . GLU A 1 35 ? 34.091 37.444 -19.171 1.00 34.47 ? 35 GLU A OE1 1 ATOM 271 O OE2 . GLU A 1 35 ? 35.143 38.827 -20.496 1.00 29.98 ? 35 GLU A OE2 1 ATOM 272 N N . MET A 1 36 ? 35.902 41.698 -20.033 1.00 37.83 ? 36 MET A N 1 ATOM 273 C CA . MET A 1 36 ? 36.229 42.597 -21.125 1.00 41.13 ? 36 MET A CA 1 ATOM 274 C C . MET A 1 36 ? 36.875 41.681 -22.131 1.00 43.84 ? 36 MET A C 1 ATOM 275 O O . MET A 1 36 ? 37.256 40.532 -21.816 1.00 43.65 ? 36 MET A O 1 ATOM 276 C CB . MET A 1 36 ? 37.229 43.697 -20.701 1.00 40.16 ? 36 MET A CB 1 ATOM 277 C CG . MET A 1 36 ? 38.619 43.221 -20.254 1.00 41.27 ? 36 MET A CG 1 ATOM 278 S SD . MET A 1 36 ? 39.758 44.478 -19.589 1.00 44.00 ? 36 MET A SD 1 ATOM 279 C CE . MET A 1 36 ? 40.174 45.417 -21.042 1.00 39.20 ? 36 MET A CE 1 ATOM 280 N N . SER A 1 37 ? 37.009 42.158 -23.360 1.00 47.33 ? 37 SER A N 1 ATOM 281 C CA . SER A 1 37 ? 37.638 41.297 -24.332 1.00 48.07 ? 37 SER A CA 1 ATOM 282 C C . SER A 1 37 ? 38.995 41.851 -24.691 1.00 44.97 ? 37 SER A C 1 ATOM 283 O O . SER A 1 37 ? 39.271 42.990 -25.093 1.00 43.75 ? 37 SER A O 1 ATOM 284 C CB . SER A 1 37 ? 36.736 41.133 -25.583 1.00 51.51 ? 37 SER A CB 1 ATOM 285 O OG . SER A 1 37 ? 35.558 40.360 -25.274 1.00 56.70 ? 37 SER A OG 1 ATOM 286 N N . LEU A 1 38 ? 39.813 40.954 -24.194 1.00 43.27 ? 38 LEU A N 1 ATOM 287 C CA . LEU A 1 38 ? 41.219 41.024 -24.431 1.00 43.41 ? 38 LEU A CA 1 ATOM 288 C C . LEU A 1 38 ? 41.486 40.025 -25.549 1.00 46.16 ? 38 LEU A C 1 ATOM 289 O O . LEU A 1 38 ? 41.149 38.833 -25.435 1.00 46.92 ? 38 LEU A O 1 ATOM 290 C CB . LEU A 1 38 ? 42.027 40.622 -23.198 1.00 39.11 ? 38 LEU A CB 1 ATOM 291 C CG . LEU A 1 38 ? 42.112 41.585 -22.073 1.00 32.69 ? 38 LEU A CG 1 ATOM 292 C CD1 . LEU A 1 38 ? 43.032 41.050 -20.991 1.00 30.59 ? 38 LEU A CD1 1 ATOM 293 C CD2 . LEU A 1 38 ? 42.589 42.890 -22.649 1.00 30.71 ? 38 LEU A CD2 1 ATOM 294 N N . PRO A 1 39 ? 42.048 40.521 -26.667 1.00 49.16 ? 39 PRO A N 1 ATOM 295 C CA . PRO A 1 39 ? 42.734 39.737 -27.687 1.00 48.56 ? 39 PRO A CA 1 ATOM 296 C C . PRO A 1 39 ? 43.737 38.852 -27.010 1.00 48.33 ? 39 PRO A C 1 ATOM 297 O O . PRO A 1 39 ? 44.589 39.402 -26.297 1.00 49.74 ? 39 PRO A O 1 ATOM 298 C CB . PRO A 1 39 ? 43.369 40.772 -28.556 1.00 49.47 ? 39 PRO A CB 1 ATOM 299 C CG . PRO A 1 39 ? 43.599 41.931 -27.588 1.00 48.90 ? 39 PRO A CG 1 ATOM 300 C CD . PRO A 1 39 ? 42.238 41.952 -26.941 1.00 49.67 ? 39 PRO A CD 1 ATOM 301 N N . GLY A 1 40 ? 43.674 37.535 -27.151 1.00 48.19 ? 40 GLY A N 1 ATOM 302 C CA . GLY A 1 40 ? 44.704 36.743 -26.500 1.00 48.64 ? 40 GLY A CA 1 ATOM 303 C C . GLY A 1 40 ? 44.410 35.281 -26.599 1.00 49.50 ? 40 GLY A C 1 ATOM 304 O O . GLY A 1 40 ? 43.556 34.820 -27.353 1.00 51.92 ? 40 GLY A O 1 ATOM 305 N N . ARG A 1 41 ? 45.123 34.549 -25.778 1.00 51.31 ? 41 ARG A N 1 ATOM 306 C CA . ARG A 1 41 ? 45.060 33.095 -25.730 1.00 50.88 ? 41 ARG A CA 1 ATOM 307 C C . ARG A 1 41 ? 45.024 33.003 -24.217 1.00 47.25 ? 41 ARG A C 1 ATOM 308 O O . ARG A 1 41 ? 45.886 33.560 -23.518 1.00 47.97 ? 41 ARG A O 1 ATOM 309 C CB . ARG A 1 41 ? 46.345 32.517 -26.277 1.00 56.14 ? 41 ARG A CB 1 ATOM 310 C CG . ARG A 1 41 ? 46.313 31.120 -26.868 1.00 62.81 ? 41 ARG A CG 1 ATOM 311 C CD . ARG A 1 41 ? 45.576 30.110 -25.987 1.00 67.06 ? 41 ARG A CD 1 ATOM 312 N NE . ARG A 1 41 ? 46.191 29.918 -24.677 1.00 70.64 ? 41 ARG A NE 1 ATOM 313 C CZ . ARG A 1 41 ? 47.294 29.156 -24.515 1.00 71.97 ? 41 ARG A CZ 1 ATOM 314 N NH1 . ARG A 1 41 ? 47.954 28.615 -25.574 1.00 72.95 ? 41 ARG A NH1 1 ATOM 315 N NH2 . ARG A 1 41 ? 47.739 28.952 -23.258 1.00 72.91 ? 41 ARG A NH2 1 ATOM 316 N N . TRP A 1 42 ? 44.018 32.347 -23.720 1.00 41.14 ? 42 TRP A N 1 ATOM 317 C CA . TRP A 1 42 ? 43.813 32.352 -22.311 1.00 37.65 ? 42 TRP A CA 1 ATOM 318 C C . TRP A 1 42 ? 43.875 30.922 -21.839 1.00 37.82 ? 42 TRP A C 1 ATOM 319 O O . TRP A 1 42 ? 43.887 30.006 -22.670 1.00 37.62 ? 42 TRP A O 1 ATOM 320 C CB . TRP A 1 42 ? 42.463 33.063 -22.071 1.00 37.91 ? 42 TRP A CB 1 ATOM 321 C CG . TRP A 1 42 ? 41.194 32.575 -22.802 1.00 39.31 ? 42 TRP A CG 1 ATOM 322 C CD1 . TRP A 1 42 ? 40.714 33.081 -24.015 1.00 38.16 ? 42 TRP A CD1 1 ATOM 323 C CD2 . TRP A 1 42 ? 40.361 31.604 -22.312 1.00 36.59 ? 42 TRP A CD2 1 ATOM 324 N NE1 . TRP A 1 42 ? 39.594 32.417 -24.275 1.00 35.36 ? 42 TRP A NE1 1 ATOM 325 C CE2 . TRP A 1 42 ? 39.356 31.545 -23.282 1.00 34.31 ? 42 TRP A CE2 1 ATOM 326 C CE3 . TRP A 1 42 ? 40.393 30.814 -21.177 1.00 33.28 ? 42 TRP A CE3 1 ATOM 327 C CZ2 . TRP A 1 42 ? 38.340 30.669 -23.109 1.00 33.06 ? 42 TRP A CZ2 1 ATOM 328 C CZ3 . TRP A 1 42 ? 39.355 29.935 -21.015 1.00 32.72 ? 42 TRP A CZ3 1 ATOM 329 C CH2 . TRP A 1 42 ? 38.354 29.877 -21.970 1.00 34.51 ? 42 TRP A CH2 1 ATOM 330 N N . LYS A 1 43 ? 44.055 30.740 -20.539 1.00 37.88 ? 43 LYS A N 1 ATOM 331 C CA . LYS A 1 43 ? 44.000 29.437 -19.900 1.00 40.69 ? 43 LYS A CA 1 ATOM 332 C C . LYS A 1 43 ? 43.010 29.569 -18.734 1.00 44.26 ? 43 LYS A C 1 ATOM 333 O O . LYS A 1 43 ? 42.948 30.639 -18.111 1.00 47.10 ? 43 LYS A O 1 ATOM 334 C CB . LYS A 1 43 ? 45.384 28.990 -19.357 1.00 43.95 ? 43 LYS A CB 1 ATOM 335 C CG . LYS A 1 43 ? 46.571 29.891 -18.861 1.00 46.91 ? 43 LYS A CG 1 ATOM 336 C CD . LYS A 1 43 ? 47.645 30.209 -19.937 1.00 47.57 ? 43 LYS A CD 1 ATOM 337 C CE . LYS A 1 43 ? 47.390 31.569 -20.661 1.00 48.16 ? 43 LYS A CE 1 ATOM 338 N NZ . LYS A 1 43 ? 47.982 31.649 -21.999 1.00 47.05 ? 43 LYS A NZ 1 ATOM 339 N N . PRO A 1 44 ? 42.128 28.619 -18.426 1.00 44.77 ? 44 PRO A N 1 ATOM 340 C CA . PRO A 1 44 ? 41.164 28.670 -17.317 1.00 45.30 ? 44 PRO A CA 1 ATOM 341 C C . PRO A 1 44 ? 41.775 28.878 -15.954 1.00 46.04 ? 44 PRO A C 1 ATOM 342 O O . PRO A 1 44 ? 42.959 28.541 -15.794 1.00 50.75 ? 44 PRO A O 1 ATOM 343 C CB . PRO A 1 44 ? 40.460 27.374 -17.377 1.00 46.18 ? 44 PRO A CB 1 ATOM 344 C CG . PRO A 1 44 ? 40.455 27.137 -18.869 1.00 48.11 ? 44 PRO A CG 1 ATOM 345 C CD . PRO A 1 44 ? 41.872 27.482 -19.273 1.00 46.00 ? 44 PRO A CD 1 ATOM 346 N N . LYS A 1 45 ? 41.051 29.375 -14.948 1.00 43.48 ? 45 LYS A N 1 ATOM 347 C CA . LYS A 1 45 ? 41.624 29.507 -13.608 1.00 41.04 ? 45 LYS A CA 1 ATOM 348 C C . LYS A 1 45 ? 40.441 29.717 -12.652 1.00 39.20 ? 45 LYS A C 1 ATOM 349 O O . LYS A 1 45 ? 39.482 30.411 -12.975 1.00 36.91 ? 45 LYS A O 1 ATOM 350 C CB . LYS A 1 45 ? 42.583 30.699 -13.628 1.00 43.47 ? 45 LYS A CB 1 ATOM 351 C CG . LYS A 1 45 ? 43.295 30.974 -12.335 1.00 46.92 ? 45 LYS A CG 1 ATOM 352 C CD . LYS A 1 45 ? 44.659 30.306 -12.178 1.00 50.20 ? 45 LYS A CD 1 ATOM 353 C CE . LYS A 1 45 ? 45.167 30.644 -10.754 1.00 52.30 ? 45 LYS A CE 1 ATOM 354 N NZ . LYS A 1 45 ? 45.277 32.088 -10.517 1.00 54.78 ? 45 LYS A NZ 1 ATOM 355 N N . MET A 1 46 ? 40.421 29.118 -11.475 1.00 36.47 ? 46 MET A N 1 ATOM 356 C CA . MET A 1 46 ? 39.283 29.172 -10.580 1.00 36.04 ? 46 MET A CA 1 ATOM 357 C C . MET A 1 46 ? 39.770 30.125 -9.534 1.00 35.19 ? 46 MET A C 1 ATOM 358 O O . MET A 1 46 ? 40.960 30.025 -9.232 1.00 37.46 ? 46 MET A O 1 ATOM 359 C CB . MET A 1 46 ? 39.091 27.827 -9.967 1.00 41.46 ? 46 MET A CB 1 ATOM 360 C CG . MET A 1 46 ? 37.696 27.375 -9.580 1.00 45.31 ? 46 MET A CG 1 ATOM 361 S SD . MET A 1 46 ? 36.606 27.296 -11.034 1.00 50.45 ? 46 MET A SD 1 ATOM 362 C CE . MET A 1 46 ? 37.632 26.289 -12.095 1.00 48.63 ? 46 MET A CE 1 ATOM 363 N N . ILE A 1 47 ? 39.010 31.082 -8.999 1.00 33.83 ? 47 ILE A N 1 ATOM 364 C CA . ILE A 1 47 ? 39.491 31.925 -7.918 1.00 30.22 ? 47 ILE A CA 1 ATOM 365 C C . ILE A 1 47 ? 38.378 31.951 -6.911 1.00 30.50 ? 47 ILE A C 1 ATOM 366 O O . ILE A 1 47 ? 37.222 31.722 -7.235 1.00 26.61 ? 47 ILE A O 1 ATOM 367 C CB . ILE A 1 47 ? 39.826 33.397 -8.306 1.00 30.28 ? 47 ILE A CB 1 ATOM 368 C CG1 . ILE A 1 47 ? 38.638 34.213 -8.767 1.00 31.84 ? 47 ILE A CG1 1 ATOM 369 C CG2 . ILE A 1 47 ? 40.902 33.306 -9.369 1.00 28.99 ? 47 ILE A CG2 1 ATOM 370 C CD1 . ILE A 1 47 ? 39.000 35.698 -9.092 1.00 32.20 ? 47 ILE A CD1 1 ATOM 371 N N . GLY A 1 48 ? 38.746 32.145 -5.655 1.00 34.96 ? 48 GLY A N 1 ATOM 372 C CA . GLY A 1 48 ? 37.788 32.073 -4.568 1.00 39.99 ? 48 GLY A CA 1 ATOM 373 C C . GLY A 1 48 ? 37.006 33.362 -4.379 1.00 42.85 ? 48 GLY A C 1 ATOM 374 O O . GLY A 1 48 ? 37.484 34.451 -4.727 1.00 44.43 ? 48 GLY A O 1 ATOM 375 N N . GLY A 1 49 ? 35.820 33.263 -3.804 1.00 43.14 ? 49 GLY A N 1 ATOM 376 C CA . GLY A 1 49 ? 35.043 34.442 -3.513 1.00 47.57 ? 49 GLY A CA 1 ATOM 377 C C . GLY A 1 49 ? 34.054 34.137 -2.410 1.00 49.29 ? 49 GLY A C 1 ATOM 378 O O . GLY A 1 49 ? 33.893 32.984 -1.969 1.00 48.72 ? 49 GLY A O 1 ATOM 379 N N . ILE A 1 50 ? 33.428 35.208 -1.918 1.00 51.75 ? 50 ILE A N 1 ATOM 380 C CA . ILE A 1 50 ? 32.347 35.074 -0.949 1.00 54.24 ? 50 ILE A CA 1 ATOM 381 C C . ILE A 1 50 ? 31.279 34.186 -1.618 1.00 53.89 ? 50 ILE A C 1 ATOM 382 O O . ILE A 1 50 ? 30.959 34.340 -2.805 1.00 54.18 ? 50 ILE A O 1 ATOM 383 C CB . ILE A 1 50 ? 31.803 36.501 -0.582 1.00 55.81 ? 50 ILE A CB 1 ATOM 384 C CG1 . ILE A 1 50 ? 30.569 36.422 0.317 1.00 57.44 ? 50 ILE A CG1 1 ATOM 385 C CG2 . ILE A 1 50 ? 31.384 37.240 -1.856 1.00 57.03 ? 50 ILE A CG2 1 ATOM 386 C CD1 . ILE A 1 50 ? 30.747 35.885 1.744 1.00 56.54 ? 50 ILE A CD1 1 ATOM 387 N N . GLY A 1 51 ? 30.787 33.172 -0.908 1.00 52.25 ? 51 GLY A N 1 ATOM 388 C CA . GLY A 1 51 ? 29.854 32.271 -1.556 1.00 52.49 ? 51 GLY A CA 1 ATOM 389 C C . GLY A 1 51 ? 30.559 31.140 -2.323 1.00 50.86 ? 51 GLY A C 1 ATOM 390 O O . GLY A 1 51 ? 29.956 30.063 -2.419 1.00 51.11 ? 51 GLY A O 1 ATOM 391 N N . GLY A 1 52 ? 31.784 31.250 -2.874 1.00 47.86 ? 52 GLY A N 1 ATOM 392 C CA . GLY A 1 52 ? 32.385 30.105 -3.553 1.00 43.73 ? 52 GLY A CA 1 ATOM 393 C C . GLY A 1 52 ? 33.466 30.501 -4.531 1.00 41.65 ? 52 GLY A C 1 ATOM 394 O O . GLY A 1 52 ? 33.933 31.640 -4.562 1.00 42.05 ? 52 GLY A O 1 ATOM 395 N N . PHE A 1 53 ? 33.906 29.522 -5.302 1.00 41.24 ? 53 PHE A N 1 ATOM 396 C CA . PHE A 1 53 ? 34.898 29.701 -6.356 1.00 40.92 ? 53 PHE A CA 1 ATOM 397 C C . PHE A 1 53 ? 34.203 30.108 -7.645 1.00 39.64 ? 53 PHE A C 1 ATOM 398 O O . PHE A 1 53 ? 33.133 29.589 -7.980 1.00 40.87 ? 53 PHE A O 1 ATOM 399 C CB . PHE A 1 53 ? 35.644 28.399 -6.601 1.00 44.44 ? 53 PHE A CB 1 ATOM 400 C CG . PHE A 1 53 ? 36.533 28.174 -5.407 1.00 48.71 ? 53 PHE A CG 1 ATOM 401 C CD1 . PHE A 1 53 ? 35.972 27.740 -4.206 1.00 49.15 ? 53 PHE A CD1 1 ATOM 402 C CD2 . PHE A 1 53 ? 37.868 28.540 -5.497 1.00 48.98 ? 53 PHE A CD2 1 ATOM 403 C CE1 . PHE A 1 53 ? 36.756 27.694 -3.078 1.00 49.63 ? 53 PHE A CE1 1 ATOM 404 C CE2 . PHE A 1 53 ? 38.644 28.491 -4.360 1.00 50.08 ? 53 PHE A CE2 1 ATOM 405 C CZ . PHE A 1 53 ? 38.089 28.075 -3.152 1.00 50.81 ? 53 PHE A CZ 1 ATOM 406 N N . ILE A 1 54 ? 34.762 31.049 -8.378 1.00 36.45 ? 54 ILE A N 1 ATOM 407 C CA . ILE A 1 54 ? 34.222 31.428 -9.650 1.00 33.43 ? 54 ILE A CA 1 ATOM 408 C C . ILE A 1 54 ? 35.305 31.056 -10.683 1.00 35.40 ? 54 ILE A C 1 ATOM 409 O O . ILE A 1 54 ? 36.478 30.899 -10.311 1.00 37.80 ? 54 ILE A O 1 ATOM 410 C CB . ILE A 1 54 ? 33.900 32.931 -9.617 1.00 32.45 ? 54 ILE A CB 1 ATOM 411 C CG1 . ILE A 1 54 ? 35.098 33.800 -9.449 1.00 32.29 ? 54 ILE A CG1 1 ATOM 412 C CG2 . ILE A 1 54 ? 32.973 33.160 -8.444 1.00 30.83 ? 54 ILE A CG2 1 ATOM 413 C CD1 . ILE A 1 54 ? 34.699 35.235 -9.868 1.00 31.45 ? 54 ILE A CD1 1 ATOM 414 N N . LYS A 1 55 ? 35.007 30.778 -11.955 1.00 33.96 ? 55 LYS A N 1 ATOM 415 C CA . LYS A 1 55 ? 36.012 30.468 -12.945 1.00 30.62 ? 55 LYS A CA 1 ATOM 416 C C . LYS A 1 55 ? 36.373 31.793 -13.590 1.00 28.95 ? 55 LYS A C 1 ATOM 417 O O . LYS A 1 55 ? 35.468 32.593 -13.803 1.00 29.95 ? 55 LYS A O 1 ATOM 418 C CB . LYS A 1 55 ? 35.487 29.614 -14.028 1.00 31.70 ? 55 LYS A CB 1 ATOM 419 C CG . LYS A 1 55 ? 34.963 28.238 -13.793 1.00 33.67 ? 55 LYS A CG 1 ATOM 420 C CD . LYS A 1 55 ? 34.820 27.788 -15.256 1.00 36.13 ? 55 LYS A CD 1 ATOM 421 C CE . LYS A 1 55 ? 35.602 26.542 -15.696 1.00 36.94 ? 55 LYS A CE 1 ATOM 422 N NZ . LYS A 1 55 ? 35.045 25.358 -15.059 1.00 39.85 ? 55 LYS A NZ 1 ATOM 423 N N . VAL A 1 56 ? 37.600 32.100 -13.942 1.00 27.94 ? 56 VAL A N 1 ATOM 424 C CA . VAL A 1 56 ? 37.951 33.331 -14.627 1.00 27.74 ? 56 VAL A CA 1 ATOM 425 C C . VAL A 1 56 ? 38.891 32.879 -15.739 1.00 28.46 ? 56 VAL A C 1 ATOM 426 O O . VAL A 1 56 ? 39.221 31.687 -15.835 1.00 29.88 ? 56 VAL A O 1 ATOM 427 C CB . VAL A 1 56 ? 38.697 34.397 -13.723 1.00 27.61 ? 56 VAL A CB 1 ATOM 428 C CG1 . VAL A 1 56 ? 37.728 35.069 -12.765 1.00 26.28 ? 56 VAL A CG1 1 ATOM 429 C CG2 . VAL A 1 56 ? 39.768 33.753 -12.883 1.00 28.39 ? 56 VAL A CG2 1 ATOM 430 N N . ARG A 1 57 ? 39.322 33.792 -16.611 1.00 28.83 ? 57 ARG A N 1 ATOM 431 C CA . ARG A 1 57 ? 40.195 33.474 -17.711 1.00 26.88 ? 57 ARG A CA 1 ATOM 432 C C . ARG A 1 57 ? 41.528 34.165 -17.486 1.00 26.69 ? 57 ARG A C 1 ATOM 433 O O . ARG A 1 57 ? 41.551 35.373 -17.324 1.00 26.27 ? 57 ARG A O 1 ATOM 434 C CB . ARG A 1 57 ? 39.658 33.974 -19.037 1.00 25.29 ? 57 ARG A CB 1 ATOM 435 C CG . ARG A 1 57 ? 38.276 33.514 -19.437 1.00 25.20 ? 57 ARG A CG 1 ATOM 436 C CD . ARG A 1 57 ? 37.974 33.937 -20.895 1.00 24.55 ? 57 ARG A CD 1 ATOM 437 N NE . ARG A 1 57 ? 38.222 35.341 -21.119 1.00 24.77 ? 57 ARG A NE 1 ATOM 438 C CZ . ARG A 1 57 ? 37.316 36.312 -20.934 1.00 24.97 ? 57 ARG A CZ 1 ATOM 439 N NH1 . ARG A 1 57 ? 36.154 36.091 -20.350 1.00 24.04 ? 57 ARG A NH1 1 ATOM 440 N NH2 . ARG A 1 57 ? 37.629 37.571 -21.223 1.00 24.38 ? 57 ARG A NH2 1 ATOM 441 N N . GLN A 1 58 ? 42.655 33.455 -17.512 1.00 25.89 ? 58 GLN A N 1 ATOM 442 C CA . GLN A 1 58 ? 43.958 34.040 -17.315 1.00 26.05 ? 58 GLN A CA 1 ATOM 443 C C . GLN A 1 58 ? 44.728 34.503 -18.566 1.00 26.10 ? 58 GLN A C 1 ATOM 444 O O . GLN A 1 58 ? 45.175 33.690 -19.362 1.00 27.61 ? 58 GLN A O 1 ATOM 445 C CB . GLN A 1 58 ? 44.736 33.022 -16.530 1.00 23.35 ? 58 GLN A CB 1 ATOM 446 C CG . GLN A 1 58 ? 46.084 33.593 -16.245 1.00 25.01 ? 58 GLN A CG 1 ATOM 447 C CD . GLN A 1 58 ? 47.012 32.637 -15.550 1.00 27.97 ? 58 GLN A CD 1 ATOM 448 O OE1 . GLN A 1 58 ? 48.162 32.650 -15.914 1.00 30.53 ? 58 GLN A OE1 1 ATOM 449 N NE2 . GLN A 1 58 ? 46.740 31.798 -14.554 1.00 29.62 ? 58 GLN A NE2 1 ATOM 450 N N . TYR A 1 59 ? 44.929 35.789 -18.756 1.00 26.73 ? 59 TYR A N 1 ATOM 451 C CA . TYR A 1 59 ? 45.679 36.355 -19.847 1.00 29.17 ? 59 TYR A CA 1 ATOM 452 C C . TYR A 1 59 ? 47.095 36.678 -19.342 1.00 30.84 ? 59 TYR A C 1 ATOM 453 O O . TYR A 1 59 ? 47.235 37.538 -18.458 1.00 32.57 ? 59 TYR A O 1 ATOM 454 C CB . TYR A 1 59 ? 45.010 37.648 -20.321 1.00 33.56 ? 59 TYR A CB 1 ATOM 455 C CG . TYR A 1 59 ? 43.647 37.415 -20.912 1.00 38.93 ? 59 TYR A CG 1 ATOM 456 C CD1 . TYR A 1 59 ? 42.562 37.109 -20.105 1.00 41.74 ? 59 TYR A CD1 1 ATOM 457 C CD2 . TYR A 1 59 ? 43.550 37.329 -22.281 1.00 41.78 ? 59 TYR A CD2 1 ATOM 458 C CE1 . TYR A 1 59 ? 41.389 36.675 -20.677 1.00 42.67 ? 59 TYR A CE1 1 ATOM 459 C CE2 . TYR A 1 59 ? 42.380 36.895 -22.860 1.00 42.91 ? 59 TYR A CE2 1 ATOM 460 C CZ . TYR A 1 59 ? 41.329 36.558 -22.048 1.00 42.49 ? 59 TYR A CZ 1 ATOM 461 O OH . TYR A 1 59 ? 40.260 35.941 -22.626 1.00 43.96 ? 59 TYR A OH 1 ATOM 462 N N . ASP A 1 60 ? 48.184 36.031 -19.776 1.00 30.42 ? 60 ASP A N 1 ATOM 463 C CA . ASP A 1 60 ? 49.549 36.399 -19.405 1.00 27.75 ? 60 ASP A CA 1 ATOM 464 C C . ASP A 1 60 ? 50.108 37.474 -20.304 1.00 25.12 ? 60 ASP A C 1 ATOM 465 O O . ASP A 1 60 ? 49.522 37.775 -21.328 1.00 27.25 ? 60 ASP A O 1 ATOM 466 C CB . ASP A 1 60 ? 50.439 35.217 -19.493 1.00 30.74 ? 60 ASP A CB 1 ATOM 467 C CG . ASP A 1 60 ? 49.994 34.137 -18.530 1.00 34.96 ? 60 ASP A CG 1 ATOM 468 O OD1 . ASP A 1 60 ? 49.630 34.497 -17.424 1.00 37.27 ? 60 ASP A OD1 1 ATOM 469 O OD2 . ASP A 1 60 ? 50.008 32.940 -18.865 1.00 38.61 ? 60 ASP A OD2 1 ATOM 470 N N . GLN A 1 61 ? 51.196 38.096 -19.959 1.00 21.44 ? 61 GLN A N 1 ATOM 471 C CA . GLN A 1 61 ? 51.715 39.205 -20.715 1.00 26.68 ? 61 GLN A CA 1 ATOM 472 C C . GLN A 1 61 ? 50.852 40.418 -21.077 1.00 26.89 ? 61 GLN A C 1 ATOM 473 O O . GLN A 1 61 ? 51.262 41.211 -21.938 1.00 28.28 ? 61 GLN A O 1 ATOM 474 C CB . GLN A 1 61 ? 52.305 38.696 -22.005 1.00 30.44 ? 61 GLN A CB 1 ATOM 475 C CG . GLN A 1 61 ? 53.703 39.210 -22.241 1.00 30.85 ? 61 GLN A CG 1 ATOM 476 C CD . GLN A 1 61 ? 54.673 38.394 -21.457 1.00 35.11 ? 61 GLN A CD 1 ATOM 477 O OE1 . GLN A 1 61 ? 55.869 38.607 -21.590 1.00 41.78 ? 61 GLN A OE1 1 ATOM 478 N NE2 . GLN A 1 61 ? 54.292 37.402 -20.652 1.00 34.31 ? 61 GLN A NE2 1 ATOM 479 N N . ILE A 1 62 ? 49.717 40.719 -20.460 1.00 27.32 ? 62 ILE A N 1 ATOM 480 C CA . ILE A 1 62 ? 48.974 41.895 -20.905 1.00 28.35 ? 62 ILE A CA 1 ATOM 481 C C . ILE A 1 62 ? 49.698 43.185 -20.424 1.00 28.46 ? 62 ILE A C 1 ATOM 482 O O . ILE A 1 62 ? 50.371 43.201 -19.372 1.00 27.21 ? 62 ILE A O 1 ATOM 483 C CB . ILE A 1 62 ? 47.536 41.830 -20.358 1.00 26.96 ? 62 ILE A CB 1 ATOM 484 C CG1 . ILE A 1 62 ? 46.892 40.531 -20.679 1.00 28.44 ? 62 ILE A CG1 1 ATOM 485 C CG2 . ILE A 1 62 ? 46.683 42.864 -21.044 1.00 29.85 ? 62 ILE A CG2 1 ATOM 486 C CD1 . ILE A 1 62 ? 46.904 40.091 -22.141 1.00 32.39 ? 62 ILE A CD1 1 ATOM 487 N N . LEU A 1 63 ? 49.632 44.217 -21.278 1.00 28.20 ? 63 LEU A N 1 ATOM 488 C CA . LEU A 1 63 ? 50.169 45.531 -20.985 1.00 31.02 ? 63 LEU A CA 1 ATOM 489 C C . LEU A 1 63 ? 48.941 46.170 -20.399 1.00 32.98 ? 63 LEU A C 1 ATOM 490 O O . LEU A 1 63 ? 47.831 45.927 -20.901 1.00 35.79 ? 63 LEU A O 1 ATOM 491 C CB . LEU A 1 63 ? 50.568 46.397 -22.202 1.00 31.06 ? 63 LEU A CB 1 ATOM 492 C CG . LEU A 1 63 ? 50.865 47.908 -21.907 1.00 34.30 ? 63 LEU A CG 1 ATOM 493 C CD1 . LEU A 1 63 ? 52.119 48.002 -21.061 1.00 35.28 ? 63 LEU A CD1 1 ATOM 494 C CD2 . LEU A 1 63 ? 51.097 48.728 -23.171 1.00 35.65 ? 63 LEU A CD2 1 ATOM 495 N N . ILE A 1 64 ? 49.176 46.948 -19.344 1.00 32.61 ? 64 ILE A N 1 ATOM 496 C CA . ILE A 1 64 ? 48.156 47.683 -18.627 1.00 31.95 ? 64 ILE A CA 1 ATOM 497 C C . ILE A 1 64 ? 48.856 48.969 -18.245 1.00 30.98 ? 64 ILE A C 1 ATOM 498 O O . ILE A 1 64 ? 50.092 48.992 -18.233 1.00 29.46 ? 64 ILE A O 1 ATOM 499 C CB . ILE A 1 64 ? 47.700 46.804 -17.421 1.00 34.70 ? 64 ILE A CB 1 ATOM 500 C CG1 . ILE A 1 64 ? 46.898 47.649 -16.454 1.00 36.68 ? 64 ILE A CG1 1 ATOM 501 C CG2 . ILE A 1 64 ? 48.881 46.190 -16.713 1.00 36.13 ? 64 ILE A CG2 1 ATOM 502 C CD1 . ILE A 1 64 ? 46.089 46.836 -15.427 1.00 39.22 ? 64 ILE A CD1 1 ATOM 503 N N . GLU A 1 65 ? 48.148 50.064 -17.980 1.00 32.44 ? 65 GLU A N 1 ATOM 504 C CA . GLU A 1 65 ? 48.817 51.312 -17.679 1.00 35.74 ? 65 GLU A CA 1 ATOM 505 C C . GLU A 1 65 ? 48.175 51.955 -16.467 1.00 36.06 ? 65 GLU A C 1 ATOM 506 O O . GLU A 1 65 ? 47.183 52.676 -16.588 1.00 36.45 ? 65 GLU A O 1 ATOM 507 C CB . GLU A 1 65 ? 48.702 52.163 -18.896 1.00 39.98 ? 65 GLU A CB 1 ATOM 508 C CG . GLU A 1 65 ? 49.624 53.334 -19.072 1.00 48.07 ? 65 GLU A CG 1 ATOM 509 C CD . GLU A 1 65 ? 49.358 54.002 -20.433 1.00 54.82 ? 65 GLU A CD 1 ATOM 510 O OE1 . GLU A 1 65 ? 49.795 53.441 -21.466 1.00 56.24 ? 65 GLU A OE1 1 ATOM 511 O OE2 . GLU A 1 65 ? 48.687 55.063 -20.451 1.00 57.16 ? 65 GLU A OE2 1 ATOM 512 N N . ILE A 1 66 ? 48.766 51.704 -15.290 1.00 36.43 ? 66 ILE A N 1 ATOM 513 C CA . ILE A 1 66 ? 48.259 52.150 -13.988 1.00 35.28 ? 66 ILE A CA 1 ATOM 514 C C . ILE A 1 66 ? 48.912 53.489 -13.720 1.00 37.89 ? 66 ILE A C 1 ATOM 515 O O . ILE A 1 66 ? 50.141 53.654 -13.810 1.00 35.00 ? 66 ILE A O 1 ATOM 516 C CB . ILE A 1 66 ? 48.634 51.238 -12.762 1.00 32.17 ? 66 ILE A CB 1 ATOM 517 C CG1 . ILE A 1 66 ? 48.268 49.768 -12.934 1.00 30.76 ? 66 ILE A CG1 1 ATOM 518 C CG2 . ILE A 1 66 ? 47.871 51.774 -11.579 1.00 28.01 ? 66 ILE A CG2 1 ATOM 519 C CD1 . ILE A 1 66 ? 49.408 48.892 -13.484 1.00 29.25 ? 66 ILE A CD1 1 ATOM 520 N N . CYS A 1 67 ? 48.013 54.432 -13.406 1.00 42.45 ? 67 CYS A N 1 ATOM 521 C CA . CYS A 1 67 ? 48.343 55.819 -13.081 1.00 44.44 ? 67 CYS A CA 1 ATOM 522 C C . CYS A 1 67 ? 49.598 56.333 -13.757 1.00 45.06 ? 67 CYS A C 1 ATOM 523 O O . CYS A 1 67 ? 50.661 56.675 -13.204 1.00 44.49 ? 67 CYS A O 1 ATOM 524 C CB . CYS A 1 67 ? 48.461 55.967 -11.584 1.00 45.25 ? 67 CYS A CB 1 ATOM 525 S SG . CYS A 1 67 ? 47.322 57.330 -11.277 1.00 52.35 ? 67 CYS A SG 1 ATOM 526 N N . GLY A 1 68 ? 49.326 56.188 -15.062 1.00 46.03 ? 68 GLY A N 1 ATOM 527 C CA . GLY A 1 68 ? 50.240 56.475 -16.154 1.00 45.45 ? 68 GLY A CA 1 ATOM 528 C C . GLY A 1 68 ? 51.497 55.647 -16.037 1.00 43.66 ? 68 GLY A C 1 ATOM 529 O O . GLY A 1 68 ? 52.556 56.242 -16.121 1.00 48.68 ? 68 GLY A O 1 ATOM 530 N N . HIS A 1 69 ? 51.556 54.360 -15.741 1.00 41.20 ? 69 HIS A N 1 ATOM 531 C CA . HIS A 1 69 ? 52.828 53.643 -15.720 1.00 40.20 ? 69 HIS A CA 1 ATOM 532 C C . HIS A 1 69 ? 52.486 52.310 -16.399 1.00 40.53 ? 69 HIS A C 1 ATOM 533 O O . HIS A 1 69 ? 51.509 51.610 -16.084 1.00 40.87 ? 69 HIS A O 1 ATOM 534 C CB . HIS A 1 69 ? 53.322 53.418 -14.288 1.00 36.88 ? 69 HIS A CB 1 ATOM 535 C CG . HIS A 1 69 ? 53.752 54.658 -13.488 1.00 36.31 ? 69 HIS A CG 1 ATOM 536 N ND1 . HIS A 1 69 ? 53.100 55.808 -13.281 1.00 33.48 ? 69 HIS A ND1 1 ATOM 537 C CD2 . HIS A 1 69 ? 54.929 54.735 -12.737 1.00 35.55 ? 69 HIS A CD2 1 ATOM 538 C CE1 . HIS A 1 69 ? 53.809 56.539 -12.443 1.00 34.30 ? 69 HIS A CE1 1 ATOM 539 N NE2 . HIS A 1 69 ? 54.923 55.898 -12.114 1.00 33.15 ? 69 HIS A NE2 1 ATOM 540 N N . LYS A 1 70 ? 53.226 52.066 -17.475 1.00 39.85 ? 70 LYS A N 1 ATOM 541 C CA . LYS A 1 70 ? 53.041 50.890 -18.295 1.00 40.48 ? 70 LYS A CA 1 ATOM 542 C C . LYS A 1 70 ? 53.522 49.711 -17.500 1.00 39.87 ? 70 LYS A C 1 ATOM 543 O O . LYS A 1 70 ? 54.560 49.791 -16.854 1.00 42.19 ? 70 LYS A O 1 ATOM 544 C CB . LYS A 1 70 ? 53.856 50.999 -19.526 1.00 43.17 ? 70 LYS A CB 1 ATOM 545 C CG . LYS A 1 70 ? 53.384 52.141 -20.366 1.00 45.39 ? 70 LYS A CG 1 ATOM 546 C CD . LYS A 1 70 ? 54.273 52.069 -21.576 1.00 49.67 ? 70 LYS A CD 1 ATOM 547 C CE . LYS A 1 70 ? 53.745 53.100 -22.551 1.00 53.21 ? 70 LYS A CE 1 ATOM 548 N NZ . LYS A 1 70 ? 52.397 52.736 -23.006 1.00 56.20 ? 70 LYS A NZ 1 ATOM 549 N N . ALA A 1 71 ? 52.847 48.603 -17.541 1.00 37.70 ? 71 ALA A N 1 ATOM 550 C CA . ALA A 1 71 ? 53.222 47.514 -16.704 1.00 37.00 ? 71 ALA A CA 1 ATOM 551 C C . ALA A 1 71 ? 52.849 46.269 -17.522 1.00 38.32 ? 71 ALA A C 1 ATOM 552 O O . ALA A 1 71 ? 51.854 46.295 -18.274 1.00 41.72 ? 71 ALA A O 1 ATOM 553 C CB . ALA A 1 71 ? 52.395 47.721 -15.450 1.00 35.93 ? 71 ALA A CB 1 ATOM 554 N N . ILE A 1 72 ? 53.600 45.172 -17.481 1.00 33.33 ? 72 ILE A N 1 ATOM 555 C CA . ILE A 1 72 ? 53.255 44.000 -18.230 1.00 28.66 ? 72 ILE A CA 1 ATOM 556 C C . ILE A 1 72 ? 53.060 42.998 -17.137 1.00 26.52 ? 72 ILE A C 1 ATOM 557 O O . ILE A 1 72 ? 53.941 42.808 -16.293 1.00 24.42 ? 72 ILE A O 1 ATOM 558 C CB . ILE A 1 72 ? 54.418 43.594 -19.187 1.00 29.79 ? 72 ILE A CB 1 ATOM 559 C CG1 . ILE A 1 72 ? 54.164 44.225 -20.532 1.00 31.61 ? 72 ILE A CG1 1 ATOM 560 C CG2 . ILE A 1 72 ? 54.487 42.117 -19.465 1.00 29.24 ? 72 ILE A CG2 1 ATOM 561 C CD1 . ILE A 1 72 ? 54.486 45.714 -20.592 1.00 31.75 ? 72 ILE A CD1 1 ATOM 562 N N . GLY A 1 73 ? 51.899 42.364 -17.148 1.00 24.00 ? 73 GLY A N 1 ATOM 563 C CA . GLY A 1 73 ? 51.697 41.280 -16.224 1.00 22.09 ? 73 GLY A CA 1 ATOM 564 C C . GLY A 1 73 ? 50.466 40.508 -16.614 1.00 23.25 ? 73 GLY A C 1 ATOM 565 O O . GLY A 1 73 ? 49.769 40.837 -17.575 1.00 24.32 ? 73 GLY A O 1 ATOM 566 N N . THR A 1 74 ? 50.218 39.458 -15.877 1.00 21.04 ? 74 THR A N 1 ATOM 567 C CA . THR A 1 74 ? 49.054 38.652 -16.082 1.00 23.11 ? 74 THR A CA 1 ATOM 568 C C . THR A 1 74 ? 47.845 39.349 -15.469 1.00 26.12 ? 74 THR A C 1 ATOM 569 O O . THR A 1 74 ? 47.962 39.894 -14.360 1.00 26.43 ? 74 THR A O 1 ATOM 570 C CB . THR A 1 74 ? 49.271 37.335 -15.397 1.00 22.08 ? 74 THR A CB 1 ATOM 571 O OG1 . THR A 1 74 ? 50.494 36.877 -15.919 1.00 23.55 ? 74 THR A OG1 1 ATOM 572 C CG2 . THR A 1 74 ? 48.131 36.362 -15.545 1.00 20.84 ? 74 THR A CG2 1 ATOM 573 N N . VAL A 1 75 ? 46.686 39.308 -16.114 1.00 26.15 ? 75 VAL A N 1 ATOM 574 C CA . VAL A 1 75 ? 45.485 39.767 -15.462 1.00 27.03 ? 75 VAL A CA 1 ATOM 575 C C . VAL A 1 75 ? 44.532 38.586 -15.525 1.00 27.95 ? 75 VAL A C 1 ATOM 576 O O . VAL A 1 75 ? 44.615 37.788 -16.470 1.00 28.55 ? 75 VAL A O 1 ATOM 577 C CB . VAL A 1 75 ? 44.889 40.942 -16.188 1.00 28.94 ? 75 VAL A CB 1 ATOM 578 C CG1 . VAL A 1 75 ? 45.879 42.088 -16.276 1.00 28.24 ? 75 VAL A CG1 1 ATOM 579 C CG2 . VAL A 1 75 ? 44.533 40.507 -17.593 1.00 32.57 ? 75 VAL A CG2 1 ATOM 580 N N . LEU A 1 76 ? 43.698 38.388 -14.515 1.00 25.08 ? 76 LEU A N 1 ATOM 581 C CA . LEU A 1 76 ? 42.659 37.379 -14.574 1.00 24.93 ? 76 LEU A CA 1 ATOM 582 C C . LEU A 1 76 ? 41.361 38.128 -15.011 1.00 24.85 ? 76 LEU A C 1 ATOM 583 O O . LEU A 1 76 ? 41.078 39.182 -14.457 1.00 25.60 ? 76 LEU A O 1 ATOM 584 C CB . LEU A 1 76 ? 42.525 36.733 -13.188 1.00 23.92 ? 76 LEU A CB 1 ATOM 585 C CG . LEU A 1 76 ? 43.683 35.899 -12.640 1.00 23.52 ? 76 LEU A CG 1 ATOM 586 C CD1 . LEU A 1 76 ? 43.349 35.331 -11.297 1.00 21.29 ? 76 LEU A CD1 1 ATOM 587 C CD2 . LEU A 1 76 ? 43.860 34.645 -13.449 1.00 23.77 ? 76 LEU A CD2 1 ATOM 588 N N . VAL A 1 77 ? 40.526 37.780 -16.002 1.00 22.03 ? 77 VAL A N 1 ATOM 589 C CA . VAL A 1 77 ? 39.347 38.530 -16.381 1.00 18.76 ? 77 VAL A CA 1 ATOM 590 C C . VAL A 1 77 ? 38.164 37.707 -15.922 1.00 20.01 ? 77 VAL A C 1 ATOM 591 O O . VAL A 1 77 ? 38.164 36.477 -16.069 1.00 23.07 ? 77 VAL A O 1 ATOM 592 C CB . VAL A 1 77 ? 39.463 38.699 -17.845 1.00 15.14 ? 77 VAL A CB 1 ATOM 593 C CG1 . VAL A 1 77 ? 38.342 39.450 -18.447 1.00 14.43 ? 77 VAL A CG1 1 ATOM 594 C CG2 . VAL A 1 77 ? 40.626 39.603 -18.064 1.00 16.89 ? 77 VAL A CG2 1 ATOM 595 N N . GLY A 1 78 ? 37.125 38.252 -15.315 1.00 21.07 ? 78 GLY A N 1 ATOM 596 C CA . GLY A 1 78 ? 36.102 37.372 -14.768 1.00 22.24 ? 78 GLY A CA 1 ATOM 597 C C . GLY A 1 78 ? 35.020 38.159 -14.077 1.00 23.95 ? 78 GLY A C 1 ATOM 598 O O . GLY A 1 78 ? 35.142 39.386 -13.976 1.00 24.34 ? 78 GLY A O 1 ATOM 599 N N . PRO A 1 79 ? 33.905 37.567 -13.627 1.00 26.67 ? 79 PRO A N 1 ATOM 600 C CA . PRO A 1 79 ? 32.810 38.262 -12.975 1.00 25.97 ? 79 PRO A CA 1 ATOM 601 C C . PRO A 1 79 ? 33.234 38.541 -11.571 1.00 27.54 ? 79 PRO A C 1 ATOM 602 O O . PRO A 1 79 ? 32.891 37.789 -10.667 1.00 29.83 ? 79 PRO A O 1 ATOM 603 C CB . PRO A 1 79 ? 31.663 37.322 -13.064 1.00 24.99 ? 79 PRO A CB 1 ATOM 604 C CG . PRO A 1 79 ? 32.313 35.969 -12.891 1.00 26.76 ? 79 PRO A CG 1 ATOM 605 C CD . PRO A 1 79 ? 33.587 36.135 -13.730 1.00 26.35 ? 79 PRO A CD 1 ATOM 606 N N . THR A 1 80 ? 34.062 39.561 -11.430 1.00 29.92 ? 80 THR A N 1 ATOM 607 C CA . THR A 1 80 ? 34.467 40.006 -10.125 1.00 31.28 ? 80 THR A CA 1 ATOM 608 C C . THR A 1 80 ? 33.642 41.253 -9.841 1.00 30.69 ? 80 THR A C 1 ATOM 609 O O . THR A 1 80 ? 33.395 42.054 -10.755 1.00 30.74 ? 80 THR A O 1 ATOM 610 C CB . THR A 1 80 ? 35.977 40.286 -10.140 1.00 31.14 ? 80 THR A CB 1 ATOM 611 O OG1 . THR A 1 80 ? 36.230 40.774 -8.827 1.00 34.31 ? 80 THR A OG1 1 ATOM 612 C CG2 . THR A 1 80 ? 36.467 41.253 -11.192 1.00 31.36 ? 80 THR A CG2 1 ATOM 613 N N . PRO A 1 81 ? 33.159 41.451 -8.593 1.00 30.86 ? 81 PRO A N 1 ATOM 614 C CA . PRO A 1 81 ? 32.448 42.646 -8.163 1.00 28.82 ? 81 PRO A CA 1 ATOM 615 C C . PRO A 1 81 ? 33.351 43.823 -8.186 1.00 30.29 ? 81 PRO A C 1 ATOM 616 O O . PRO A 1 81 ? 32.801 44.903 -8.345 1.00 32.67 ? 81 PRO A O 1 ATOM 617 C CB . PRO A 1 81 ? 31.971 42.389 -6.802 1.00 27.93 ? 81 PRO A CB 1 ATOM 618 C CG . PRO A 1 81 ? 33.002 41.426 -6.300 1.00 29.66 ? 81 PRO A CG 1 ATOM 619 C CD . PRO A 1 81 ? 33.232 40.499 -7.488 1.00 30.62 ? 81 PRO A CD 1 ATOM 620 N N . VAL A 1 82 ? 34.682 43.645 -8.034 1.00 31.05 ? 82 VAL A N 1 ATOM 621 C CA . VAL A 1 82 ? 35.612 44.765 -8.065 1.00 28.83 ? 82 VAL A CA 1 ATOM 622 C C . VAL A 1 82 ? 36.922 44.465 -8.756 1.00 27.75 ? 82 VAL A C 1 ATOM 623 O O . VAL A 1 82 ? 37.484 43.389 -8.603 1.00 26.34 ? 82 VAL A O 1 ATOM 624 C CB . VAL A 1 82 ? 35.859 45.223 -6.623 1.00 28.09 ? 82 VAL A CB 1 ATOM 625 C CG1 . VAL A 1 82 ? 36.469 44.125 -5.817 1.00 30.14 ? 82 VAL A CG1 1 ATOM 626 C CG2 . VAL A 1 82 ? 36.794 46.404 -6.621 1.00 30.27 ? 82 VAL A CG2 1 ATOM 627 N N . ASN A 1 83 ? 37.370 45.461 -9.526 1.00 29.18 ? 83 ASN A N 1 ATOM 628 C CA . ASN A 1 83 ? 38.639 45.443 -10.272 1.00 28.94 ? 83 ASN A CA 1 ATOM 629 C C . ASN A 1 83 ? 39.782 45.629 -9.295 1.00 24.99 ? 83 ASN A C 1 ATOM 630 O O . ASN A 1 83 ? 39.862 46.671 -8.670 1.00 26.66 ? 83 ASN A O 1 ATOM 631 C CB . ASN A 1 83 ? 38.785 46.588 -11.293 1.00 28.89 ? 83 ASN A CB 1 ATOM 632 C CG . ASN A 1 83 ? 37.785 46.604 -12.432 1.00 29.60 ? 83 ASN A CG 1 ATOM 633 O OD1 . ASN A 1 83 ? 37.458 45.583 -13.040 1.00 29.95 ? 83 ASN A OD1 1 ATOM 634 N ND2 . ASN A 1 83 ? 37.264 47.778 -12.774 1.00 30.09 ? 83 ASN A ND2 1 ATOM 635 N N . ILE A 1 84 ? 40.685 44.694 -9.155 1.00 22.23 ? 84 ILE A N 1 ATOM 636 C CA . ILE A 1 84 ? 41.739 44.698 -8.177 1.00 20.90 ? 84 ILE A CA 1 ATOM 637 C C . ILE A 1 84 ? 43.066 44.739 -8.887 1.00 21.88 ? 84 ILE A C 1 ATOM 638 O O . ILE A 1 84 ? 43.198 43.944 -9.813 1.00 25.76 ? 84 ILE A O 1 ATOM 639 C CB . ILE A 1 84 ? 41.477 43.418 -7.398 1.00 19.27 ? 84 ILE A CB 1 ATOM 640 C CG1 . ILE A 1 84 ? 40.447 43.766 -6.384 1.00 18.31 ? 84 ILE A CG1 1 ATOM 641 C CG2 . ILE A 1 84 ? 42.696 42.817 -6.806 1.00 16.40 ? 84 ILE A CG2 1 ATOM 642 C CD1 . ILE A 1 84 ? 39.778 42.470 -6.030 1.00 18.77 ? 84 ILE A CD1 1 ATOM 643 N N . ILE A 1 85 ? 44.027 45.615 -8.535 1.00 22.05 ? 85 ILE A N 1 ATOM 644 C CA . ILE A 1 85 ? 45.407 45.630 -9.031 1.00 17.90 ? 85 ILE A CA 1 ATOM 645 C C . ILE A 1 85 ? 46.128 45.068 -7.810 1.00 19.90 ? 85 ILE A C 1 ATOM 646 O O . ILE A 1 85 ? 46.132 45.662 -6.732 1.00 19.24 ? 85 ILE A O 1 ATOM 647 C CB . ILE A 1 85 ? 45.872 47.069 -9.335 1.00 16.12 ? 85 ILE A CB 1 ATOM 648 C CG1 . ILE A 1 85 ? 45.151 47.643 -10.522 1.00 16.64 ? 85 ILE A CG1 1 ATOM 649 C CG2 . ILE A 1 85 ? 47.325 47.079 -9.650 1.00 17.17 ? 85 ILE A CG2 1 ATOM 650 C CD1 . ILE A 1 85 ? 44.934 46.662 -11.685 1.00 17.42 ? 85 ILE A CD1 1 ATOM 651 N N . GLY A 1 86 ? 46.606 43.844 -7.938 1.00 20.91 ? 86 GLY A N 1 ATOM 652 C CA . GLY A 1 86 ? 47.282 43.168 -6.872 1.00 18.81 ? 86 GLY A CA 1 ATOM 653 C C . GLY A 1 86 ? 48.785 43.253 -6.955 1.00 18.11 ? 86 GLY A C 1 ATOM 654 O O . GLY A 1 86 ? 49.353 43.927 -7.796 1.00 20.08 ? 86 GLY A O 1 ATOM 655 N N . ARG A 1 87 ? 49.526 42.527 -6.146 1.00 19.68 ? 87 ARG A N 1 ATOM 656 C CA . ARG A 1 87 ? 50.954 42.682 -6.044 1.00 22.16 ? 87 ARG A CA 1 ATOM 657 C C . ARG A 1 87 ? 51.669 42.270 -7.296 1.00 23.54 ? 87 ARG A C 1 ATOM 658 O O . ARG A 1 87 ? 52.629 42.954 -7.653 1.00 27.17 ? 87 ARG A O 1 ATOM 659 C CB . ARG A 1 87 ? 51.492 41.882 -4.870 1.00 22.58 ? 87 ARG A CB 1 ATOM 660 C CG . ARG A 1 87 ? 51.364 42.411 -3.416 1.00 20.02 ? 87 ARG A CG 1 ATOM 661 C CD . ARG A 1 87 ? 51.431 41.230 -2.453 1.00 20.70 ? 87 ARG A CD 1 ATOM 662 N NE . ARG A 1 87 ? 52.592 40.493 -2.890 1.00 24.27 ? 87 ARG A NE 1 ATOM 663 C CZ . ARG A 1 87 ? 52.571 39.173 -3.039 1.00 25.80 ? 87 ARG A CZ 1 ATOM 664 N NH1 . ARG A 1 87 ? 51.557 38.418 -2.631 1.00 23.87 ? 87 ARG A NH1 1 ATOM 665 N NH2 . ARG A 1 87 ? 53.639 38.592 -3.572 1.00 29.00 ? 87 ARG A NH2 1 ATOM 666 N N . ASN A 1 88 ? 51.244 41.252 -8.025 1.00 22.12 ? 88 ASN A N 1 ATOM 667 C CA . ASN A 1 88 ? 51.888 40.981 -9.300 1.00 20.95 ? 88 ASN A CA 1 ATOM 668 C C . ASN A 1 88 ? 52.044 42.208 -10.180 1.00 20.95 ? 88 ASN A C 1 ATOM 669 O O . ASN A 1 88 ? 53.042 42.222 -10.877 1.00 29.02 ? 88 ASN A O 1 ATOM 670 C CB . ASN A 1 88 ? 51.152 39.960 -10.153 1.00 19.19 ? 88 ASN A CB 1 ATOM 671 C CG . ASN A 1 88 ? 49.936 40.458 -10.896 1.00 19.97 ? 88 ASN A CG 1 ATOM 672 O OD1 . ASN A 1 88 ? 49.022 41.040 -10.334 1.00 21.79 ? 88 ASN A OD1 1 ATOM 673 N ND2 . ASN A 1 88 ? 49.817 40.245 -12.178 1.00 21.89 ? 88 ASN A ND2 1 ATOM 674 N N . LEU A 1 89 ? 51.232 43.269 -10.188 1.00 19.00 ? 89 LEU A N 1 ATOM 675 C CA . LEU A 1 89 ? 51.485 44.433 -11.016 1.00 16.67 ? 89 LEU A CA 1 ATOM 676 C C . LEU A 1 89 ? 51.927 45.584 -10.153 1.00 20.27 ? 89 LEU A C 1 ATOM 677 O O . LEU A 1 89 ? 52.550 46.498 -10.721 1.00 21.78 ? 89 LEU A O 1 ATOM 678 C CB . LEU A 1 89 ? 50.280 44.935 -11.753 1.00 16.26 ? 89 LEU A CB 1 ATOM 679 C CG . LEU A 1 89 ? 49.820 44.346 -13.061 1.00 17.65 ? 89 LEU A CG 1 ATOM 680 C CD1 . LEU A 1 89 ? 50.334 42.999 -13.310 1.00 13.72 ? 89 LEU A CD1 1 ATOM 681 C CD2 . LEU A 1 89 ? 48.348 44.177 -12.972 1.00 14.15 ? 89 LEU A CD2 1 ATOM 682 N N . LEU A 1 90 ? 51.700 45.624 -8.814 1.00 20.37 ? 90 LEU A N 1 ATOM 683 C CA . LEU A 1 90 ? 52.110 46.793 -8.029 1.00 19.58 ? 90 LEU A CA 1 ATOM 684 C C . LEU A 1 90 ? 53.621 46.880 -8.070 1.00 19.01 ? 90 LEU A C 1 ATOM 685 O O . LEU A 1 90 ? 54.183 47.940 -8.264 1.00 21.38 ? 90 LEU A O 1 ATOM 686 C CB . LEU A 1 90 ? 51.522 46.655 -6.601 1.00 17.94 ? 90 LEU A CB 1 ATOM 687 C CG . LEU A 1 90 ? 49.992 46.986 -6.521 1.00 17.38 ? 90 LEU A CG 1 ATOM 688 C CD1 . LEU A 1 90 ? 49.358 46.747 -5.161 1.00 13.95 ? 90 LEU A CD1 1 ATOM 689 C CD2 . LEU A 1 90 ? 49.835 48.442 -6.773 1.00 17.30 ? 90 LEU A CD2 1 ATOM 690 N N . THR A 1 91 ? 54.302 45.756 -7.985 1.00 19.65 ? 91 THR A N 1 ATOM 691 C CA . THR A 1 91 ? 55.719 45.544 -8.243 1.00 17.45 ? 91 THR A CA 1 ATOM 692 C C . THR A 1 91 ? 56.340 46.269 -9.450 1.00 19.06 ? 91 THR A C 1 ATOM 693 O O . THR A 1 91 ? 57.270 47.044 -9.376 1.00 21.41 ? 91 THR A O 1 ATOM 694 C CB . THR A 1 91 ? 55.698 44.078 -8.305 1.00 16.72 ? 91 THR A CB 1 ATOM 695 O OG1 . THR A 1 91 ? 55.678 43.640 -6.960 1.00 18.35 ? 91 THR A OG1 1 ATOM 696 C CG2 . THR A 1 91 ? 56.765 43.537 -9.110 1.00 19.54 ? 91 THR A CG2 1 ATOM 697 N N . GLN A 1 92 ? 55.756 46.119 -10.609 1.00 21.27 ? 92 GLN A N 1 ATOM 698 C CA . GLN A 1 92 ? 56.232 46.651 -11.858 1.00 20.97 ? 92 GLN A CA 1 ATOM 699 C C . GLN A 1 92 ? 56.182 48.160 -11.890 1.00 24.65 ? 92 GLN A C 1 ATOM 700 O O . GLN A 1 92 ? 57.097 48.824 -12.407 1.00 25.07 ? 92 GLN A O 1 ATOM 701 C CB . GLN A 1 92 ? 55.371 46.042 -12.948 1.00 20.36 ? 92 GLN A CB 1 ATOM 702 C CG . GLN A 1 92 ? 55.470 44.510 -12.878 1.00 22.05 ? 92 GLN A CG 1 ATOM 703 C CD . GLN A 1 92 ? 56.823 43.994 -13.317 1.00 20.82 ? 92 GLN A CD 1 ATOM 704 O OE1 . GLN A 1 92 ? 57.359 44.491 -14.289 1.00 23.82 ? 92 GLN A OE1 1 ATOM 705 N NE2 . GLN A 1 92 ? 57.453 43.020 -12.712 1.00 19.35 ? 92 GLN A NE2 1 ATOM 706 N N . ILE A 1 93 ? 55.097 48.725 -11.334 1.00 26.18 ? 93 ILE A N 1 ATOM 707 C CA . ILE A 1 93 ? 55.001 50.180 -11.313 1.00 23.58 ? 93 ILE A CA 1 ATOM 708 C C . ILE A 1 93 ? 55.877 50.738 -10.185 1.00 25.20 ? 93 ILE A C 1 ATOM 709 O O . ILE A 1 93 ? 56.062 51.954 -10.120 1.00 26.86 ? 93 ILE A O 1 ATOM 710 C CB . ILE A 1 93 ? 53.509 50.654 -11.162 1.00 22.03 ? 93 ILE A CB 1 ATOM 711 C CG1 . ILE A 1 93 ? 52.767 50.152 -9.946 1.00 19.71 ? 93 ILE A CG1 1 ATOM 712 C CG2 . ILE A 1 93 ? 52.831 50.176 -12.420 1.00 21.76 ? 93 ILE A CG2 1 ATOM 713 C CD1 . ILE A 1 93 ? 51.346 50.649 -9.893 1.00 17.74 ? 93 ILE A CD1 1 ATOM 714 N N . GLY A 1 94 ? 56.481 49.908 -9.321 1.00 25.08 ? 94 GLY A N 1 ATOM 715 C CA . GLY A 1 94 ? 57.347 50.391 -8.267 1.00 27.50 ? 94 GLY A CA 1 ATOM 716 C C . GLY A 1 94 ? 56.581 50.826 -7.021 1.00 31.49 ? 94 GLY A C 1 ATOM 717 O O . GLY A 1 94 ? 57.015 51.717 -6.280 1.00 37.88 ? 94 GLY A O 1 ATOM 718 N N . CYS A 1 95 ? 55.436 50.234 -6.687 1.00 30.11 ? 95 CYS A N 1 ATOM 719 C CA . CYS A 1 95 ? 54.716 50.613 -5.473 1.00 27.44 ? 95 CYS A CA 1 ATOM 720 C C . CYS A 1 95 ? 55.480 50.187 -4.250 1.00 28.09 ? 95 CYS A C 1 ATOM 721 O O . CYS A 1 95 ? 56.080 49.088 -4.211 1.00 29.17 ? 95 CYS A O 1 ATOM 722 C CB . CYS A 1 95 ? 53.406 49.930 -5.351 1.00 28.45 ? 95 CYS A CB 1 ATOM 723 S SG . CYS A 1 95 ? 52.095 51.119 -5.127 1.00 26.13 ? 95 CYS A SG 1 ATOM 724 N N . THR A 1 96 ? 55.439 51.068 -3.265 1.00 25.53 ? 96 THR A N 1 ATOM 725 C CA . THR A 1 96 ? 55.903 50.713 -1.945 1.00 24.82 ? 96 THR A CA 1 ATOM 726 C C . THR A 1 96 ? 54.875 51.163 -0.898 1.00 25.75 ? 96 THR A C 1 ATOM 727 O O . THR A 1 96 ? 54.017 52.019 -1.197 1.00 25.65 ? 96 THR A O 1 ATOM 728 C CB . THR A 1 96 ? 57.257 51.368 -1.703 1.00 25.50 ? 96 THR A CB 1 ATOM 729 O OG1 . THR A 1 96 ? 57.234 52.688 -2.253 1.00 29.44 ? 96 THR A OG1 1 ATOM 730 C CG2 . THR A 1 96 ? 58.353 50.530 -2.281 1.00 26.19 ? 96 THR A CG2 1 ATOM 731 N N . LEU A 1 97 ? 54.840 50.543 0.282 1.00 24.36 ? 97 LEU A N 1 ATOM 732 C CA . LEU A 1 97 ? 54.052 51.039 1.392 1.00 24.24 ? 97 LEU A CA 1 ATOM 733 C C . LEU A 1 97 ? 55.071 51.775 2.238 1.00 23.77 ? 97 LEU A C 1 ATOM 734 O O . LEU A 1 97 ? 56.187 51.341 2.511 1.00 16.34 ? 97 LEU A O 1 ATOM 735 C CB . LEU A 1 97 ? 53.417 49.899 2.169 1.00 26.39 ? 97 LEU A CB 1 ATOM 736 C CG . LEU A 1 97 ? 52.222 49.121 1.577 1.00 26.50 ? 97 LEU A CG 1 ATOM 737 C CD1 . LEU A 1 97 ? 52.131 47.738 2.222 1.00 27.12 ? 97 LEU A CD1 1 ATOM 738 C CD2 . LEU A 1 97 ? 50.938 49.890 1.818 1.00 26.32 ? 97 LEU A CD2 1 ATOM 739 N N . ASN A 1 98 ? 54.709 52.975 2.618 1.00 27.93 ? 98 ASN A N 1 ATOM 740 C CA . ASN A 1 98 ? 55.612 53.860 3.315 1.00 28.65 ? 98 ASN A CA 1 ATOM 741 C C . ASN A 1 98 ? 54.963 54.500 4.507 1.00 28.98 ? 98 ASN A C 1 ATOM 742 O O . ASN A 1 98 ? 53.869 55.078 4.352 1.00 32.28 ? 98 ASN A O 1 ATOM 743 C CB . ASN A 1 98 ? 56.039 54.934 2.386 1.00 32.43 ? 98 ASN A CB 1 ATOM 744 C CG . ASN A 1 98 ? 56.972 54.451 1.305 1.00 36.47 ? 98 ASN A CG 1 ATOM 745 O OD1 . ASN A 1 98 ? 58.188 54.419 1.464 1.00 39.74 ? 98 ASN A OD1 1 ATOM 746 N ND2 . ASN A 1 98 ? 56.447 54.033 0.164 1.00 39.07 ? 98 ASN A ND2 1 ATOM 747 N N . PHE A 1 99 ? 55.613 54.393 5.658 1.00 29.40 ? 99 PHE A N 1 ATOM 748 C CA . PHE A 1 99 ? 55.232 55.089 6.899 1.00 33.20 ? 99 PHE A CA 1 ATOM 749 C C . PHE A 1 99 ? 56.437 55.175 7.844 1.00 36.13 ? 99 PHE A C 1 ATOM 750 O O . PHE A 1 99 ? 57.487 54.635 7.494 1.00 40.14 ? 99 PHE A O 1 ATOM 751 C CB . PHE A 1 99 ? 54.112 54.384 7.645 1.00 30.74 ? 99 PHE A CB 1 ATOM 752 C CG . PHE A 1 99 ? 54.412 52.971 8.056 1.00 30.41 ? 99 PHE A CG 1 ATOM 753 C CD1 . PHE A 1 99 ? 54.272 51.950 7.139 1.00 31.67 ? 99 PHE A CD1 1 ATOM 754 C CD2 . PHE A 1 99 ? 54.808 52.714 9.330 1.00 29.01 ? 99 PHE A CD2 1 ATOM 755 C CE1 . PHE A 1 99 ? 54.532 50.652 7.504 1.00 30.12 ? 99 PHE A CE1 1 ATOM 756 C CE2 . PHE A 1 99 ? 55.060 51.415 9.685 1.00 29.33 ? 99 PHE A CE2 1 ATOM 757 C CZ . PHE A 1 99 ? 54.925 50.386 8.786 1.00 29.59 ? 99 PHE A CZ 1 ATOM 758 O OXT . PHE A 1 99 ? 56.356 55.723 8.949 1.00 40.86 ? 99 PHE A OXT 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 PRO 1 1 1 PRO PRO A . n A 1 2 GLN 2 2 2 GLN GLN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 LEU 5 5 5 LEU LEU A . n A 1 6 TRP 6 6 6 TRP TRP A . n A 1 7 GLN 7 7 7 GLN GLN A . n A 1 8 ARG 8 8 8 ARG ARG A . n A 1 9 PRO 9 9 9 PRO PRO A . n A 1 10 LEU 10 10 10 LEU LEU A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 ILE 13 13 13 ILE ILE A . n A 1 14 LYS 14 14 14 LYS LYS A . n A 1 15 ILE 15 15 15 ILE ILE A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 GLY 17 17 17 GLY GLY A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 ALA 22 22 22 ALA ALA A . n A 1 23 LEU 23 23 23 LEU LEU A . n A 1 24 LEU 24 24 24 LEU LEU A . n A 1 25 ASP 25 25 25 ASP ASP A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 ASP 29 29 29 ASP ASP A . n A 1 30 ASP 30 30 30 ASP ASP A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 VAL 32 32 32 VAL VAL A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 GLU 34 34 34 GLU GLU A . n A 1 35 GLU 35 35 35 GLU GLU A . n A 1 36 MET 36 36 36 MET MET A . n A 1 37 SER 37 37 37 SER SER A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 GLY 40 40 40 GLY GLY A . n A 1 41 ARG 41 41 41 ARG ARG A . n A 1 42 TRP 42 42 42 TRP TRP A . n A 1 43 LYS 43 43 43 LYS LYS A . n A 1 44 PRO 44 44 44 PRO PRO A . n A 1 45 LYS 45 45 45 LYS LYS A . n A 1 46 MET 46 46 46 MET MET A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 GLY 48 48 48 GLY GLY A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 ILE 50 50 50 ILE ILE A . n A 1 51 GLY 51 51 51 GLY GLY A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ILE 54 54 54 ILE ILE A . n A 1 55 LYS 55 55 55 LYS LYS A . n A 1 56 VAL 56 56 56 VAL VAL A . n A 1 57 ARG 57 57 57 ARG ARG A . n A 1 58 GLN 58 58 58 GLN GLN A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 ASP 60 60 60 ASP ASP A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 ILE 62 62 62 ILE ILE A . n A 1 63 LEU 63 63 63 LEU LEU A . n A 1 64 ILE 64 64 64 ILE ILE A . n A 1 65 GLU 65 65 65 GLU GLU A . n A 1 66 ILE 66 66 66 ILE ILE A . n A 1 67 CYS 67 67 67 CYS CYS A . n A 1 68 GLY 68 68 68 GLY GLY A . n A 1 69 HIS 69 69 69 HIS HIS A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 ALA 71 71 71 ALA ALA A . n A 1 72 ILE 72 72 72 ILE ILE A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 VAL 77 77 77 VAL VAL A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 PRO 79 79 79 PRO PRO A . n A 1 80 THR 80 80 80 THR THR A . n A 1 81 PRO 81 81 81 PRO PRO A . n A 1 82 VAL 82 82 82 VAL VAL A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 ILE 84 84 84 ILE ILE A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 GLY 86 86 86 GLY GLY A . n A 1 87 ARG 87 87 87 ARG ARG A . n A 1 88 ASN 88 88 88 ASN ASN A . n A 1 89 LEU 89 89 89 LEU LEU A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 GLN 92 92 92 GLN GLN A . n A 1 93 ILE 93 93 93 ILE ILE A . n A 1 94 GLY 94 94 94 GLY GLY A . n A 1 95 CYS 95 95 95 CYS CYS A . n A 1 96 THR 96 96 96 THR THR A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 ASN 98 98 98 ASN ASN A . n A 1 99 PHE 99 99 99 PHE PHE A . n # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA,PQS _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 3190 ? 1 MORE -16 ? 1 'SSA (A^2)' 9860 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 1992-10-15 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Derived calculations' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal X-PLOR 'model building' . ? 1 X-PLOR refinement . ? 2 X-PLOR phasing . ? 3 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CD1 A TRP 6 ? ? CG A TRP 6 ? ? CD2 A TRP 6 ? ? 112.73 106.30 6.43 0.80 N 2 1 CE2 A TRP 6 ? ? CD2 A TRP 6 ? ? CG A TRP 6 ? ? 101.49 107.30 -5.81 0.80 N 3 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH1 A ARG 8 ? ? 125.62 120.30 5.32 0.50 N 4 1 CB A ASP 29 ? ? CG A ASP 29 ? ? OD1 A ASP 29 ? ? 126.23 118.30 7.93 0.90 N 5 1 CA A SER 37 ? ? C A SER 37 ? ? N A LEU 38 ? ? 102.68 117.20 -14.52 2.20 Y 6 1 CA A LYS 43 ? ? CB A LYS 43 ? ? CG A LYS 43 ? ? 128.25 113.40 14.85 2.20 N 7 1 CA A CYS 67 ? ? CB A CYS 67 ? ? SG A CYS 67 ? ? 101.17 114.00 -12.83 1.80 N 8 1 CA A CYS 67 ? ? C A CYS 67 ? ? N A GLY 68 ? ? 103.27 116.20 -12.93 2.00 Y 9 1 N A THR 91 ? ? CA A THR 91 ? ? CB A THR 91 ? ? 97.99 110.30 -12.31 1.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLN A 61 ? ? 52.45 18.24 2 1 CYS A 67 ? ? 29.41 58.90 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id TYR _pdbx_validate_planes.auth_asym_id A _pdbx_validate_planes.auth_seq_id 59 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.105 _pdbx_validate_planes.type 'SIDE CHAIN' # If you find results from this site helpful for your research, please cite one of our papers:
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