data_5IDL # _entry.id 5IDL # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.285 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5IDL WWPDB D_1000218632 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5IDL _pdbx_database_status.recvd_initial_deposition_date 2016-02-24 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Julien, J.P.' 1 'Ereno-Orbea, J.' 2 'Jardine, J.G.' 3 'Schief, W.R.' 4 'Wilson, I.A.' 5 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Science _citation.journal_id_ASTM SCIEAS _citation.journal_id_CSD 0038 _citation.journal_id_ISSN 1095-9203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 351 _citation.language ? _citation.page_first 1458 _citation.page_last 1463 _citation.title 'HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1126/science.aad9195 _citation.pdbx_database_id_PubMed 27013733 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jardine, J.G.' 1 primary 'Kulp, D.W.' 2 primary 'Havenar-Daughton, C.' 3 primary 'Sarkar, A.' 4 primary 'Briney, B.' 5 primary 'Sok, D.' 6 primary 'Sesterhenn, F.' 7 primary 'Ereno-Orbea, J.' 8 primary 'Kalyuzhniy, O.' 9 primary 'Deresa, I.' 10 primary 'Hu, X.' 11 primary 'Spencer, S.' 12 primary 'Jones, M.' 13 primary 'Georgeson, E.' 14 primary 'Adachi, Y.' 15 primary 'Kubitz, M.' 16 primary 'deCamp, A.C.' 17 primary 'Julien, J.P.' 18 primary 'Wilson, I.A.' 19 primary 'Burton, D.R.' 20 primary 'Crotty, S.' 21 primary 'Schief, W.R.' 22 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 90.000 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 5IDL _cell.details ? _cell.formula_units_Z ? _cell.length_a 34.330 _cell.length_a_esd ? _cell.length_b 53.060 _cell.length_b_esd ? _cell.length_c 77.990 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5IDL _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8' 19731.150 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _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 ;DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDW RDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCAS TQLFASTWFASTGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDW RDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCAS TQLFASTWFASTGTKHHHHHH ; _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 ASP n 1 2 THR n 1 3 ILE n 1 4 THR n 1 5 LEU n 1 6 PRO n 1 7 CYS n 1 8 ARG n 1 9 PRO n 1 10 ALA n 1 11 PRO n 1 12 PRO n 1 13 PRO n 1 14 HIS n 1 15 CYS n 1 16 SER n 1 17 SER n 1 18 ASN n 1 19 ILE n 1 20 THR n 1 21 GLY n 1 22 LEU n 1 23 ILE n 1 24 LEU n 1 25 THR n 1 26 ARG n 1 27 GLN n 1 28 GLY n 1 29 GLY n 1 30 TYR n 1 31 SER n 1 32 ASN n 1 33 ALA n 1 34 ASN n 1 35 THR n 1 36 VAL n 1 37 ILE n 1 38 PHE n 1 39 ARG n 1 40 PRO n 1 41 SER n 1 42 GLY n 1 43 GLY n 1 44 ASP n 1 45 TRP n 1 46 ARG n 1 47 ASP n 1 48 ILE n 1 49 ALA n 1 50 ARG n 1 51 CYS n 1 52 GLN n 1 53 ILE n 1 54 ALA n 1 55 GLY n 1 56 THR n 1 57 VAL n 1 58 VAL n 1 59 SER n 1 60 THR n 1 61 GLN n 1 62 LEU n 1 63 PHE n 1 64 LEU n 1 65 ASN n 1 66 GLY n 1 67 SER n 1 68 LEU n 1 69 ALA n 1 70 GLU n 1 71 GLU n 1 72 GLU n 1 73 VAL n 1 74 VAL n 1 75 ILE n 1 76 ARG n 1 77 SER n 1 78 GLU n 1 79 ASP n 1 80 TRP n 1 81 ARG n 1 82 ASP n 1 83 ASN n 1 84 ALA n 1 85 LYS n 1 86 SER n 1 87 ILE n 1 88 CYS n 1 89 VAL n 1 90 GLN n 1 91 LEU n 1 92 ALA n 1 93 THR n 1 94 SER n 1 95 VAL n 1 96 GLU n 1 97 ILE n 1 98 ALA n 1 99 CYS n 1 100 THR n 1 101 GLY n 1 102 ALA n 1 103 GLY n 1 104 HIS n 1 105 CYS n 1 106 ALA n 1 107 ILE n 1 108 SER n 1 109 ARG n 1 110 ALA n 1 111 LYS n 1 112 TRP n 1 113 ALA n 1 114 ASN n 1 115 THR n 1 116 LEU n 1 117 LYS n 1 118 GLN n 1 119 ILE n 1 120 ALA n 1 121 SER n 1 122 LYS n 1 123 LEU n 1 124 ARG n 1 125 GLU n 1 126 GLN n 1 127 TYR n 1 128 GLY n 1 129 ALA n 1 130 LYS n 1 131 THR n 1 132 ILE n 1 133 ILE n 1 134 PHE n 1 135 LYS n 1 136 PRO n 1 137 SER n 1 138 SER n 1 139 GLY n 1 140 GLY n 1 141 ASP n 1 142 PRO n 1 143 GLU n 1 144 PHE n 1 145 VAL n 1 146 ASN n 1 147 HIS n 1 148 SER n 1 149 PHE n 1 150 ASN n 1 151 CYS n 1 152 GLY n 1 153 GLY n 1 154 GLU n 1 155 PHE n 1 156 PHE n 1 157 TYR n 1 158 CYS n 1 159 ALA n 1 160 SER n 1 161 THR n 1 162 GLN n 1 163 LEU n 1 164 PHE n 1 165 ALA n 1 166 SER n 1 167 THR n 1 168 TRP n 1 169 PHE n 1 170 ALA n 1 171 SER n 1 172 THR n 1 173 GLY n 1 174 THR n 1 175 LYS n 1 176 HIS n 1 177 HIS n 1 178 HIS n 1 179 HIS n 1 180 HIS n 1 181 HIS 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 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 181 _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _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 1' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11676 _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 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _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 PDB _struct_ref.db_code 5IDL _struct_ref.pdbx_db_accession 5IDL _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5IDL _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 181 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 5IDL _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 181 _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 181 # 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5IDL _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 1.80 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 31.67 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '2% (v/v) PEG 400, 2M ammonium sulfate, 0.1M HEPES pH 7.5' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-05-14 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97945 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRL BEAMLINE BL11-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97945 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL11-1 _diffrn_source.pdbx_synchrotron_site SSRL # _reflns.B_iso_Wilson_estimate 62.610 _reflns.entry_id 5IDL _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.840 _reflns.d_resolution_low 40.0 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 3333 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I -3.000 _reflns.percent_possible_obs 99.400 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 5.8 _reflns.pdbx_Rmerge_I_obs 0.131 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 6.930 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.994 _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 2.840 2.920 ? 1.400 ? ? ? ? ? 98.900 ? ? ? ? 0.779 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1 1 ? ? 2.920 3.000 ? 1.790 ? ? ? ? ? 99.800 ? ? ? ? 0.564 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 ? ? 3.000 3.080 ? 2.020 ? ? ? ? ? 99.300 ? ? ? ? 0.581 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 ? ? 3.080 3.180 ? 2.450 ? ? ? ? ? 100.000 ? ? ? ? 0.457 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 4 1 ? ? 3.180 3.280 ? 3.430 ? ? ? ? ? 99.800 ? ? ? ? 0.296 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 5 1 ? ? 3.280 3.400 ? 3.330 ? ? ? ? ? 98.800 ? ? ? ? 0.294 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 6 1 ? ? 3.400 3.530 ? 4.020 ? ? ? ? ? 99.200 ? ? ? ? 0.249 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 7 1 ? ? 3.530 3.670 ? 5.510 ? ? ? ? ? 100.000 ? ? ? ? 0.194 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 8 1 ? ? 3.670 3.830 ? 6.520 ? ? ? ? ? 99.700 ? ? ? ? 0.167 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 9 1 ? ? 3.830 4.020 ? 7.480 ? ? ? ? ? 98.300 ? ? ? ? 0.126 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 10 1 ? ? 4.020 4.240 ? 9.310 ? ? ? ? ? 98.800 ? ? ? ? 0.110 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 11 1 ? ? 4.240 4.500 ? 10.280 ? ? ? ? ? 100.000 ? ? ? ? 0.100 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 12 1 ? ? 4.500 4.810 ? 12.620 ? ? ? ? ? 99.700 ? ? ? ? 0.077 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 13 1 ? ? 4.810 5.190 ? 13.840 ? ? ? ? ? 100.000 ? ? ? ? 0.071 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 14 1 ? ? 5.190 5.690 ? 12.300 ? ? ? ? ? 100.000 ? ? ? ? 0.076 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 15 1 ? ? 5.690 6.360 ? 11.410 ? ? ? ? ? 99.100 ? ? ? ? 0.087 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 16 1 ? ? 6.360 7.340 ? 11.000 ? ? ? ? ? 100.000 ? ? ? ? 0.086 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 17 1 ? ? 7.340 8.990 ? 18.180 ? ? ? ? ? 99.400 ? ? ? ? 0.046 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 18 1 ? ? 8.990 12.710 ? 22.380 ? ? ? ? ? 99.300 ? ? ? ? 0.048 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 19 1 ? ? 12.710 ? ? 24.590 ? ? ? ? ? 95.700 ? ? ? ? 0.033 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 20 1 ? ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max 94.090 _refine.B_iso_mean 52.3497 _refine.B_iso_min 33.990 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5IDL _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.9000 _refine.ls_d_res_low 31.4220 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 3332 _refine.ls_number_reflns_R_free 243 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 96.6 _refine.ls_percent_reflns_R_free 10.0200 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2575 _refine.ls_R_factor_R_free 0.2971 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2531 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 4JPJ _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 28.9600 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.3300 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 2.9000 _refine_hist.d_res_low 31.4220 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 1245 _refine_hist.pdbx_number_residues_total 162 _refine_hist.pdbx_B_iso_mean_ligand 58.83 _refine_hist.pdbx_number_atoms_protein 1217 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.002 ? 1278 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.455 ? 1745 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.042 ? 206 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.003 ? 220 ? f_plane_restr ? ? 'X-RAY DIFFRACTION' ? 13.888 ? 756 ? f_dihedral_angle_d ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.9004 3.6533 . . 157 1413 95.0000 . . . 0.3498 . . . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6533 . . . 177 1585 99.0000 . . . 0.2762 . 0.2357 . . . . . . . . . . # _struct.entry_id 5IDL _struct.title 'Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8' _struct.pdbx_descriptor 'Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5IDL _struct_keywords.text 'HIV Env, germline-targeting immunogen, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 PRO A 12 ? SER A 16 ? PRO A 12 SER A 16 5 ? 5 HELX_P HELX_P2 AA2 ASP A 44 ? ARG A 50 ? ASP A 44 ARG A 50 1 ? 7 HELX_P HELX_P3 AA3 ARG A 109 ? GLY A 128 ? ARG A 109 GLY A 128 1 ? 20 HELX_P HELX_P4 AA4 PRO A 142 ? ASN A 146 ? PRO A 142 ASN A 146 1 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 7 A CYS 158 1_555 ? ? ? ? ? ? ? 2.032 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 151 SG ? ? A CYS 15 A CYS 151 1_555 ? ? ? ? ? ? ? 2.030 ? disulf3 disulf ? ? A CYS 51 SG ? ? ? 1_555 A CYS 88 SG ? ? A CYS 51 A CYS 88 1_555 ? ? ? ? ? ? ? 2.031 ? disulf4 disulf ? ? A CYS 99 SG ? ? ? 1_555 A CYS 105 SG ? ? A CYS 99 A CYS 105 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale one ? A ASN 18 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 18 A NAG 201 1_555 ? ? ? ? ? ? ? 1.439 ? covale2 covale one ? A ASN 65 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 65 A NAG 202 1_555 ? ? ? ? ? ? ? 1.441 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ARG _struct_mon_prot_cis.label_seq_id 8 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ARG _struct_mon_prot_cis.auth_seq_id 8 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 9 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 9 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -2.09 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 7 ? AA2 ? 6 ? # 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? parallel AA2 5 6 ? 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 AA1 1 LEU A 62 ? LEU A 64 ? LEU A 62 LEU A 64 AA1 2 SER A 17 ? ARG A 26 ? SER A 17 ARG A 26 AA1 3 ILE A 87 ? CYS A 99 ? ILE A 87 CYS A 99 AA1 4 HIS A 104 ? SER A 108 ? HIS A 104 SER A 108 AA1 5 THR A 2 ? ARG A 8 ? THR A 2 ARG A 8 AA1 6 GLU A 154 ? CYS A 158 ? GLU A 154 CYS A 158 AA1 7 HIS A 147 ? CYS A 151 ? HIS A 147 CYS A 151 AA2 1 VAL A 74 ? ARG A 76 ? VAL A 74 ARG A 76 AA2 2 ILE A 87 ? CYS A 99 ? ILE A 87 CYS A 99 AA2 3 SER A 17 ? ARG A 26 ? SER A 17 ARG A 26 AA2 4 THR A 35 ? PRO A 40 ? THR A 35 PRO A 40 AA2 5 THR A 131 ? PHE A 134 ? THR A 131 PHE A 134 AA2 6 SER A 166 ? TRP A 168 ? SER A 166 TRP A 168 # 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 AA1 1 2 O PHE A 63 ? O PHE A 63 N GLY A 21 ? N GLY A 21 AA1 2 3 N ILE A 19 ? N ILE A 19 O VAL A 95 ? O VAL A 95 AA1 3 4 N ALA A 98 ? N ALA A 98 O ALA A 106 ? O ALA A 106 AA1 4 5 O ILE A 107 ? O ILE A 107 N ILE A 3 ? N ILE A 3 AA1 5 6 N ARG A 8 ? N ARG A 8 O TYR A 157 ? O TYR A 157 AA1 6 7 O GLU A 154 ? O GLU A 154 N CYS A 151 ? N CYS A 151 AA2 1 2 N VAL A 74 ? N VAL A 74 O GLN A 90 ? O GLN A 90 AA2 2 3 O VAL A 95 ? O VAL A 95 N ILE A 19 ? N ILE A 19 AA2 3 4 N THR A 25 ? N THR A 25 O ARG A 39 ? O ARG A 39 AA2 4 5 N PHE A 38 ? N PHE A 38 O ILE A 133 ? O ILE A 133 AA2 5 6 N ILE A 132 ? N ILE A 132 O TRP A 168 ? O TRP A 168 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A NAG 201 ? 3 'binding site for Mono-Saccharide NAG A 201 bound to ASN A 18' AC2 Software A NAG 202 ? 12 'binding site for Mono-Saccharide NAG A 202 bound to ASN A 65' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 ASN A 18 ? ASN A 18 . ? 1_555 ? 2 AC1 3 LYS A 85 ? LYS A 85 . ? 1_455 ? 3 AC1 3 SER A 94 ? SER A 94 . ? 1_555 ? 4 AC2 12 HIS A 14 ? HIS A 14 . ? 1_555 ? 5 AC2 12 SER A 16 ? SER A 16 . ? 1_555 ? 6 AC2 12 SER A 17 ? SER A 17 . ? 1_555 ? 7 AC2 12 VAL A 57 ? VAL A 57 . ? 1_555 ? 8 AC2 12 ASN A 65 ? ASN A 65 . ? 1_555 ? 9 AC2 12 PHE A 134 ? PHE A 134 . ? 3_544 ? 10 AC2 12 LYS A 135 ? LYS A 135 . ? 3_544 ? 11 AC2 12 PRO A 136 ? PRO A 136 . ? 3_544 ? 12 AC2 12 CYS A 151 ? CYS A 151 . ? 1_555 ? 13 AC2 12 ALA A 165 ? ALA A 165 . ? 3_544 ? 14 AC2 12 SER A 166 ? SER A 166 . ? 3_544 ? 15 AC2 12 THR A 167 ? THR A 167 . ? 3_544 ? # _atom_sites.entry_id 5IDL _atom_sites.fract_transf_matrix[1][1] 0.029129 _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] 0.018847 _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] 0.012822 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # 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 . ASP A 1 1 ? -10.422 7.637 -16.579 1.00 56.44 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -11.387 6.546 -16.529 1.00 60.22 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -10.911 5.378 -17.372 1.00 59.55 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -11.050 4.218 -16.983 1.00 58.91 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -12.761 7.020 -17.006 1.00 81.20 ? 1 ASP A CB 1 ATOM 6 N N . THR A 1 2 ? -10.345 5.692 -18.534 1.00 58.99 ? 2 THR A N 1 ATOM 7 C CA . THR A 1 2 ? -9.817 4.666 -19.419 1.00 53.41 ? 2 THR A CA 1 ATOM 8 C C . THR A 1 2 ? -8.511 5.155 -20.026 1.00 52.19 ? 2 THR A C 1 ATOM 9 O O . THR A 1 2 ? -8.402 6.318 -20.427 1.00 56.72 ? 2 THR A O 1 ATOM 10 C CB . THR A 1 2 ? -10.827 4.307 -20.516 1.00 59.71 ? 2 THR A CB 1 ATOM 11 O OG1 . THR A 1 2 ? -11.307 5.500 -21.148 1.00 67.77 ? 2 THR A OG1 1 ATOM 12 C CG2 . THR A 1 2 ? -12.012 3.549 -19.927 1.00 61.38 ? 2 THR A CG2 1 ATOM 13 N N . ILE A 1 3 ? -7.519 4.271 -20.053 1.00 48.49 ? 3 ILE A N 1 ATOM 14 C CA . ILE A 1 3 ? -6.245 4.520 -20.713 1.00 45.10 ? 3 ILE A CA 1 ATOM 15 C C . ILE A 1 3 ? -6.270 3.796 -22.050 1.00 45.95 ? 3 ILE A C 1 ATOM 16 O O . ILE A 1 3 ? -6.547 2.592 -22.106 1.00 46.27 ? 3 ILE A O 1 ATOM 17 C CB . ILE A 1 3 ? -5.064 4.050 -19.847 1.00 43.60 ? 3 ILE A CB 1 ATOM 18 C CG1 . ILE A 1 3 ? -5.199 4.593 -18.424 1.00 46.50 ? 3 ILE A CG1 1 ATOM 19 C CG2 . ILE A 1 3 ? -3.746 4.494 -20.458 1.00 44.24 ? 3 ILE A CG2 1 ATOM 20 C CD1 . ILE A 1 3 ? -4.059 4.202 -17.508 1.00 42.10 ? 3 ILE A CD1 1 ATOM 21 N N . THR A 1 4 ? -5.993 4.528 -23.124 1.00 44.90 ? 4 THR A N 1 ATOM 22 C CA . THR A 1 4 ? -6.109 4.017 -24.488 1.00 44.60 ? 4 THR A CA 1 ATOM 23 C C . THR A 1 4 ? -4.725 4.046 -25.129 1.00 40.90 ? 4 THR A C 1 ATOM 24 O O . THR A 1 4 ? -4.258 5.103 -25.566 1.00 40.00 ? 4 THR A O 1 ATOM 25 C CB . THR A 1 4 ? -7.116 4.841 -25.286 1.00 46.70 ? 4 THR A CB 1 ATOM 26 O OG1 . THR A 1 4 ? -8.360 4.891 -24.575 1.00 46.44 ? 4 THR A OG1 1 ATOM 27 C CG2 . THR A 1 4 ? -7.349 4.224 -26.652 1.00 48.00 ? 4 THR A CG2 1 ATOM 28 N N . LEU A 1 5 ? -4.076 2.889 -25.185 1.00 41.69 ? 5 LEU A N 1 ATOM 29 C CA . LEU A 1 5 ? -2.728 2.802 -25.738 1.00 44.24 ? 5 LEU A CA 1 ATOM 30 C C . LEU A 1 5 ? -2.788 2.709 -27.258 1.00 44.30 ? 5 LEU A C 1 ATOM 31 O O . LEU A 1 5 ? -3.560 1.907 -27.794 1.00 46.69 ? 5 LEU A O 1 ATOM 32 C CB . LEU A 1 5 ? -1.995 1.585 -25.182 1.00 42.78 ? 5 LEU A CB 1 ATOM 33 C CG . LEU A 1 5 ? -1.793 1.476 -23.672 1.00 42.15 ? 5 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 5 ? -1.116 0.158 -23.337 1.00 37.37 ? 5 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 5 ? -0.977 2.646 -23.152 1.00 42.83 ? 5 LEU A CD2 1 ATOM 36 N N . PRO A 1 6 ? -2.002 3.504 -27.981 1.00 42.74 ? 6 PRO A N 1 ATOM 37 C CA . PRO A 1 6 ? -1.897 3.313 -29.432 1.00 43.44 ? 6 PRO A CA 1 ATOM 38 C C . PRO A 1 6 ? -1.042 2.097 -29.753 1.00 45.40 ? 6 PRO A C 1 ATOM 39 O O . PRO A 1 6 ? -0.021 1.844 -29.109 1.00 46.94 ? 6 PRO A O 1 ATOM 40 C CB . PRO A 1 6 ? -1.227 4.608 -29.917 1.00 40.17 ? 6 PRO A CB 1 ATOM 41 C CG . PRO A 1 6 ? -1.310 5.566 -28.754 1.00 38.48 ? 6 PRO A CG 1 ATOM 42 C CD . PRO A 1 6 ? -1.288 4.708 -27.532 1.00 39.11 ? 6 PRO A CD 1 ATOM 43 N N . CYS A 1 7 ? -1.468 1.340 -30.762 1.00 45.04 ? 7 CYS A N 1 ATOM 44 C CA . CYS A 1 7 ? -0.818 0.086 -31.112 1.00 48.90 ? 7 CYS A CA 1 ATOM 45 C C . CYS A 1 7 ? -0.587 0.001 -32.614 1.00 50.29 ? 7 CYS A C 1 ATOM 46 O O . CYS A 1 7 ? -1.368 0.525 -33.413 1.00 49.48 ? 7 CYS A O 1 ATOM 47 C CB . CYS A 1 7 ? -1.647 -1.119 -30.649 1.00 46.32 ? 7 CYS A CB 1 ATOM 48 S SG . CYS A 1 7 ? -1.857 -1.262 -28.855 1.00 48.75 ? 7 CYS A SG 1 ATOM 49 N N . ARG A 1 8 ? 0.498 -0.674 -32.987 1.00 50.49 ? 8 ARG A N 1 ATOM 50 C CA . ARG A 1 8 ? 0.842 -0.900 -34.390 1.00 49.24 ? 8 ARG A CA 1 ATOM 51 C C . ARG A 1 8 ? 1.442 -2.291 -34.595 1.00 52.61 ? 8 ARG A C 1 ATOM 52 O O . ARG A 1 8 ? 2.469 -2.619 -33.999 1.00 54.28 ? 8 ARG A O 1 ATOM 53 C CB . ARG A 1 8 ? 1.821 0.166 -34.887 1.00 47.98 ? 8 ARG A CB 1 ATOM 54 C CG . ARG A 1 8 ? 1.172 1.485 -35.265 1.00 55.75 ? 8 ARG A CG 1 ATOM 55 C CD . ARG A 1 8 ? 2.196 2.452 -35.835 1.00 56.00 ? 8 ARG A CD 1 ATOM 56 N NE . ARG A 1 8 ? 1.561 3.563 -36.537 1.00 62.48 ? 8 ARG A NE 1 ATOM 57 C CZ . ARG A 1 8 ? 1.250 4.726 -35.975 1.00 67.67 ? 8 ARG A CZ 1 ATOM 58 N NH1 . ARG A 1 8 ? 1.517 4.938 -34.693 1.00 68.81 ? 8 ARG A NH1 1 ATOM 59 N NH2 . ARG A 1 8 ? 0.672 5.677 -36.695 1.00 69.68 ? 8 ARG A NH2 1 ATOM 60 N N . PRO A 1 9 ? 0.806 -3.117 -35.444 1.00 49.67 ? 9 PRO A N 1 ATOM 61 C CA . PRO A 1 9 ? -0.439 -2.823 -36.163 1.00 47.35 ? 9 PRO A CA 1 ATOM 62 C C . PRO A 1 9 ? -1.662 -2.938 -35.261 1.00 48.23 ? 9 PRO A C 1 ATOM 63 O O . PRO A 1 9 ? -1.507 -3.137 -34.059 1.00 48.17 ? 9 PRO A O 1 ATOM 64 C CB . PRO A 1 9 ? -0.479 -3.894 -37.265 1.00 42.74 ? 9 PRO A CB 1 ATOM 65 C CG . PRO A 1 9 ? 0.881 -4.544 -37.253 1.00 47.99 ? 9 PRO A CG 1 ATOM 66 C CD . PRO A 1 9 ? 1.365 -4.415 -35.850 1.00 49.42 ? 9 PRO A CD 1 ATOM 67 N N . ALA A 1 10 ? -2.849 -2.815 -35.836 1.00 46.99 ? 10 ALA A N 1 ATOM 68 C CA . ALA A 1 10 ? -4.086 -2.896 -35.069 1.00 44.48 ? 10 ALA A CA 1 ATOM 69 C C . ALA A 1 10 ? -4.303 -4.312 -34.553 1.00 45.56 ? 10 ALA A C 1 ATOM 70 O O . ALA A 1 10 ? -4.546 -5.219 -35.360 1.00 47.14 ? 10 ALA A O 1 ATOM 71 C CB . ALA A 1 10 ? -5.269 -2.460 -35.931 1.00 46.03 ? 10 ALA A CB 1 ATOM 72 N N . PRO A 1 11 ? -4.227 -4.554 -33.247 1.00 46.39 ? 11 PRO A N 1 ATOM 73 C CA . PRO A 1 11 ? -4.442 -5.906 -32.730 1.00 45.39 ? 11 PRO A CA 1 ATOM 74 C C . PRO A 1 11 ? -5.913 -6.268 -32.768 1.00 46.65 ? 11 PRO A C 1 ATOM 75 O O . PRO A 1 11 ? -6.773 -5.443 -32.422 1.00 46.27 ? 11 PRO A O 1 ATOM 76 C CB . PRO A 1 11 ? -3.926 -5.820 -31.282 1.00 46.66 ? 11 PRO A CB 1 ATOM 77 C CG . PRO A 1 11 ? -3.196 -4.501 -31.190 1.00 47.98 ? 11 PRO A CG 1 ATOM 78 C CD . PRO A 1 11 ? -3.877 -3.612 -32.174 1.00 46.89 ? 11 PRO A CD 1 ATOM 79 N N . PRO A 1 12 ? -6.244 -7.485 -33.191 1.00 47.55 ? 12 PRO A N 1 ATOM 80 C CA . PRO A 1 12 ? -7.649 -7.913 -33.229 1.00 45.81 ? 12 PRO A CA 1 ATOM 81 C C . PRO A 1 12 ? -8.273 -7.872 -31.845 1.00 46.38 ? 12 PRO A C 1 ATOM 82 O O . PRO A 1 12 ? -7.561 -7.938 -30.831 1.00 48.50 ? 12 PRO A O 1 ATOM 83 C CB . PRO A 1 12 ? -7.563 -9.351 -33.760 1.00 48.55 ? 12 PRO A CB 1 ATOM 84 C CG . PRO A 1 12 ? -6.287 -9.388 -34.531 1.00 48.94 ? 12 PRO A CG 1 ATOM 85 C CD . PRO A 1 12 ? -5.344 -8.483 -33.793 1.00 48.52 ? 12 PRO A CD 1 ATOM 86 N N . PRO A 1 13 ? -9.602 -7.760 -31.759 1.00 47.76 ? 13 PRO A N 1 ATOM 87 C CA . PRO A 1 13 ? -10.241 -7.703 -30.434 1.00 46.19 ? 13 PRO A CA 1 ATOM 88 C C . PRO A 1 13 ? -10.057 -8.969 -29.618 1.00 45.93 ? 13 PRO A C 1 ATOM 89 O O . PRO A 1 13 ? -10.026 -8.898 -28.383 1.00 47.26 ? 13 PRO A O 1 ATOM 90 C CB . PRO A 1 13 ? -11.719 -7.454 -30.768 1.00 42.34 ? 13 PRO A CB 1 ATOM 91 C CG . PRO A 1 13 ? -11.883 -7.953 -32.164 1.00 46.80 ? 13 PRO A CG 1 ATOM 92 C CD . PRO A 1 13 ? -10.583 -7.659 -32.852 1.00 45.83 ? 13 PRO A CD 1 ATOM 93 N N . HIS A 1 14 ? -9.929 -10.125 -30.265 1.00 46.52 ? 14 HIS A N 1 ATOM 94 C CA . HIS A 1 14 ? -9.698 -11.370 -29.545 1.00 47.08 ? 14 HIS A CA 1 ATOM 95 C C . HIS A 1 14 ? -8.252 -11.535 -29.097 1.00 47.45 ? 14 HIS A C 1 ATOM 96 O O . HIS A 1 14 ? -7.928 -12.550 -28.469 1.00 49.15 ? 14 HIS A O 1 ATOM 97 C CB . HIS A 1 14 ? -10.119 -12.564 -30.405 1.00 49.36 ? 14 HIS A CB 1 ATOM 98 C CG . HIS A 1 14 ? -9.629 -12.498 -31.817 1.00 52.18 ? 14 HIS A CG 1 ATOM 99 N ND1 . HIS A 1 14 ? -10.446 -12.153 -32.872 1.00 56.50 ? 14 HIS A ND1 1 ATOM 100 C CD2 . HIS A 1 14 ? -8.406 -12.734 -32.349 1.00 52.56 ? 14 HIS A CD2 1 ATOM 101 C CE1 . HIS A 1 14 ? -9.748 -12.179 -33.993 1.00 57.19 ? 14 HIS A CE1 1 ATOM 102 N NE2 . HIS A 1 14 ? -8.507 -12.528 -33.703 1.00 56.46 ? 14 HIS A NE2 1 ATOM 103 N N . CYS A 1 15 ? -7.380 -10.577 -29.403 1.00 46.10 ? 15 CYS A N 1 ATOM 104 C CA . CYS A 1 15 ? -6.037 -10.544 -28.842 1.00 44.20 ? 15 CYS A CA 1 ATOM 105 C C . CYS A 1 15 ? -5.990 -9.862 -27.483 1.00 47.95 ? 15 CYS A C 1 ATOM 106 O O . CYS A 1 15 ? -4.901 -9.705 -26.920 1.00 48.77 ? 15 CYS A O 1 ATOM 107 C CB . CYS A 1 15 ? -5.072 -9.846 -29.807 1.00 42.89 ? 15 CYS A CB 1 ATOM 108 S SG . CYS A 1 15 ? -4.615 -10.848 -31.237 1.00 53.98 ? 15 CYS A SG 1 ATOM 109 N N . SER A 1 16 ? -7.139 -9.451 -26.951 1.00 48.38 ? 16 SER A N 1 ATOM 110 C CA . SER A 1 16 ? -7.187 -8.877 -25.615 1.00 45.59 ? 16 SER A CA 1 ATOM 111 C C . SER A 1 16 ? -6.814 -9.929 -24.579 1.00 47.14 ? 16 SER A C 1 ATOM 112 O O . SER A 1 16 ? -7.297 -11.063 -24.618 1.00 46.39 ? 16 SER A O 1 ATOM 113 C CB . SER A 1 16 ? -8.585 -8.325 -25.330 1.00 44.34 ? 16 SER A CB 1 ATOM 114 O OG . SER A 1 16 ? -8.979 -7.394 -26.324 1.00 45.83 ? 16 SER A OG 1 ATOM 115 N N . SER A 1 17 ? -5.946 -9.546 -23.644 1.00 48.00 ? 17 SER A N 1 ATOM 116 C CA . SER A 1 17 ? -5.438 -10.487 -22.654 1.00 43.58 ? 17 SER A CA 1 ATOM 117 C C . SER A 1 17 ? -5.560 -9.932 -21.241 1.00 45.37 ? 17 SER A C 1 ATOM 118 O O . SER A 1 17 ? -6.250 -8.933 -21.014 1.00 47.72 ? 17 SER A O 1 ATOM 119 C CB . SER A 1 17 ? -3.981 -10.833 -22.956 1.00 42.82 ? 17 SER A CB 1 ATOM 120 O OG . SER A 1 17 ? -3.194 -9.657 -22.990 1.00 47.35 ? 17 SER A OG 1 ATOM 121 N N . ASN A 1 18 ? -4.892 -10.577 -20.287 1.00 44.01 ? 18 ASN A N 1 ATOM 122 C CA . ASN A 1 18 ? -4.889 -10.159 -18.891 1.00 45.54 ? 18 ASN A CA 1 ATOM 123 C C . ASN A 1 18 ? -3.462 -9.854 -18.462 1.00 44.67 ? 18 ASN A C 1 ATOM 124 O O . ASN A 1 18 ? -2.564 -10.681 -18.654 1.00 42.67 ? 18 ASN A O 1 ATOM 125 C CB . ASN A 1 18 ? -5.480 -11.243 -17.985 1.00 47.66 ? 18 ASN A CB 1 ATOM 126 C CG . ASN A 1 18 ? -6.968 -11.431 -18.188 1.00 56.20 ? 18 ASN A CG 1 ATOM 127 O OD1 . ASN A 1 18 ? -7.703 -10.471 -18.422 1.00 54.78 ? 18 ASN A OD1 1 ATOM 128 N ND2 . ASN A 1 18 ? -7.421 -12.678 -18.096 1.00 68.74 ? 18 ASN A ND2 1 ATOM 129 N N . ILE A 1 19 ? -3.256 -8.676 -17.877 1.00 45.81 ? 19 ILE A N 1 ATOM 130 C CA . ILE A 1 19 ? -1.948 -8.293 -17.349 1.00 44.41 ? 19 ILE A CA 1 ATOM 131 C C . ILE A 1 19 ? -1.785 -8.989 -16.001 1.00 43.71 ? 19 ILE A C 1 ATOM 132 O O . ILE A 1 19 ? -2.355 -8.563 -14.996 1.00 46.75 ? 19 ILE A O 1 ATOM 133 C CB . ILE A 1 19 ? -1.799 -6.776 -17.223 1.00 42.72 ? 19 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 19 ? -1.982 -6.106 -18.586 1.00 43.75 ? 19 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 19 ? -0.440 -6.424 -16.633 1.00 41.95 ? 19 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 19 ? -1.819 -4.605 -18.545 1.00 46.38 ? 19 ILE A CD1 1 ATOM 137 N N . THR A 1 20 ? -1.006 -10.067 -15.977 1.00 41.78 ? 20 THR A N 1 ATOM 138 C CA . THR A 1 20 ? -0.734 -10.811 -14.756 1.00 41.70 ? 20 THR A CA 1 ATOM 139 C C . THR A 1 20 ? 0.566 -10.391 -14.090 1.00 41.14 ? 20 THR A C 1 ATOM 140 O O . THR A 1 20 ? 0.890 -10.902 -13.013 1.00 44.04 ? 20 THR A O 1 ATOM 141 C CB . THR A 1 20 ? -0.689 -12.310 -15.051 1.00 43.93 ? 20 THR A CB 1 ATOM 142 O OG1 . THR A 1 20 ? 0.445 -12.591 -15.880 1.00 43.96 ? 20 THR A OG1 1 ATOM 143 C CG2 . THR A 1 20 ? -1.958 -12.746 -15.766 1.00 45.10 ? 20 THR A CG2 1 ATOM 144 N N . GLY A 1 21 ? 1.317 -9.489 -14.704 1.00 39.79 ? 21 GLY A N 1 ATOM 145 C CA . GLY A 1 21 ? 2.577 -9.057 -14.138 1.00 39.74 ? 21 GLY A CA 1 ATOM 146 C C . GLY A 1 21 ? 3.349 -8.226 -15.136 1.00 42.29 ? 21 GLY A C 1 ATOM 147 O O . GLY A 1 21 ? 2.927 -8.022 -16.279 1.00 43.83 ? 21 GLY A O 1 ATOM 148 N N . LEU A 1 22 ? 4.499 -7.743 -14.675 1.00 44.42 ? 22 LEU A N 1 ATOM 149 C CA . LEU A 1 22 ? 5.375 -6.929 -15.502 1.00 45.26 ? 22 LEU A CA 1 ATOM 150 C C . LEU A 1 22 ? 6.806 -7.105 -15.016 1.00 43.64 ? 22 LEU A C 1 ATOM 151 O O . LEU A 1 22 ? 7.076 -7.845 -14.065 1.00 43.09 ? 22 LEU A O 1 ATOM 152 C CB . LEU A 1 22 ? 4.940 -5.460 -15.481 1.00 44.14 ? 22 LEU A CB 1 ATOM 153 C CG . LEU A 1 22 ? 4.655 -4.809 -14.125 1.00 45.72 ? 22 LEU A CG 1 ATOM 154 C CD1 . LEU A 1 22 ? 5.920 -4.235 -13.513 1.00 48.39 ? 22 LEU A CD1 1 ATOM 155 C CD2 . LEU A 1 22 ? 3.589 -3.733 -14.259 1.00 45.58 ? 22 LEU A CD2 1 ATOM 156 N N . ILE A 1 23 ? 7.728 -6.414 -15.680 1.00 45.23 ? 23 ILE A N 1 ATOM 157 C CA . ILE A 1 23 ? 9.145 -6.467 -15.351 1.00 46.52 ? 23 ILE A CA 1 ATOM 158 C C . ILE A 1 23 ? 9.672 -5.039 -15.289 1.00 44.94 ? 23 ILE A C 1 ATOM 159 O O . ILE A 1 23 ? 9.436 -4.243 -16.205 1.00 44.08 ? 23 ILE A O 1 ATOM 160 C CB . ILE A 1 23 ? 9.934 -7.316 -16.369 1.00 50.46 ? 23 ILE A CB 1 ATOM 161 C CG1 . ILE A 1 23 ? 11.423 -7.342 -16.022 1.00 54.74 ? 23 ILE A CG1 1 ATOM 162 C CG2 . ILE A 1 23 ? 9.700 -6.832 -17.799 1.00 48.21 ? 23 ILE A CG2 1 ATOM 163 C CD1 . ILE A 1 23 ? 12.234 -8.242 -16.929 1.00 58.50 ? 23 ILE A CD1 1 ATOM 164 N N . LEU A 1 24 ? 10.359 -4.709 -14.200 1.00 46.15 ? 24 LEU A N 1 ATOM 165 C CA . LEU A 1 24 ? 10.877 -3.369 -13.979 1.00 45.78 ? 24 LEU A CA 1 ATOM 166 C C . LEU A 1 24 ? 12.397 -3.392 -13.912 1.00 44.32 ? 24 LEU A C 1 ATOM 167 O O . LEU A 1 24 ? 13.022 -4.447 -13.767 1.00 45.04 ? 24 LEU A O 1 ATOM 168 C CB . LEU A 1 24 ? 10.316 -2.753 -12.690 1.00 44.34 ? 24 LEU A CB 1 ATOM 169 C CG . LEU A 1 24 ? 8.852 -2.313 -12.707 1.00 41.21 ? 24 LEU A CG 1 ATOM 170 C CD1 . LEU A 1 24 ? 8.464 -1.695 -11.372 1.00 43.79 ? 24 LEU A CD1 1 ATOM 171 C CD2 . LEU A 1 24 ? 8.595 -1.340 -13.847 1.00 44.24 ? 24 LEU A CD2 1 ATOM 172 N N . THR A 1 25 ? 12.985 -2.203 -14.019 1.00 42.13 ? 25 THR A N 1 ATOM 173 C CA . THR A 1 25 ? 14.428 -2.025 -13.913 1.00 43.49 ? 25 THR A CA 1 ATOM 174 C C . THR A 1 25 ? 14.693 -0.757 -13.118 1.00 42.75 ? 25 THR A C 1 ATOM 175 O O . THR A 1 25 ? 14.352 0.341 -13.570 1.00 43.28 ? 25 THR A O 1 ATOM 176 C CB . THR A 1 25 ? 15.087 -1.940 -15.293 1.00 45.02 ? 25 THR A CB 1 ATOM 177 O OG1 . THR A 1 25 ? 14.857 -3.158 -16.010 1.00 49.82 ? 25 THR A OG1 1 ATOM 178 C CG2 . THR A 1 25 ? 16.585 -1.716 -15.153 1.00 43.19 ? 25 THR A CG2 1 ATOM 179 N N . ARG A 1 26 ? 15.292 -0.907 -11.941 1.00 42.54 ? 26 ARG A N 1 ATOM 180 C CA . ARG A 1 26 ? 15.572 0.245 -11.097 1.00 41.00 ? 26 ARG A CA 1 ATOM 181 C C . ARG A 1 26 ? 16.687 1.088 -11.704 1.00 45.19 ? 26 ARG A C 1 ATOM 182 O O . ARG A 1 26 ? 17.654 0.562 -12.261 1.00 47.50 ? 26 ARG A O 1 ATOM 183 C CB . ARG A 1 26 ? 15.958 -0.206 -9.689 1.00 42.54 ? 26 ARG A CB 1 ATOM 184 C CG . ARG A 1 26 ? 15.876 0.898 -8.649 1.00 47.72 ? 26 ARG A CG 1 ATOM 185 C CD . ARG A 1 26 ? 16.354 0.430 -7.283 1.00 47.94 ? 26 ARG A CD 1 ATOM 186 N NE . ARG A 1 26 ? 17.808 0.325 -7.214 1.00 48.91 ? 26 ARG A NE 1 ATOM 187 C CZ . ARG A 1 26 ? 18.487 -0.809 -7.356 1.00 53.00 ? 26 ARG A CZ 1 ATOM 188 N NH1 . ARG A 1 26 ? 17.844 -1.948 -7.573 1.00 52.49 ? 26 ARG A NH1 1 ATOM 189 N NH2 . ARG A 1 26 ? 19.810 -0.804 -7.278 1.00 55.26 ? 26 ARG A NH2 1 ATOM 190 N N . GLN A 1 27 ? 16.545 2.404 -11.594 1.00 47.90 ? 27 GLN A N 1 ATOM 191 C CA . GLN A 1 27 ? 17.522 3.328 -12.156 1.00 47.78 ? 27 GLN A CA 1 ATOM 192 C C . GLN A 1 27 ? 18.775 3.400 -11.290 1.00 50.27 ? 27 GLN A C 1 ATOM 193 O O . GLN A 1 27 ? 18.772 4.018 -10.225 1.00 55.58 ? 27 GLN A O 1 ATOM 194 C CB . GLN A 1 27 ? 16.909 4.721 -12.317 1.00 52.84 ? 27 GLN A CB 1 ATOM 195 C CG . GLN A 1 27 ? 17.834 5.737 -12.964 1.00 64.19 ? 27 GLN A CG 1 ATOM 196 C CD . GLN A 1 27 ? 17.144 7.058 -13.240 1.00 67.97 ? 27 GLN A CD 1 ATOM 197 O OE1 . GLN A 1 27 ? 15.940 7.198 -13.027 1.00 67.05 ? 27 GLN A OE1 1 ATOM 198 N NE2 . GLN A 1 27 ? 17.905 8.036 -13.718 1.00 75.42 ? 27 GLN A NE2 1 ATOM 199 N N . ALA A 1 33 ? 17.919 8.020 -1.790 1.00 71.53 ? 33 ALA A N 1 ATOM 200 C CA . ALA A 1 33 ? 16.932 8.972 -1.295 1.00 70.34 ? 33 ALA A CA 1 ATOM 201 C C . ALA A 1 33 ? 15.590 8.291 -1.059 1.00 69.18 ? 33 ALA A C 1 ATOM 202 O O . ALA A 1 33 ? 15.449 7.086 -1.269 1.00 70.59 ? 33 ALA A O 1 ATOM 203 C CB . ALA A 1 33 ? 16.774 10.129 -2.272 1.00 72.14 ? 33 ALA A CB 1 ATOM 204 N N . ASN A 1 34 ? 14.604 9.069 -0.614 1.00 66.20 ? 34 ASN A N 1 ATOM 205 C CA . ASN A 1 34 ? 13.236 8.588 -0.488 1.00 66.69 ? 34 ASN A CA 1 ATOM 206 C C . ASN A 1 34 ? 12.487 8.601 -1.817 1.00 65.32 ? 34 ASN A C 1 ATOM 207 O O . ASN A 1 34 ? 11.252 8.524 -1.826 1.00 62.71 ? 34 ASN A O 1 ATOM 208 C CB . ASN A 1 34 ? 12.479 9.412 0.557 1.00 63.67 ? 34 ASN A CB 1 ATOM 209 C CG . ASN A 1 34 ? 12.750 10.900 0.437 1.00 67.11 ? 34 ASN A CG 1 ATOM 210 O OD1 . ASN A 1 34 ? 13.193 11.381 -0.606 1.00 73.42 ? 34 ASN A OD1 1 ATOM 211 N ND2 . ASN A 1 34 ? 12.485 11.636 1.510 1.00 59.36 ? 34 ASN A ND2 1 ATOM 212 N N . THR A 1 35 ? 13.211 8.701 -2.931 1.00 65.87 ? 35 THR A N 1 ATOM 213 C CA . THR A 1 35 ? 12.632 8.695 -4.271 1.00 62.53 ? 35 THR A CA 1 ATOM 214 C C . THR A 1 35 ? 13.401 7.683 -5.109 1.00 61.67 ? 35 THR A C 1 ATOM 215 O O . THR A 1 35 ? 14.594 7.869 -5.371 1.00 64.50 ? 35 THR A O 1 ATOM 216 C CB . THR A 1 35 ? 12.694 10.084 -4.911 1.00 61.27 ? 35 THR A CB 1 ATOM 217 O OG1 . THR A 1 35 ? 14.062 10.497 -5.026 1.00 71.30 ? 35 THR A OG1 1 ATOM 218 C CG2 . THR A 1 35 ? 11.935 11.101 -4.072 1.00 67.30 ? 35 THR A CG2 1 ATOM 219 N N . VAL A 1 36 ? 12.726 6.614 -5.526 1.00 55.81 ? 36 VAL A N 1 ATOM 220 C CA . VAL A 1 36 ? 13.322 5.580 -6.363 1.00 52.70 ? 36 VAL A CA 1 ATOM 221 C C . VAL A 1 36 ? 12.530 5.494 -7.659 1.00 53.80 ? 36 VAL A C 1 ATOM 222 O O . VAL A 1 36 ? 11.295 5.533 -7.648 1.00 54.16 ? 36 VAL A O 1 ATOM 223 C CB . VAL A 1 36 ? 13.361 4.215 -5.645 1.00 52.63 ? 36 VAL A CB 1 ATOM 224 C CG1 . VAL A 1 36 ? 13.994 3.166 -6.535 1.00 52.74 ? 36 VAL A CG1 1 ATOM 225 C CG2 . VAL A 1 36 ? 14.133 4.328 -4.342 1.00 59.37 ? 36 VAL A CG2 1 ATOM 226 N N . ILE A 1 37 ? 13.245 5.378 -8.776 1.00 50.06 ? 37 ILE A N 1 ATOM 227 C CA . ILE A 1 37 ? 12.658 5.426 -10.109 1.00 50.94 ? 37 ILE A CA 1 ATOM 228 C C . ILE A 1 37 ? 12.752 4.048 -10.751 1.00 50.78 ? 37 ILE A C 1 ATOM 229 O O . ILE A 1 37 ? 13.790 3.380 -10.667 1.00 47.66 ? 37 ILE A O 1 ATOM 230 C CB . ILE A 1 37 ? 13.357 6.490 -10.978 1.00 49.58 ? 37 ILE A CB 1 ATOM 231 C CG1 . ILE A 1 37 ? 13.289 7.857 -10.295 1.00 54.95 ? 37 ILE A CG1 1 ATOM 232 C CG2 . ILE A 1 37 ? 12.737 6.546 -12.359 1.00 48.81 ? 37 ILE A CG2 1 ATOM 233 C CD1 . ILE A 1 37 ? 14.019 8.953 -11.040 1.00 55.85 ? 37 ILE A CD1 1 ATOM 234 N N . PHE A 1 38 ? 11.664 3.627 -11.396 1.00 49.54 ? 38 PHE A N 1 ATOM 235 C CA . PHE A 1 38 ? 11.598 2.347 -12.086 1.00 45.56 ? 38 PHE A CA 1 ATOM 236 C C . PHE A 1 38 ? 11.094 2.552 -13.509 1.00 45.86 ? 38 PHE A C 1 ATOM 237 O O . PHE A 1 38 ? 10.275 3.436 -13.775 1.00 48.46 ? 38 PHE A O 1 ATOM 238 C CB . PHE A 1 38 ? 10.682 1.356 -11.357 1.00 44.02 ? 38 PHE A CB 1 ATOM 239 C CG . PHE A 1 38 ? 11.131 1.025 -9.964 1.00 44.89 ? 38 PHE A CG 1 ATOM 240 C CD1 . PHE A 1 38 ? 12.007 -0.022 -9.736 1.00 43.58 ? 38 PHE A CD1 1 ATOM 241 C CD2 . PHE A 1 38 ? 10.675 1.760 -8.882 1.00 47.50 ? 38 PHE A CD2 1 ATOM 242 C CE1 . PHE A 1 38 ? 12.421 -0.329 -8.456 1.00 45.82 ? 38 PHE A CE1 1 ATOM 243 C CE2 . PHE A 1 38 ? 11.087 1.457 -7.599 1.00 51.57 ? 38 PHE A CE2 1 ATOM 244 C CZ . PHE A 1 38 ? 11.960 0.409 -7.386 1.00 49.43 ? 38 PHE A CZ 1 ATOM 245 N N . ARG A 1 39 ? 11.594 1.724 -14.421 1.00 41.52 ? 39 ARG A N 1 ATOM 246 C CA . ARG A 1 39 ? 11.224 1.762 -15.826 1.00 41.92 ? 39 ARG A CA 1 ATOM 247 C C . ARG A 1 39 ? 10.921 0.358 -16.322 1.00 44.27 ? 39 ARG A C 1 ATOM 248 O O . ARG A 1 39 ? 11.443 -0.621 -15.778 1.00 45.88 ? 39 ARG A O 1 ATOM 249 C CB . ARG A 1 39 ? 12.349 2.363 -16.680 1.00 43.87 ? 39 ARG A CB 1 ATOM 250 C CG . ARG A 1 39 ? 13.078 3.542 -16.051 1.00 47.61 ? 39 ARG A CG 1 ATOM 251 C CD . ARG A 1 39 ? 14.079 4.155 -17.017 1.00 48.26 ? 39 ARG A CD 1 ATOM 252 N NE . ARG A 1 39 ? 13.531 5.314 -17.714 1.00 51.35 ? 39 ARG A NE 1 ATOM 253 C CZ . ARG A 1 39 ? 13.790 6.575 -17.381 1.00 52.53 ? 39 ARG A CZ 1 ATOM 254 N NH1 . ARG A 1 39 ? 13.246 7.571 -18.066 1.00 51.66 ? 39 ARG A NH1 1 ATOM 255 N NH2 . ARG A 1 39 ? 14.597 6.841 -16.362 1.00 53.12 ? 39 ARG A NH2 1 ATOM 256 N N . PRO A 1 40 ? 10.072 0.223 -17.340 1.00 43.67 ? 40 PRO A N 1 ATOM 257 C CA . PRO A 1 40 ? 9.830 -1.101 -17.927 1.00 43.45 ? 40 PRO A CA 1 ATOM 258 C C . PRO A 1 40 ? 11.095 -1.637 -18.583 1.00 47.97 ? 40 PRO A C 1 ATOM 259 O O . PRO A 1 40 ? 11.767 -0.932 -19.339 1.00 49.32 ? 40 PRO A O 1 ATOM 260 C CB . PRO A 1 40 ? 8.723 -0.840 -18.955 1.00 44.09 ? 40 PRO A CB 1 ATOM 261 C CG . PRO A 1 40 ? 8.830 0.619 -19.265 1.00 44.76 ? 40 PRO A CG 1 ATOM 262 C CD . PRO A 1 40 ? 9.260 1.269 -17.986 1.00 43.16 ? 40 PRO A CD 1 ATOM 263 N N . SER A 1 41 ? 11.410 -2.893 -18.289 1.00 48.51 ? 41 SER A N 1 ATOM 264 C CA . SER A 1 41 ? 12.680 -3.463 -18.715 1.00 50.80 ? 41 SER A CA 1 ATOM 265 C C . SER A 1 41 ? 12.713 -3.662 -20.225 1.00 55.51 ? 41 SER A C 1 ATOM 266 O O . SER A 1 41 ? 11.699 -3.992 -20.850 1.00 53.28 ? 41 SER A O 1 ATOM 267 C CB . SER A 1 41 ? 12.926 -4.794 -18.003 1.00 50.33 ? 41 SER A CB 1 ATOM 268 O OG . SER A 1 41 ? 14.026 -5.486 -18.566 1.00 52.90 ? 41 SER A OG 1 ATOM 269 N N . GLY A 1 42 ? 13.891 -3.447 -20.807 1.00 62.26 ? 42 GLY A N 1 ATOM 270 C CA . GLY A 1 42 ? 14.150 -3.750 -22.196 1.00 68.27 ? 42 GLY A CA 1 ATOM 271 C C . GLY A 1 42 ? 14.967 -5.005 -22.405 1.00 76.26 ? 42 GLY A C 1 ATOM 272 O O . GLY A 1 42 ? 15.385 -5.275 -23.538 1.00 80.36 ? 42 GLY A O 1 ATOM 273 N N . GLY A 1 43 ? 15.219 -5.776 -21.348 1.00 77.81 ? 43 GLY A N 1 ATOM 274 C CA . GLY A 1 43 ? 16.001 -6.987 -21.494 1.00 81.73 ? 43 GLY A CA 1 ATOM 275 C C . GLY A 1 43 ? 15.303 -8.000 -22.381 1.00 90.35 ? 43 GLY A C 1 ATOM 276 O O . GLY A 1 43 ? 14.079 -7.995 -22.529 1.00 94.09 ? 43 GLY A O 1 ATOM 277 N N . ASP A 1 44 ? 16.106 -8.882 -22.972 1.00 85.53 ? 44 ASP A N 1 ATOM 278 C CA . ASP A 1 44 ? 15.618 -9.859 -23.936 1.00 84.73 ? 44 ASP A CA 1 ATOM 279 C C . ASP A 1 44 ? 14.538 -10.748 -23.337 1.00 82.24 ? 44 ASP A C 1 ATOM 280 O O . ASP A 1 44 ? 14.361 -10.789 -22.114 1.00 81.61 ? 44 ASP A O 1 ATOM 281 C CB . ASP A 1 44 ? 16.775 -10.716 -24.457 1.00 82.96 ? 44 ASP A CB 1 ATOM 282 C CG . ASP A 1 44 ? 17.876 -9.886 -25.085 1.00 84.35 ? 44 ASP A CG 1 ATOM 283 O OD1 . ASP A 1 44 ? 17.582 -8.761 -25.540 1.00 83.49 ? 44 ASP A OD1 1 ATOM 284 O OD2 . ASP A 1 44 ? 19.033 -10.354 -25.121 1.00 87.93 ? 44 ASP A OD2 1 ATOM 285 N N . TRP A 1 45 ? 13.806 -11.461 -24.196 1.00 83.79 ? 45 TRP A N 1 ATOM 286 C CA . TRP A 1 45 ? 12.819 -12.416 -23.713 1.00 84.01 ? 45 TRP A CA 1 ATOM 287 C C . TRP A 1 45 ? 13.448 -13.492 -22.837 1.00 81.88 ? 45 TRP A C 1 ATOM 288 O O . TRP A 1 45 ? 12.733 -14.169 -22.091 1.00 79.02 ? 45 TRP A O 1 ATOM 289 C CB . TRP A 1 45 ? 12.088 -13.046 -24.898 1.00 82.15 ? 45 TRP A CB 1 ATOM 290 C CG . TRP A 1 45 ? 11.243 -12.070 -25.656 1.00 83.30 ? 45 TRP A CG 1 ATOM 291 C CD1 . TRP A 1 45 ? 9.977 -11.678 -25.347 1.00 80.46 ? 45 TRP A CD1 1 ATOM 292 C CD2 . TRP A 1 45 ? 11.605 -11.358 -26.847 1.00 84.96 ? 45 TRP A CD2 1 ATOM 293 N NE1 . TRP A 1 45 ? 9.519 -10.776 -26.276 1.00 87.54 ? 45 TRP A NE1 1 ATOM 294 C CE2 . TRP A 1 45 ? 10.502 -10.557 -27.204 1.00 80.58 ? 45 TRP A CE2 1 ATOM 295 C CE3 . TRP A 1 45 ? 12.752 -11.321 -27.645 1.00 85.06 ? 45 TRP A CE3 1 ATOM 296 C CZ2 . TRP A 1 45 ? 10.512 -9.729 -28.324 1.00 80.25 ? 45 TRP A CZ2 1 ATOM 297 C CZ3 . TRP A 1 45 ? 12.760 -10.498 -28.758 1.00 85.98 ? 45 TRP A CZ3 1 ATOM 298 C CH2 . TRP A 1 45 ? 11.647 -9.713 -29.086 1.00 81.24 ? 45 TRP A CH2 1 ATOM 299 N N . ARG A 1 46 ? 14.770 -13.666 -22.917 1.00 83.60 ? 46 ARG A N 1 ATOM 300 C CA . ARG A 1 46 ? 15.463 -14.520 -21.960 1.00 84.14 ? 46 ARG A CA 1 ATOM 301 C C . ARG A 1 46 ? 15.456 -13.900 -20.568 1.00 81.03 ? 46 ARG A C 1 ATOM 302 O O . ARG A 1 46 ? 15.278 -14.606 -19.570 1.00 82.24 ? 46 ARG A O 1 ATOM 303 C CB . ARG A 1 46 ? 16.894 -14.779 -22.427 1.00 81.95 ? 46 ARG A CB 1 ATOM 304 N N . ASP A 1 47 ? 15.652 -12.580 -20.482 1.00 82.24 ? 47 ASP A N 1 ATOM 305 C CA . ASP A 1 47 ? 15.541 -11.895 -19.199 1.00 82.87 ? 47 ASP A CA 1 ATOM 306 C C . ASP A 1 47 ? 14.114 -11.936 -18.676 1.00 79.55 ? 47 ASP A C 1 ATOM 307 O O . ASP A 1 47 ? 13.894 -11.884 -17.462 1.00 78.11 ? 47 ASP A O 1 ATOM 308 C CB . ASP A 1 47 ? 16.021 -10.450 -19.331 1.00 82.65 ? 47 ASP A CB 1 ATOM 309 N N . ILE A 1 48 ? 13.137 -12.020 -19.580 1.00 79.67 ? 48 ILE A N 1 ATOM 310 C CA . ILE A 1 48 ? 11.749 -12.213 -19.183 1.00 76.71 ? 48 ILE A CA 1 ATOM 311 C C . ILE A 1 48 ? 11.548 -13.598 -18.581 1.00 77.99 ? 48 ILE A C 1 ATOM 312 O O . ILE A 1 48 ? 10.733 -13.773 -17.666 1.00 76.80 ? 48 ILE A O 1 ATOM 313 C CB . ILE A 1 48 ? 10.842 -11.963 -20.404 1.00 77.34 ? 48 ILE A CB 1 ATOM 314 C CG1 . ILE A 1 48 ? 10.627 -10.459 -20.601 1.00 72.76 ? 48 ILE A CG1 1 ATOM 315 C CG2 . ILE A 1 48 ? 9.520 -12.712 -20.288 1.00 77.21 ? 48 ILE A CG2 1 ATOM 316 C CD1 . ILE A 1 48 ? 10.084 -10.088 -21.958 1.00 70.50 ? 48 ILE A CD1 1 ATOM 317 N N . ALA A 1 49 ? 12.306 -14.594 -19.049 1.00 78.25 ? 49 ALA A N 1 ATOM 318 C CA . ALA A 1 49 ? 12.092 -15.966 -18.599 1.00 76.04 ? 49 ALA A CA 1 ATOM 319 C C . ALA A 1 49 ? 12.434 -16.134 -17.123 1.00 72.65 ? 49 ALA A C 1 ATOM 320 O O . ALA A 1 49 ? 11.774 -16.901 -16.412 1.00 73.73 ? 49 ALA A O 1 ATOM 321 C CB . ALA A 1 49 ? 12.912 -16.931 -19.455 1.00 79.16 ? 49 ALA A CB 1 ATOM 322 N N . ARG A 1 50 ? 13.455 -15.420 -16.639 1.00 73.92 ? 50 ARG A N 1 ATOM 323 C CA . ARG A 1 50 ? 13.870 -15.556 -15.245 1.00 74.63 ? 50 ARG A CA 1 ATOM 324 C C . ARG A 1 50 ? 12.796 -15.121 -14.254 1.00 75.22 ? 50 ARG A C 1 ATOM 325 O O . ARG A 1 50 ? 12.950 -15.367 -13.052 1.00 75.16 ? 50 ARG A O 1 ATOM 326 C CB . ARG A 1 50 ? 15.147 -14.755 -14.993 1.00 77.48 ? 50 ARG A CB 1 ATOM 327 N N . CYS A 1 51 ? 11.713 -14.495 -14.719 1.00 71.18 ? 51 CYS A N 1 ATOM 328 C CA . CYS A 1 51 ? 10.630 -14.129 -13.812 1.00 65.51 ? 51 CYS A CA 1 ATOM 329 C C . CYS A 1 51 ? 9.759 -15.330 -13.458 1.00 59.22 ? 51 CYS A C 1 ATOM 330 O O . CYS A 1 51 ? 9.200 -15.388 -12.358 1.00 54.86 ? 51 CYS A O 1 ATOM 331 C CB . CYS A 1 51 ? 9.782 -13.010 -14.423 1.00 62.01 ? 51 CYS A CB 1 ATOM 332 S SG . CYS A 1 51 ? 10.596 -11.403 -14.422 1.00 68.61 ? 51 CYS A SG 1 ATOM 333 N N . GLN A 1 52 ? 9.621 -16.279 -14.383 1.00 57.63 ? 52 GLN A N 1 ATOM 334 C CA . GLN A 1 52 ? 8.876 -17.522 -14.170 1.00 56.30 ? 52 GLN A CA 1 ATOM 335 C C . GLN A 1 52 ? 7.418 -17.278 -13.784 1.00 53.40 ? 52 GLN A C 1 ATOM 336 O O . GLN A 1 52 ? 6.847 -18.021 -12.983 1.00 47.82 ? 52 GLN A O 1 ATOM 337 C CB . GLN A 1 52 ? 9.550 -18.413 -13.122 1.00 58.02 ? 52 GLN A CB 1 ATOM 338 C CG . GLN A 1 52 ? 10.852 -19.044 -13.579 1.00 63.26 ? 52 GLN A CG 1 ATOM 339 C CD . GLN A 1 52 ? 11.499 -19.880 -12.488 1.00 62.85 ? 52 GLN A CD 1 ATOM 340 O OE1 . GLN A 1 52 ? 11.660 -19.423 -11.356 1.00 64.24 ? 52 GLN A OE1 1 ATOM 341 N NE2 . GLN A 1 52 ? 11.876 -21.109 -12.826 1.00 64.28 ? 52 GLN A NE2 1 ATOM 342 N N . ILE A 1 53 ? 6.784 -16.244 -14.345 1.00 49.95 ? 53 ILE A N 1 ATOM 343 C CA . ILE A 1 53 ? 5.371 -15.983 -14.095 1.00 46.16 ? 53 ILE A CA 1 ATOM 344 C C . ILE A 1 53 ? 4.574 -15.758 -15.369 1.00 45.58 ? 53 ILE A C 1 ATOM 345 O O . ILE A 1 53 ? 3.382 -15.456 -15.293 1.00 44.39 ? 53 ILE A O 1 ATOM 346 C CB . ILE A 1 53 ? 5.174 -14.795 -13.128 1.00 44.21 ? 53 ILE A CB 1 ATOM 347 C CG1 . ILE A 1 53 ? 5.759 -13.512 -13.721 1.00 45.62 ? 53 ILE A CG1 1 ATOM 348 C CG2 . ILE A 1 53 ? 5.788 -15.102 -11.763 1.00 43.35 ? 53 ILE A CG2 1 ATOM 349 C CD1 . ILE A 1 53 ? 5.588 -12.311 -12.822 1.00 41.46 ? 53 ILE A CD1 1 ATOM 350 N N . ALA A 1 54 ? 5.182 -15.905 -16.542 1.00 46.43 ? 54 ALA A N 1 ATOM 351 C CA . ALA A 1 54 ? 4.464 -15.737 -17.793 1.00 48.51 ? 54 ALA A CA 1 ATOM 352 C C . ALA A 1 54 ? 3.696 -17.010 -18.140 1.00 48.59 ? 54 ALA A C 1 ATOM 353 O O . ALA A 1 54 ? 3.928 -18.086 -17.580 1.00 48.10 ? 54 ALA A O 1 ATOM 354 C CB . ALA A 1 54 ? 5.430 -15.368 -18.917 1.00 44.45 ? 54 ALA A CB 1 ATOM 355 N N . GLY A 1 55 ? 2.762 -16.877 -19.074 1.00 44.34 ? 55 GLY A N 1 ATOM 356 C CA . GLY A 1 55 ? 1.991 -18.020 -19.514 1.00 43.50 ? 55 GLY A CA 1 ATOM 357 C C . GLY A 1 55 ? 2.529 -18.623 -20.793 1.00 45.39 ? 55 GLY A C 1 ATOM 358 O O . GLY A 1 55 ? 3.677 -19.079 -20.840 1.00 49.19 ? 55 GLY A O 1 ATOM 359 N N . THR A 1 56 ? 1.700 -18.633 -21.838 1.00 45.29 ? 56 THR A N 1 ATOM 360 C CA . THR A 1 56 ? 2.111 -19.093 -23.159 1.00 46.87 ? 56 THR A CA 1 ATOM 361 C C . THR A 1 56 ? 2.505 -17.953 -24.090 1.00 46.18 ? 56 THR A C 1 ATOM 362 O O . THR A 1 56 ? 3.460 -18.097 -24.862 1.00 44.89 ? 56 THR A O 1 ATOM 363 C CB . THR A 1 56 ? 0.985 -19.903 -23.814 1.00 46.43 ? 56 THR A CB 1 ATOM 364 O OG1 . THR A 1 56 ? 0.661 -21.033 -22.997 1.00 54.66 ? 56 THR A OG1 1 ATOM 365 C CG2 . THR A 1 56 ? 1.399 -20.392 -25.195 1.00 42.22 ? 56 THR A CG2 1 ATOM 366 N N . VAL A 1 57 ? 1.811 -16.815 -24.012 1.00 43.98 ? 57 VAL A N 1 ATOM 367 C CA . VAL A 1 57 ? 2.076 -15.693 -24.906 1.00 43.08 ? 57 VAL A CA 1 ATOM 368 C C . VAL A 1 57 ? 3.430 -15.064 -24.578 1.00 44.53 ? 57 VAL A C 1 ATOM 369 O O . VAL A 1 57 ? 3.857 -15.017 -23.415 1.00 43.87 ? 57 VAL A O 1 ATOM 370 C CB . VAL A 1 57 ? 0.931 -14.665 -24.831 1.00 40.34 ? 57 VAL A CB 1 ATOM 371 C CG1 . VAL A 1 57 ? -0.398 -15.367 -25.033 1.00 43.10 ? 57 VAL A CG1 1 ATOM 372 C CG2 . VAL A 1 57 ? 0.967 -13.869 -23.527 1.00 44.39 ? 57 VAL A CG2 1 ATOM 373 N N . VAL A 1 58 ? 4.106 -14.575 -25.616 1.00 46.02 ? 58 VAL A N 1 ATOM 374 C CA . VAL A 1 58 ? 5.420 -13.949 -25.484 1.00 46.03 ? 58 VAL A CA 1 ATOM 375 C C . VAL A 1 58 ? 5.245 -12.437 -25.576 1.00 44.42 ? 58 VAL A C 1 ATOM 376 O O . VAL A 1 58 ? 4.766 -11.922 -26.592 1.00 44.97 ? 58 VAL A O 1 ATOM 377 C CB . VAL A 1 58 ? 6.386 -14.458 -26.565 1.00 49.17 ? 58 VAL A CB 1 ATOM 378 C CG1 . VAL A 1 58 ? 7.673 -13.657 -26.555 1.00 54.86 ? 58 VAL A CG1 1 ATOM 379 C CG2 . VAL A 1 58 ? 6.669 -15.943 -26.377 1.00 43.15 ? 58 VAL A CG2 1 ATOM 380 N N . SER A 1 59 ? 5.641 -11.723 -24.521 1.00 46.64 ? 59 SER A N 1 ATOM 381 C CA . SER A 1 59 ? 5.345 -10.299 -24.421 1.00 48.32 ? 59 SER A CA 1 ATOM 382 C C . SER A 1 59 ? 6.449 -9.563 -23.673 1.00 50.11 ? 59 SER A C 1 ATOM 383 O O . SER A 1 59 ? 7.029 -10.095 -22.724 1.00 53.07 ? 59 SER A O 1 ATOM 384 C CB . SER A 1 59 ? 4.005 -10.068 -23.714 1.00 48.40 ? 59 SER A CB 1 ATOM 385 O OG . SER A 1 59 ? 4.041 -10.598 -22.403 1.00 47.11 ? 59 SER A OG 1 ATOM 386 N N . THR A 1 60 ? 6.716 -8.332 -24.102 1.00 51.96 ? 60 THR A N 1 ATOM 387 C CA . THR A 1 60 ? 7.702 -7.457 -23.484 1.00 52.22 ? 60 THR A CA 1 ATOM 388 C C . THR A 1 60 ? 7.000 -6.447 -22.585 1.00 50.36 ? 60 THR A C 1 ATOM 389 O O . THR A 1 60 ? 5.824 -6.126 -22.797 1.00 50.78 ? 60 THR A O 1 ATOM 390 C CB . THR A 1 60 ? 8.517 -6.725 -24.551 1.00 53.65 ? 60 THR A CB 1 ATOM 391 O OG1 . THR A 1 60 ? 7.635 -5.983 -25.400 1.00 55.24 ? 60 THR A OG1 1 ATOM 392 C CG2 . THR A 1 60 ? 9.297 -7.713 -25.396 1.00 60.99 ? 60 THR A CG2 1 ATOM 393 N N . GLN A 1 61 ? 7.728 -5.965 -21.568 1.00 48.44 ? 61 GLN A N 1 ATOM 394 C CA . GLN A 1 61 ? 7.241 -4.955 -20.626 1.00 47.56 ? 61 GLN A CA 1 ATOM 395 C C . GLN A 1 61 ? 6.108 -5.436 -19.715 1.00 46.55 ? 61 GLN A C 1 ATOM 396 O O . GLN A 1 61 ? 6.064 -5.081 -18.528 1.00 47.69 ? 61 GLN A O 1 ATOM 397 C CB . GLN A 1 61 ? 6.806 -3.704 -21.395 1.00 49.87 ? 61 GLN A CB 1 ATOM 398 C CG . GLN A 1 61 ? 8.012 -2.980 -21.961 1.00 54.90 ? 61 GLN A CG 1 ATOM 399 C CD . GLN A 1 61 ? 7.709 -1.628 -22.557 1.00 54.81 ? 61 GLN A CD 1 ATOM 400 O OE1 . GLN A 1 61 ? 6.555 -1.280 -22.811 1.00 50.01 ? 61 GLN A OE1 1 ATOM 401 N NE2 . GLN A 1 61 ? 8.762 -0.851 -22.790 1.00 57.77 ? 61 GLN A NE2 1 ATOM 402 N N . LEU A 1 62 ? 5.181 -6.232 -20.250 1.00 47.65 ? 62 LEU A N 1 ATOM 403 C CA . LEU A 1 62 ? 4.053 -6.704 -19.460 1.00 46.82 ? 62 LEU A CA 1 ATOM 404 C C . LEU A 1 62 ? 3.827 -8.187 -19.700 1.00 46.02 ? 62 LEU A C 1 ATOM 405 O O . LEU A 1 62 ? 3.980 -8.679 -20.821 1.00 44.46 ? 62 LEU A O 1 ATOM 406 C CB . LEU A 1 62 ? 2.780 -5.931 -19.800 1.00 45.94 ? 62 LEU A CB 1 ATOM 407 C CG . LEU A 1 62 ? 2.831 -4.440 -19.505 1.00 42.12 ? 62 LEU A CG 1 ATOM 408 C CD1 . LEU A 1 62 ? 1.619 -3.838 -20.143 1.00 47.25 ? 62 LEU A CD1 1 ATOM 409 C CD2 . LEU A 1 62 ? 2.839 -4.197 -18.006 1.00 46.04 ? 62 LEU A CD2 1 ATOM 410 N N . PHE A 1 63 ? 3.442 -8.880 -18.635 1.00 45.06 ? 63 PHE A N 1 ATOM 411 C CA . PHE A 1 63 ? 3.141 -10.304 -18.673 1.00 43.90 ? 63 PHE A CA 1 ATOM 412 C C . PHE A 1 63 ? 1.650 -10.470 -18.935 1.00 42.23 ? 63 PHE A C 1 ATOM 413 O O . PHE A 1 63 ? 0.823 -10.224 -18.049 1.00 42.23 ? 63 PHE A O 1 ATOM 414 C CB . PHE A 1 63 ? 3.537 -10.970 -17.357 1.00 44.48 ? 63 PHE A CB 1 ATOM 415 C CG . PHE A 1 63 ? 5.018 -11.090 -17.151 1.00 45.23 ? 63 PHE A CG 1 ATOM 416 C CD1 . PHE A 1 63 ? 5.834 -11.556 -18.164 1.00 46.44 ? 63 PHE A CD1 1 ATOM 417 C CD2 . PHE A 1 63 ? 5.594 -10.725 -15.943 1.00 45.64 ? 63 PHE A CD2 1 ATOM 418 C CE1 . PHE A 1 63 ? 7.193 -11.663 -17.976 1.00 50.92 ? 63 PHE A CE1 1 ATOM 419 C CE2 . PHE A 1 63 ? 6.955 -10.830 -15.752 1.00 46.04 ? 63 PHE A CE2 1 ATOM 420 C CZ . PHE A 1 63 ? 7.753 -11.300 -16.773 1.00 51.12 ? 63 PHE A CZ 1 ATOM 421 N N . LEU A 1 64 ? 1.311 -10.891 -20.147 1.00 41.83 ? 64 LEU A N 1 ATOM 422 C CA . LEU A 1 64 ? -0.061 -11.206 -20.500 1.00 42.06 ? 64 LEU A CA 1 ATOM 423 C C . LEU A 1 64 ? -0.326 -12.688 -20.310 1.00 43.55 ? 64 LEU A C 1 ATOM 424 O O . LEU A 1 64 ? 0.522 -13.532 -20.606 1.00 41.89 ? 64 LEU A O 1 ATOM 425 C CB . LEU A 1 64 ? -0.349 -10.827 -21.948 1.00 42.51 ? 64 LEU A CB 1 ATOM 426 C CG . LEU A 1 64 ? 0.122 -9.457 -22.415 1.00 43.87 ? 64 LEU A CG 1 ATOM 427 C CD1 . LEU A 1 64 ? -0.209 -9.307 -23.888 1.00 46.27 ? 64 LEU A CD1 1 ATOM 428 C CD2 . LEU A 1 64 ? -0.508 -8.349 -21.581 1.00 42.13 ? 64 LEU A CD2 1 ATOM 429 N N . ASN A 1 65 ? -1.513 -12.993 -19.802 1.00 43.83 ? 65 ASN A N 1 ATOM 430 C CA . ASN A 1 65 ? -2.009 -14.362 -19.739 1.00 40.76 ? 65 ASN A CA 1 ATOM 431 C C . ASN A 1 65 ? -1.046 -15.261 -18.973 1.00 39.94 ? 65 ASN A C 1 ATOM 432 O O . ASN A 1 65 ? -0.851 -16.431 -19.305 1.00 39.89 ? 65 ASN A O 1 ATOM 433 C CB . ASN A 1 65 ? -2.286 -14.902 -21.142 1.00 40.31 ? 65 ASN A CB 1 ATOM 434 C CG . ASN A 1 65 ? -3.592 -14.381 -21.710 1.00 40.78 ? 65 ASN A CG 1 ATOM 435 O OD1 . ASN A 1 65 ? -4.278 -13.583 -21.072 1.00 44.15 ? 65 ASN A OD1 1 ATOM 436 N ND2 . ASN A 1 65 ? -3.939 -14.819 -22.913 1.00 40.74 ? 65 ASN A ND2 1 ATOM 437 N N . GLY A 1 66 ? -0.436 -14.703 -17.936 1.00 39.89 ? 66 GLY A N 1 ATOM 438 C CA . GLY A 1 66 ? 0.484 -15.424 -17.092 1.00 42.40 ? 66 GLY A CA 1 ATOM 439 C C . GLY A 1 66 ? -0.165 -15.892 -15.807 1.00 45.36 ? 66 GLY A C 1 ATOM 440 O O . GLY A 1 66 ? -1.391 -16.010 -15.698 1.00 48.71 ? 66 GLY A O 1 ATOM 441 N N . SER A 1 67 ? 0.675 -16.163 -14.815 1.00 43.88 ? 67 SER A N 1 ATOM 442 C CA . SER A 1 67 ? 0.210 -16.632 -13.521 1.00 42.21 ? 67 SER A CA 1 ATOM 443 C C . SER A 1 67 ? 0.007 -15.462 -12.569 1.00 46.32 ? 67 SER A C 1 ATOM 444 O O . SER A 1 67 ? 0.655 -14.418 -12.685 1.00 47.92 ? 67 SER A O 1 ATOM 445 C CB . SER A 1 67 ? 1.206 -17.625 -12.922 1.00 41.62 ? 67 SER A CB 1 ATOM 446 O OG . SER A 1 67 ? 2.491 -17.037 -12.796 1.00 41.37 ? 67 SER A OG 1 ATOM 447 N N . LEU A 1 68 ? -0.901 -15.654 -11.619 1.00 44.62 ? 68 LEU A N 1 ATOM 448 C CA . LEU A 1 68 ? -1.228 -14.648 -10.624 1.00 40.69 ? 68 LEU A CA 1 ATOM 449 C C . LEU A 1 68 ? -0.742 -15.088 -9.250 1.00 46.67 ? 68 LEU A C 1 ATOM 450 O O . LEU A 1 68 ? -0.561 -16.278 -8.977 1.00 48.41 ? 68 LEU A O 1 ATOM 451 C CB . LEU A 1 68 ? -2.737 -14.388 -10.581 1.00 38.66 ? 68 LEU A CB 1 ATOM 452 C CG . LEU A 1 68 ? -3.374 -13.724 -11.801 1.00 38.87 ? 68 LEU A CG 1 ATOM 453 C CD1 . LEU A 1 68 ? -4.879 -13.629 -11.624 1.00 39.96 ? 68 LEU A CD1 1 ATOM 454 C CD2 . LEU A 1 68 ? -2.772 -12.348 -12.024 1.00 41.67 ? 68 LEU A CD2 1 ATOM 455 N N . ALA A 1 69 ? -0.528 -14.103 -8.385 1.00 46.74 ? 69 ALA A N 1 ATOM 456 C CA . ALA A 1 69 ? -0.196 -14.386 -7.000 1.00 46.09 ? 69 ALA A CA 1 ATOM 457 C C . ALA A 1 69 ? -1.461 -14.722 -6.215 1.00 49.34 ? 69 ALA A C 1 ATOM 458 O O . ALA A 1 69 ? -2.582 -14.415 -6.630 1.00 47.77 ? 69 ALA A O 1 ATOM 459 C CB . ALA A 1 69 ? 0.529 -13.202 -6.361 1.00 48.14 ? 69 ALA A CB 1 ATOM 460 N N . GLU A 1 70 ? -1.268 -15.364 -5.064 1.00 54.32 ? 70 GLU A N 1 ATOM 461 C CA . GLU A 1 70 ? -2.389 -15.851 -4.270 1.00 60.33 ? 70 GLU A CA 1 ATOM 462 C C . GLU A 1 70 ? -3.190 -14.713 -3.649 1.00 61.59 ? 70 GLU A C 1 ATOM 463 O O . GLU A 1 70 ? -4.344 -14.485 -4.024 1.00 63.15 ? 70 GLU A O 1 ATOM 464 C CB . GLU A 1 70 ? -1.892 -16.801 -3.178 1.00 64.74 ? 70 GLU A CB 1 ATOM 465 C CG . GLU A 1 70 ? -2.337 -18.243 -3.361 1.00 70.35 ? 70 GLU A CG 1 ATOM 466 C CD . GLU A 1 70 ? -3.820 -18.438 -3.106 1.00 74.72 ? 70 GLU A CD 1 ATOM 467 O OE1 . GLU A 1 70 ? -4.421 -17.598 -2.404 1.00 74.64 ? 70 GLU A OE1 1 ATOM 468 O OE2 . GLU A 1 70 ? -4.384 -19.433 -3.608 1.00 74.21 -1 70 GLU A OE2 1 ATOM 469 N N . GLU A 1 71 ? -2.590 -13.993 -2.702 1.00 60.08 ? 71 GLU A N 1 ATOM 470 C CA . GLU A 1 71 ? -3.310 -13.004 -1.909 1.00 59.66 ? 71 GLU A CA 1 ATOM 471 C C . GLU A 1 71 ? -3.017 -11.567 -2.326 1.00 63.28 ? 71 GLU A C 1 ATOM 472 O O . GLU A 1 71 ? -3.949 -10.783 -2.529 1.00 64.00 ? 71 GLU A O 1 ATOM 473 C CB . GLU A 1 71 ? -2.984 -13.192 -0.422 1.00 62.47 ? 71 GLU A CB 1 ATOM 474 C CG . GLU A 1 71 ? -3.432 -14.531 0.143 1.00 68.44 ? 71 GLU A CG 1 ATOM 475 C CD . GLU A 1 71 ? -3.060 -14.704 1.603 1.00 81.53 ? 71 GLU A CD 1 ATOM 476 O OE1 . GLU A 1 71 ? -2.254 -13.898 2.113 1.00 78.81 ? 71 GLU A OE1 1 ATOM 477 O OE2 . GLU A 1 71 ? -3.575 -15.646 2.241 1.00 85.55 -1 71 GLU A OE2 1 ATOM 478 N N . GLU A 1 72 ? -1.744 -11.200 -2.456 1.00 61.38 ? 72 GLU A N 1 ATOM 479 C CA . GLU A 1 72 ? -1.364 -9.818 -2.714 1.00 54.83 ? 72 GLU A CA 1 ATOM 480 C C . GLU A 1 72 ? -0.250 -9.784 -3.752 1.00 49.01 ? 72 GLU A C 1 ATOM 481 O O . GLU A 1 72 ? 0.245 -10.822 -4.202 1.00 46.64 ? 72 GLU A O 1 ATOM 482 C CB . GLU A 1 72 ? -0.933 -9.120 -1.419 1.00 55.54 ? 72 GLU A CB 1 ATOM 483 C CG . GLU A 1 72 ? 0.160 -9.857 -0.665 1.00 58.16 ? 72 GLU A CG 1 ATOM 484 C CD . GLU A 1 72 ? 0.513 -9.191 0.647 1.00 60.48 ? 72 GLU A CD 1 ATOM 485 O OE1 . GLU A 1 72 ? 0.122 -8.021 0.846 1.00 58.76 ? 72 GLU A OE1 1 ATOM 486 O OE2 . GLU A 1 72 ? 1.180 -9.837 1.482 1.00 60.72 -1 72 GLU A OE2 1 ATOM 487 N N . VAL A 1 73 ? 0.145 -8.568 -4.133 1.00 46.73 ? 73 VAL A N 1 ATOM 488 C CA . VAL A 1 73 ? 1.217 -8.391 -5.103 1.00 46.21 ? 73 VAL A CA 1 ATOM 489 C C . VAL A 1 73 ? 2.541 -8.820 -4.486 1.00 45.22 ? 73 VAL A C 1 ATOM 490 O O . VAL A 1 73 ? 2.852 -8.486 -3.334 1.00 44.75 ? 73 VAL A O 1 ATOM 491 C CB . VAL A 1 73 ? 1.271 -6.929 -5.581 1.00 47.51 ? 73 VAL A CB 1 ATOM 492 C CG1 . VAL A 1 73 ? 2.449 -6.712 -6.520 1.00 47.46 ? 73 VAL A CG1 1 ATOM 493 C CG2 . VAL A 1 73 ? -0.032 -6.547 -6.262 1.00 49.54 ? 73 VAL A CG2 1 ATOM 494 N N . VAL A 1 74 ? 3.329 -9.571 -5.252 1.00 43.35 ? 74 VAL A N 1 ATOM 495 C CA . VAL A 1 74 ? 4.635 -10.046 -4.815 1.00 45.72 ? 74 VAL A CA 1 ATOM 496 C C . VAL A 1 74 ? 5.675 -9.606 -5.836 1.00 42.66 ? 74 VAL A C 1 ATOM 497 O O . VAL A 1 74 ? 5.412 -9.604 -7.044 1.00 42.08 ? 74 VAL A O 1 ATOM 498 C CB . VAL A 1 74 ? 4.647 -11.580 -4.627 1.00 44.65 ? 74 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 74 ? 4.260 -12.288 -5.918 1.00 45.08 ? 74 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 74 ? 6.005 -12.057 -4.126 1.00 44.59 ? 74 VAL A CG2 1 ATOM 501 N N . ILE A 1 75 ? 6.848 -9.208 -5.348 1.00 46.36 ? 75 ILE A N 1 ATOM 502 C CA . ILE A 1 75 ? 7.955 -8.783 -6.195 1.00 46.58 ? 75 ILE A CA 1 ATOM 503 C C . ILE A 1 75 ? 9.178 -9.618 -5.842 1.00 46.89 ? 75 ILE A C 1 ATOM 504 O O . ILE A 1 75 ? 9.469 -9.835 -4.661 1.00 46.96 ? 75 ILE A O 1 ATOM 505 C CB . ILE A 1 75 ? 8.254 -7.278 -6.042 1.00 48.06 ? 75 ILE A CB 1 ATOM 506 C CG1 . ILE A 1 75 ? 8.433 -6.903 -4.570 1.00 47.58 ? 75 ILE A CG1 1 ATOM 507 C CG2 . ILE A 1 75 ? 7.141 -6.451 -6.666 1.00 48.34 ? 75 ILE A CG2 1 ATOM 508 C CD1 . ILE A 1 75 ? 8.714 -5.433 -4.346 1.00 51.74 ? 75 ILE A CD1 1 ATOM 509 N N . ARG A 1 76 ? 9.884 -10.092 -6.866 1.00 46.49 ? 76 ARG A N 1 ATOM 510 C CA . ARG A 1 76 ? 11.050 -10.943 -6.687 1.00 49.09 ? 76 ARG A CA 1 ATOM 511 C C . ARG A 1 76 ? 12.231 -10.359 -7.449 1.00 49.86 ? 76 ARG A C 1 ATOM 512 O O . ARG A 1 76 ? 12.067 -9.559 -8.375 1.00 46.79 ? 76 ARG A O 1 ATOM 513 C CB . ARG A 1 76 ? 10.781 -12.376 -7.165 1.00 49.14 ? 76 ARG A CB 1 ATOM 514 C CG . ARG A 1 76 ? 9.515 -12.994 -6.602 1.00 48.02 ? 76 ARG A CG 1 ATOM 515 C CD . ARG A 1 76 ? 9.244 -14.346 -7.237 1.00 48.77 ? 76 ARG A CD 1 ATOM 516 N NE . ARG A 1 76 ? 7.909 -14.842 -6.918 1.00 47.39 ? 76 ARG A NE 1 ATOM 517 C CZ . ARG A 1 76 ? 6.817 -14.539 -7.612 1.00 44.77 ? 76 ARG A CZ 1 ATOM 518 N NH1 . ARG A 1 76 ? 6.899 -13.737 -8.665 1.00 42.09 ? 76 ARG A NH1 1 ATOM 519 N NH2 . ARG A 1 76 ? 5.643 -15.038 -7.253 1.00 46.94 ? 76 ARG A NH2 1 ATOM 520 N N . SER A 1 77 ? 13.429 -10.778 -7.050 1.00 53.17 ? 77 SER A N 1 ATOM 521 C CA . SER A 1 77 ? 14.655 -10.323 -7.688 1.00 52.75 ? 77 SER A CA 1 ATOM 522 C C . SER A 1 77 ? 15.791 -11.254 -7.292 1.00 50.68 ? 77 SER A C 1 ATOM 523 O O . SER A 1 77 ? 15.873 -11.682 -6.138 1.00 56.91 ? 77 SER A O 1 ATOM 524 C CB . SER A 1 77 ? 14.992 -8.880 -7.292 1.00 52.88 ? 77 SER A CB 1 ATOM 525 O OG . SER A 1 77 ? 16.234 -8.476 -7.843 1.00 52.47 ? 77 SER A OG 1 ATOM 526 N N . GLU A 1 78 ? 16.659 -11.567 -8.258 1.00 54.65 ? 78 GLU A N 1 ATOM 527 C CA . GLU A 1 78 ? 17.845 -12.357 -7.947 1.00 57.28 ? 78 GLU A CA 1 ATOM 528 C C . GLU A 1 78 ? 18.767 -11.618 -6.988 1.00 55.97 ? 78 GLU A C 1 ATOM 529 O O . GLU A 1 78 ? 19.465 -12.248 -6.186 1.00 57.07 ? 78 GLU A O 1 ATOM 530 C CB . GLU A 1 78 ? 18.599 -12.713 -9.230 1.00 61.70 ? 78 GLU A CB 1 ATOM 531 C CG . GLU A 1 78 ? 17.796 -13.526 -10.231 1.00 62.75 ? 78 GLU A CG 1 ATOM 532 C CD . GLU A 1 78 ? 18.614 -13.910 -11.450 1.00 69.23 ? 78 GLU A CD 1 ATOM 533 O OE1 . GLU A 1 78 ? 19.854 -13.772 -11.402 1.00 68.42 ? 78 GLU A OE1 1 ATOM 534 O OE2 . GLU A 1 78 ? 18.017 -14.349 -12.456 1.00 70.77 ? 78 GLU A OE2 1 ATOM 535 N N . ASP A 1 79 ? 18.778 -10.287 -7.052 1.00 56.37 ? 79 ASP A N 1 ATOM 536 C CA . ASP A 1 79 ? 19.623 -9.481 -6.174 1.00 56.48 ? 79 ASP A CA 1 ATOM 537 C C . ASP A 1 79 ? 19.064 -8.065 -6.165 1.00 57.41 ? 79 ASP A C 1 ATOM 538 O O . ASP A 1 79 ? 19.156 -7.359 -7.174 1.00 60.37 ? 79 ASP A O 1 ATOM 539 C CB . ASP A 1 79 ? 21.072 -9.502 -6.646 1.00 57.34 ? 79 ASP A CB 1 ATOM 540 C CG . ASP A 1 79 ? 21.982 -8.655 -5.777 1.00 58.35 ? 79 ASP A CG 1 ATOM 541 O OD1 . ASP A 1 79 ? 21.659 -8.458 -4.587 1.00 59.74 ? 79 ASP A OD1 1 ATOM 542 O OD2 . ASP A 1 79 ? 23.023 -8.189 -6.285 1.00 58.21 ? 79 ASP A OD2 1 ATOM 543 N N . TRP A 1 80 ? 18.485 -7.656 -5.033 1.00 56.89 ? 80 TRP A N 1 ATOM 544 C CA . TRP A 1 80 ? 17.953 -6.303 -4.920 1.00 55.69 ? 80 TRP A CA 1 ATOM 545 C C . TRP A 1 80 ? 19.050 -5.247 -4.949 1.00 58.44 ? 80 TRP A C 1 ATOM 546 O O . TRP A 1 80 ? 18.760 -4.078 -5.225 1.00 59.45 ? 80 TRP A O 1 ATOM 547 C CB . TRP A 1 80 ? 17.136 -6.158 -3.635 1.00 55.47 ? 80 TRP A CB 1 ATOM 548 C CG . TRP A 1 80 ? 16.050 -7.181 -3.476 1.00 57.78 ? 80 TRP A CG 1 ATOM 549 C CD1 . TRP A 1 80 ? 16.107 -8.326 -2.736 1.00 57.18 ? 80 TRP A CD1 1 ATOM 550 C CD2 . TRP A 1 80 ? 14.743 -7.149 -4.065 1.00 57.70 ? 80 TRP A CD2 1 ATOM 551 N NE1 . TRP A 1 80 ? 14.919 -9.009 -2.829 1.00 57.52 ? 80 TRP A NE1 1 ATOM 552 C CE2 . TRP A 1 80 ? 14.065 -8.308 -3.639 1.00 58.54 ? 80 TRP A CE2 1 ATOM 553 C CE3 . TRP A 1 80 ? 14.083 -6.254 -4.913 1.00 54.10 ? 80 TRP A CE3 1 ATOM 554 C CZ2 . TRP A 1 80 ? 12.759 -8.596 -4.031 1.00 58.82 ? 80 TRP A CZ2 1 ATOM 555 C CZ3 . TRP A 1 80 ? 12.785 -6.541 -5.300 1.00 51.02 ? 80 TRP A CZ3 1 ATOM 556 C CH2 . TRP A 1 80 ? 12.138 -7.702 -4.859 1.00 55.49 ? 80 TRP A CH2 1 ATOM 557 N N . ARG A 1 81 ? 20.298 -5.630 -4.672 1.00 60.00 ? 81 ARG A N 1 ATOM 558 C CA . ARG A 1 81 ? 21.390 -4.663 -4.661 1.00 59.81 ? 81 ARG A CA 1 ATOM 559 C C . ARG A 1 81 ? 21.834 -4.296 -6.072 1.00 58.14 ? 81 ARG A C 1 ATOM 560 O O . ARG A 1 81 ? 22.160 -3.134 -6.339 1.00 58.74 ? 81 ARG A O 1 ATOM 561 C CB . ARG A 1 81 ? 22.569 -5.215 -3.859 1.00 54.18 ? 81 ARG A CB 1 ATOM 562 N N . ASP A 1 82 ? 21.853 -5.266 -6.983 1.00 57.61 ? 82 ASP A N 1 ATOM 563 C CA . ASP A 1 82 ? 22.272 -5.033 -8.359 1.00 57.63 ? 82 ASP A CA 1 ATOM 564 C C . ASP A 1 82 ? 21.076 -4.558 -9.177 1.00 57.46 ? 82 ASP A C 1 ATOM 565 O O . ASP A 1 82 ? 20.073 -5.271 -9.290 1.00 58.40 ? 82 ASP A O 1 ATOM 566 C CB . ASP A 1 82 ? 22.872 -6.303 -8.962 1.00 60.65 ? 82 ASP A CB 1 ATOM 567 C CG . ASP A 1 82 ? 23.332 -6.110 -10.394 1.00 58.98 ? 82 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 82 ? 23.589 -4.953 -10.789 1.00 58.23 ? 82 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 82 ? 23.443 -7.117 -11.125 1.00 54.10 ? 82 ASP A OD2 1 ATOM 570 N N . ASN A 1 83 ? 21.185 -3.355 -9.745 1.00 57.45 ? 83 ASN A N 1 ATOM 571 C CA . ASN A 1 83 ? 20.104 -2.808 -10.555 1.00 56.46 ? 83 ASN A CA 1 ATOM 572 C C . ASN A 1 83 ? 20.029 -3.443 -11.936 1.00 57.64 ? 83 ASN A C 1 ATOM 573 O O . ASN A 1 83 ? 18.966 -3.395 -12.566 1.00 59.99 ? 83 ASN A O 1 ATOM 574 C CB . ASN A 1 83 ? 20.259 -1.292 -10.697 1.00 55.27 ? 83 ASN A CB 1 ATOM 575 C CG . ASN A 1 83 ? 21.411 -0.905 -11.604 1.00 58.21 ? 83 ASN A CG 1 ATOM 576 O OD1 . ASN A 1 83 ? 21.248 -0.793 -12.820 1.00 62.48 ? 83 ASN A OD1 1 ATOM 577 N ND2 . ASN A 1 83 ? 22.583 -0.697 -11.017 1.00 55.15 ? 83 ASN A ND2 1 ATOM 578 N N . ALA A 1 84 ? 21.129 -4.024 -12.424 1.00 58.49 ? 84 ALA A N 1 ATOM 579 C CA . ALA A 1 84 ? 21.085 -4.735 -13.697 1.00 59.44 ? 84 ALA A CA 1 ATOM 580 C C . ALA A 1 84 ? 20.128 -5.917 -13.637 1.00 58.14 ? 84 ALA A C 1 ATOM 581 O O . ALA A 1 84 ? 19.553 -6.305 -14.661 1.00 62.47 ? 84 ALA A O 1 ATOM 582 C CB . ALA A 1 84 ? 22.486 -5.199 -14.092 1.00 59.03 ? 84 ALA A CB 1 ATOM 583 N N . LYS A 1 85 ? 19.948 -6.502 -12.456 1.00 58.87 ? 85 LYS A N 1 ATOM 584 C CA . LYS A 1 85 ? 18.925 -7.520 -12.275 1.00 57.34 ? 85 LYS A CA 1 ATOM 585 C C . LYS A 1 85 ? 17.545 -6.873 -12.287 1.00 56.60 ? 85 LYS A C 1 ATOM 586 O O . LYS A 1 85 ? 17.322 -5.834 -11.660 1.00 55.75 ? 85 LYS A O 1 ATOM 587 C CB . LYS A 1 85 ? 19.145 -8.273 -10.964 1.00 58.40 ? 85 LYS A CB 1 ATOM 588 C CG . LYS A 1 85 ? 20.496 -8.963 -10.864 1.00 61.75 ? 85 LYS A CG 1 ATOM 589 C CD . LYS A 1 85 ? 20.673 -9.990 -11.970 1.00 62.56 ? 85 LYS A CD 1 ATOM 590 C CE . LYS A 1 85 ? 22.024 -10.678 -11.878 1.00 68.50 ? 85 LYS A CE 1 ATOM 591 N NZ . LYS A 1 85 ? 22.195 -11.700 -12.946 1.00 73.66 ? 85 LYS A NZ 1 ATOM 592 N N . SER A 1 86 ? 16.619 -7.490 -13.012 1.00 53.78 ? 86 SER A N 1 ATOM 593 C CA . SER A 1 86 ? 15.292 -6.924 -13.194 1.00 51.73 ? 86 SER A CA 1 ATOM 594 C C . SER A 1 86 ? 14.341 -7.403 -12.105 1.00 50.57 ? 86 SER A C 1 ATOM 595 O O . SER A 1 86 ? 14.462 -8.516 -11.588 1.00 51.78 ? 86 SER A O 1 ATOM 596 C CB . SER A 1 86 ? 14.738 -7.291 -14.571 1.00 55.35 ? 86 SER A CB 1 ATOM 597 O OG . SER A 1 86 ? 15.591 -6.828 -15.603 1.00 55.84 ? 86 SER A OG 1 ATOM 598 N N . ILE A 1 87 ? 13.386 -6.543 -11.764 1.00 48.35 ? 87 ILE A N 1 ATOM 599 C CA . ILE A 1 87 ? 12.400 -6.837 -10.731 1.00 47.68 ? 87 ILE A CA 1 ATOM 600 C C . ILE A 1 87 ? 11.176 -7.457 -11.390 1.00 47.27 ? 87 ILE A C 1 ATOM 601 O O . ILE A 1 87 ? 10.588 -6.872 -12.306 1.00 48.39 ? 87 ILE A O 1 ATOM 602 C CB . ILE A 1 87 ? 12.021 -5.571 -9.948 1.00 44.39 ? 87 ILE A CB 1 ATOM 603 C CG1 . ILE A 1 87 ? 13.245 -5.008 -9.227 1.00 43.72 ? 87 ILE A CG1 1 ATOM 604 C CG2 . ILE A 1 87 ? 10.900 -5.869 -8.962 1.00 43.14 ? 87 ILE A CG2 1 ATOM 605 C CD1 . ILE A 1 87 ? 12.942 -3.799 -8.378 1.00 40.96 ? 87 ILE A CD1 1 ATOM 606 N N . CYS A 1 88 ? 10.789 -8.639 -10.920 1.00 46.83 ? 88 CYS A N 1 ATOM 607 C CA . CYS A 1 88 ? 9.634 -9.352 -11.452 1.00 44.71 ? 88 CYS A CA 1 ATOM 608 C C . CYS A 1 88 ? 8.430 -9.067 -10.564 1.00 42.69 ? 88 CYS A C 1 ATOM 609 O O . CYS A 1 88 ? 8.372 -9.522 -9.417 1.00 44.20 ? 88 CYS A O 1 ATOM 610 C CB . CYS A 1 88 ? 9.919 -10.848 -11.531 1.00 46.67 ? 88 CYS A CB 1 ATOM 611 S SG . CYS A 1 88 ? 11.352 -11.270 -12.542 1.00 62.92 ? 88 CYS A SG 1 ATOM 612 N N . VAL A 1 89 ? 7.472 -8.312 -11.091 1.00 40.69 ? 89 VAL A N 1 ATOM 613 C CA . VAL A 1 89 ? 6.244 -7.979 -10.379 1.00 40.56 ? 89 VAL A CA 1 ATOM 614 C C . VAL A 1 89 ? 5.160 -8.948 -10.827 1.00 40.20 ? 89 VAL A C 1 ATOM 615 O O . VAL A 1 89 ? 4.865 -9.050 -12.023 1.00 40.41 ? 89 VAL A O 1 ATOM 616 C CB . VAL A 1 89 ? 5.821 -6.525 -10.633 1.00 39.86 ? 89 VAL A CB 1 ATOM 617 C CG1 . VAL A 1 89 ? 4.514 -6.224 -9.920 1.00 42.50 ? 89 VAL A CG1 1 ATOM 618 C CG2 . VAL A 1 89 ? 6.915 -5.565 -10.189 1.00 39.85 ? 89 VAL A CG2 1 ATOM 619 N N . GLN A 1 90 ? 4.571 -9.663 -9.873 1.00 40.13 ? 90 GLN A N 1 ATOM 620 C CA . GLN A 1 90 ? 3.472 -10.583 -10.138 1.00 41.41 ? 90 GLN A CA 1 ATOM 621 C C . GLN A 1 90 ? 2.210 -10.030 -9.490 1.00 41.39 ? 90 GLN A C 1 ATOM 622 O O . GLN A 1 90 ? 2.164 -9.852 -8.267 1.00 41.34 ? 90 GLN A O 1 ATOM 623 C CB . GLN A 1 90 ? 3.779 -11.983 -9.608 1.00 41.75 ? 90 GLN A CB 1 ATOM 624 C CG . GLN A 1 90 ? 2.732 -13.022 -9.984 1.00 43.47 ? 90 GLN A CG 1 ATOM 625 C CD . GLN A 1 90 ? 2.978 -14.368 -9.331 1.00 39.51 ? 90 GLN A CD 1 ATOM 626 O OE1 . GLN A 1 90 ? 3.638 -14.458 -8.296 1.00 40.53 ? 90 GLN A OE1 1 ATOM 627 N NE2 . GLN A 1 90 ? 2.446 -15.425 -9.935 1.00 39.51 ? 90 GLN A NE2 1 ATOM 628 N N . LEU A 1 91 ? 1.196 -9.761 -10.305 1.00 42.08 ? 91 LEU A N 1 ATOM 629 C CA . LEU A 1 91 ? -0.046 -9.199 -9.799 1.00 44.82 ? 91 LEU A CA 1 ATOM 630 C C . LEU A 1 91 ? -0.898 -10.276 -9.140 1.00 45.01 ? 91 LEU A C 1 ATOM 631 O O . LEU A 1 91 ? -0.835 -11.456 -9.496 1.00 46.33 ? 91 LEU A O 1 ATOM 632 C CB . LEU A 1 91 ? -0.838 -8.537 -10.926 1.00 44.36 ? 91 LEU A CB 1 ATOM 633 C CG . LEU A 1 91 ? -0.113 -7.474 -11.751 1.00 38.59 ? 91 LEU A CG 1 ATOM 634 C CD1 . LEU A 1 91 ? -1.093 -6.756 -12.665 1.00 40.39 ? 91 LEU A CD1 1 ATOM 635 C CD2 . LEU A 1 91 ? 0.609 -6.487 -10.848 1.00 39.07 ? 91 LEU A CD2 1 ATOM 636 N N . ALA A 1 92 ? -1.699 -9.855 -8.162 1.00 45.05 ? 92 ALA A N 1 ATOM 637 C CA . ALA A 1 92 ? -2.674 -10.742 -7.542 1.00 46.51 ? 92 ALA A CA 1 ATOM 638 C C . ALA A 1 92 ? -3.998 -10.733 -8.293 1.00 48.38 ? 92 ALA A C 1 ATOM 639 O O . ALA A 1 92 ? -4.622 -11.786 -8.464 1.00 50.19 ? 92 ALA A O 1 ATOM 640 C CB . ALA A 1 92 ? -2.898 -10.345 -6.081 1.00 50.19 ? 92 ALA A CB 1 ATOM 641 N N . THR A 1 93 ? -4.436 -9.561 -8.744 1.00 48.98 ? 93 THR A N 1 ATOM 642 C CA . THR A 1 93 ? -5.626 -9.415 -9.572 1.00 48.35 ? 93 THR A CA 1 ATOM 643 C C . THR A 1 93 ? -5.191 -8.919 -10.945 1.00 50.05 ? 93 THR A C 1 ATOM 644 O O . THR A 1 93 ? -4.625 -7.827 -11.062 1.00 48.80 ? 93 THR A O 1 ATOM 645 C CB . THR A 1 93 ? -6.625 -8.447 -8.937 1.00 51.43 ? 93 THR A CB 1 ATOM 646 O OG1 . THR A 1 93 ? -6.011 -7.161 -8.779 1.00 55.35 ? 93 THR A OG1 1 ATOM 647 C CG2 . THR A 1 93 ? -7.069 -8.960 -7.576 1.00 50.34 ? 93 THR A CG2 1 ATOM 648 N N . SER A 1 94 ? -5.450 -9.721 -11.976 1.00 48.22 ? 94 SER A N 1 ATOM 649 C CA . SER A 1 94 ? -4.975 -9.398 -13.315 1.00 46.22 ? 94 SER A CA 1 ATOM 650 C C . SER A 1 94 ? -5.740 -8.210 -13.881 1.00 49.38 ? 94 SER A C 1 ATOM 651 O O . SER A 1 94 ? -6.971 -8.158 -13.808 1.00 50.52 ? 94 SER A O 1 ATOM 652 C CB . SER A 1 94 ? -5.123 -10.606 -14.240 1.00 50.44 ? 94 SER A CB 1 ATOM 653 O OG . SER A 1 94 ? -6.477 -10.805 -14.604 1.00 56.52 ? 94 SER A OG 1 ATOM 654 N N . VAL A 1 95 ? -5.009 -7.263 -14.457 1.00 49.81 ? 95 VAL A N 1 ATOM 655 C CA . VAL A 1 95 ? -5.607 -6.099 -15.100 1.00 46.76 ? 95 VAL A CA 1 ATOM 656 C C . VAL A 1 95 ? -5.909 -6.446 -16.551 1.00 43.68 ? 95 VAL A C 1 ATOM 657 O O . VAL A 1 95 ? -5.048 -6.969 -17.269 1.00 42.22 ? 95 VAL A O 1 ATOM 658 C CB . VAL A 1 95 ? -4.679 -4.877 -15.004 1.00 46.16 ? 95 VAL A CB 1 ATOM 659 C CG1 . VAL A 1 95 ? -5.386 -3.640 -15.527 1.00 47.64 ? 95 VAL A CG1 1 ATOM 660 C CG2 . VAL A 1 95 ? -4.223 -4.670 -13.570 1.00 43.13 ? 95 VAL A CG2 1 ATOM 661 N N . GLU A 1 96 ? -7.134 -6.158 -16.984 1.00 45.62 ? 96 GLU A N 1 ATOM 662 C CA . GLU A 1 96 ? -7.567 -6.513 -18.328 1.00 47.57 ? 96 GLU A CA 1 ATOM 663 C C . GLU A 1 96 ? -7.139 -5.445 -19.326 1.00 45.98 ? 96 GLU A C 1 ATOM 664 O O . GLU A 1 96 ? -7.361 -4.251 -19.106 1.00 45.30 ? 96 GLU A O 1 ATOM 665 C CB . GLU A 1 96 ? -9.085 -6.688 -18.370 1.00 47.42 ? 96 GLU A CB 1 ATOM 666 C CG . GLU A 1 96 ? -9.615 -7.178 -19.708 1.00 52.42 ? 96 GLU A CG 1 ATOM 667 C CD . GLU A 1 96 ? -11.121 -7.040 -19.827 1.00 63.06 ? 96 GLU A CD 1 ATOM 668 O OE1 . GLU A 1 96 ? -11.646 -5.951 -19.514 1.00 66.64 ? 96 GLU A OE1 1 ATOM 669 O OE2 . GLU A 1 96 ? -11.780 -8.021 -20.232 1.00 70.05 ? 96 GLU A OE2 1 ATOM 670 N N . ILE A 1 97 ? -6.521 -5.879 -20.421 1.00 42.63 ? 97 ILE A N 1 ATOM 671 C CA . ILE A 1 97 ? -6.197 -5.012 -21.548 1.00 41.46 ? 97 ILE A CA 1 ATOM 672 C C . ILE A 1 97 ? -7.085 -5.430 -22.713 1.00 43.96 ? 97 ILE A C 1 ATOM 673 O O . ILE A 1 97 ? -7.070 -6.595 -23.130 1.00 46.46 ? 97 ILE A O 1 ATOM 674 C CB . ILE A 1 97 ? -4.706 -5.081 -21.916 1.00 40.45 ? 97 ILE A CB 1 ATOM 675 C CG1 . ILE A 1 97 ? -4.449 -4.361 -23.242 1.00 38.44 ? 97 ILE A CG1 1 ATOM 676 C CG2 . ILE A 1 97 ? -4.215 -6.526 -21.960 1.00 39.73 ? 97 ILE A CG2 1 ATOM 677 C CD1 . ILE A 1 97 ? -2.985 -4.264 -23.612 1.00 33.99 ? 97 ILE A CD1 1 ATOM 678 N N . ALA A 1 98 ? -7.871 -4.487 -23.227 1.00 39.56 ? 98 ALA A N 1 ATOM 679 C CA . ALA A 1 98 ? -8.888 -4.773 -24.233 1.00 41.60 ? 98 ALA A CA 1 ATOM 680 C C . ALA A 1 98 ? -8.536 -4.048 -25.524 1.00 45.20 ? 98 ALA A C 1 ATOM 681 O O . ALA A 1 98 ? -8.603 -2.815 -25.589 1.00 50.26 ? 98 ALA A O 1 ATOM 682 C CB . ALA A 1 98 ? -10.274 -4.363 -23.737 1.00 40.98 ? 98 ALA A CB 1 ATOM 683 N N . CYS A 1 99 ? -8.166 -4.811 -26.548 1.00 45.22 ? 99 CYS A N 1 ATOM 684 C CA . CYS A 1 99 ? -7.937 -4.265 -27.876 1.00 44.83 ? 99 CYS A CA 1 ATOM 685 C C . CYS A 1 99 ? -9.252 -4.235 -28.643 1.00 47.98 ? 99 CYS A C 1 ATOM 686 O O . CYS A 1 99 ? -10.077 -5.144 -28.519 1.00 50.71 ? 99 CYS A O 1 ATOM 687 C CB . CYS A 1 99 ? -6.897 -5.096 -28.628 1.00 46.43 ? 99 CYS A CB 1 ATOM 688 S SG . CYS A 1 99 ? -5.321 -5.281 -27.753 1.00 47.32 ? 99 CYS A SG 1 ATOM 689 N N . THR A 1 100 ? -9.449 -3.175 -29.426 1.00 50.23 ? 100 THR A N 1 ATOM 690 C CA . THR A 1 100 ? -10.707 -2.966 -30.131 1.00 47.47 ? 100 THR A CA 1 ATOM 691 C C . THR A 1 100 ? -10.631 -3.289 -31.617 1.00 50.83 ? 100 THR A C 1 ATOM 692 O O . THR A 1 100 ? -11.672 -3.307 -32.282 1.00 53.12 ? 100 THR A O 1 ATOM 693 C CB . THR A 1 100 ? -11.177 -1.515 -29.960 1.00 46.69 ? 100 THR A CB 1 ATOM 694 O OG1 . THR A 1 100 ? -10.255 -0.632 -30.612 1.00 44.07 ? 100 THR A OG1 1 ATOM 695 C CG2 . THR A 1 100 ? -11.261 -1.152 -28.486 1.00 48.82 ? 100 THR A CG2 1 ATOM 696 N N . GLY A 1 101 ? -9.438 -3.544 -32.151 1.00 50.34 ? 101 GLY A N 1 ATOM 697 C CA . GLY A 1 101 ? -9.272 -3.754 -33.572 1.00 47.94 ? 101 GLY A CA 1 ATOM 698 C C . GLY A 1 101 ? -9.165 -2.490 -34.394 1.00 48.32 ? 101 GLY A C 1 ATOM 699 O O . GLY A 1 101 ? -8.879 -2.575 -35.595 1.00 52.37 ? 101 GLY A O 1 ATOM 700 N N . ALA A 1 102 ? -9.387 -1.322 -33.795 1.00 44.02 ? 102 ALA A N 1 ATOM 701 C CA . ALA A 1 102 ? -9.255 -0.046 -34.481 1.00 46.23 ? 102 ALA A CA 1 ATOM 702 C C . ALA A 1 102 ? -7.871 0.569 -34.313 1.00 48.53 ? 102 ALA A C 1 ATOM 703 O O . ALA A 1 102 ? -7.679 1.739 -34.661 1.00 49.24 ? 102 ALA A O 1 ATOM 704 C CB . ALA A 1 102 ? -10.323 0.932 -33.985 1.00 46.97 ? 102 ALA A CB 1 ATOM 705 N N . GLY A 1 103 ? -6.911 -0.187 -33.790 1.00 47.28 ? 103 GLY A N 1 ATOM 706 C CA . GLY A 1 103 ? -5.569 0.307 -33.582 1.00 45.35 ? 103 GLY A CA 1 ATOM 707 C C . GLY A 1 103 ? -5.230 0.702 -32.163 1.00 44.78 ? 103 GLY A C 1 ATOM 708 O O . GLY A 1 103 ? -4.162 1.285 -31.942 1.00 43.75 ? 103 GLY A O 1 ATOM 709 N N . HIS A 1 104 ? -6.096 0.404 -31.196 1.00 43.62 ? 104 HIS A N 1 ATOM 710 C CA . HIS A 1 104 ? -5.872 0.786 -29.810 1.00 43.52 ? 104 HIS A CA 1 ATOM 711 C C . HIS A 1 104 ? -6.304 -0.339 -28.883 1.00 45.15 ? 104 HIS A C 1 ATOM 712 O O . HIS A 1 104 ? -7.334 -0.981 -29.108 1.00 45.60 ? 104 HIS A O 1 ATOM 713 C CB . HIS A 1 104 ? -6.637 2.067 -29.450 1.00 45.63 ? 104 HIS A CB 1 ATOM 714 C CG . HIS A 1 104 ? -6.311 3.236 -30.325 1.00 49.57 ? 104 HIS A CG 1 ATOM 715 N ND1 . HIS A 1 104 ? -6.881 3.419 -31.567 1.00 52.35 ? 104 HIS A ND1 1 ATOM 716 C CD2 . HIS A 1 104 ? -5.476 4.285 -30.137 1.00 48.33 ? 104 HIS A CD2 1 ATOM 717 C CE1 . HIS A 1 104 ? -6.411 4.529 -32.106 1.00 49.95 ? 104 HIS A CE1 1 ATOM 718 N NE2 . HIS A 1 104 ? -5.556 5.074 -31.259 1.00 51.16 ? 104 HIS A NE2 1 ATOM 719 N N . CYS A 1 105 ? -5.509 -0.571 -27.842 1.00 45.31 ? 105 CYS A N 1 ATOM 720 C CA . CYS A 1 105 ? -5.861 -1.477 -26.758 1.00 43.96 ? 105 CYS A CA 1 ATOM 721 C C . CYS A 1 105 ? -6.068 -0.659 -25.491 1.00 42.23 ? 105 CYS A C 1 ATOM 722 O O . CYS A 1 105 ? -5.181 0.103 -25.089 1.00 42.37 ? 105 CYS A O 1 ATOM 723 C CB . CYS A 1 105 ? -4.778 -2.537 -26.545 1.00 45.00 ? 105 CYS A CB 1 ATOM 724 S SG . CYS A 1 105 ? -4.388 -3.499 -28.026 1.00 47.50 ? 105 CYS A SG 1 ATOM 725 N N . ALA A 1 106 ? -7.234 -0.814 -24.872 1.00 41.11 ? 106 ALA A N 1 ATOM 726 C CA . ALA A 1 106 ? -7.663 0.038 -23.774 1.00 39.07 ? 106 ALA A CA 1 ATOM 727 C C . ALA A 1 106 ? -7.586 -0.697 -22.441 1.00 40.44 ? 106 ALA A C 1 ATOM 728 O O . ALA A 1 106 ? -7.788 -1.913 -22.366 1.00 41.72 ? 106 ALA A O 1 ATOM 729 C CB . ALA A 1 106 ? -9.091 0.543 -24.002 1.00 40.47 ? 106 ALA A CB 1 ATOM 730 N N . ILE A 1 107 ? -7.294 0.063 -21.386 1.00 41.71 ? 107 ILE A N 1 ATOM 731 C CA . ILE A 1 107 ? -7.210 -0.454 -20.024 1.00 40.17 ? 107 ILE A CA 1 ATOM 732 C C . ILE A 1 107 ? -7.912 0.530 -19.097 1.00 44.22 ? 107 ILE A C 1 ATOM 733 O O . ILE A 1 107 ? -7.824 1.747 -19.288 1.00 49.34 ? 107 ILE A O 1 ATOM 734 C CB . ILE A 1 107 ? -5.745 -0.668 -19.583 1.00 38.13 ? 107 ILE A CB 1 ATOM 735 C CG1 . ILE A 1 107 ? -5.045 -1.680 -20.489 1.00 44.05 ? 107 ILE A CG1 1 ATOM 736 C CG2 . ILE A 1 107 ? -5.673 -1.130 -18.136 1.00 44.09 ? 107 ILE A CG2 1 ATOM 737 C CD1 . ILE A 1 107 ? -3.583 -1.876 -20.161 1.00 46.91 ? 107 ILE A CD1 1 ATOM 738 N N . SER A 1 108 ? -8.616 0.002 -18.097 1.00 41.78 ? 108 SER A N 1 ATOM 739 C CA . SER A 1 108 ? -9.258 0.854 -17.104 1.00 46.66 ? 108 SER A CA 1 ATOM 740 C C . SER A 1 108 ? -8.204 1.587 -16.283 1.00 46.50 ? 108 SER A C 1 ATOM 741 O O . SER A 1 108 ? -7.278 0.971 -15.745 1.00 43.75 ? 108 SER A O 1 ATOM 742 C CB . SER A 1 108 ? -10.161 0.024 -16.193 1.00 51.32 ? 108 SER A CB 1 ATOM 743 O OG . SER A 1 108 ? -9.411 -0.927 -15.458 1.00 55.69 ? 108 SER A OG 1 ATOM 744 N N . ARG A 1 109 ? -8.349 2.911 -16.187 1.00 47.45 ? 109 ARG A N 1 ATOM 745 C CA . ARG A 1 109 ? -7.352 3.722 -15.495 1.00 45.06 ? 109 ARG A CA 1 ATOM 746 C C . ARG A 1 109 ? -7.364 3.463 -13.994 1.00 43.86 ? 109 ARG A C 1 ATOM 747 O O . ARG A 1 109 ? -6.305 3.430 -13.356 1.00 43.78 ? 109 ARG A O 1 ATOM 748 C CB . ARG A 1 109 ? -7.599 5.202 -15.779 1.00 46.39 ? 109 ARG A CB 1 ATOM 749 C CG . ARG A 1 109 ? -6.636 6.145 -15.079 1.00 47.31 ? 109 ARG A CG 1 ATOM 750 C CD . ARG A 1 109 ? -7.086 7.583 -15.249 1.00 49.04 ? 109 ARG A CD 1 ATOM 751 N NE . ARG A 1 109 ? -7.469 7.858 -16.630 1.00 53.28 ? 109 ARG A NE 1 ATOM 752 C CZ . ARG A 1 109 ? -6.651 8.363 -17.546 1.00 53.52 ? 109 ARG A CZ 1 ATOM 753 N NH1 . ARG A 1 109 ? -7.087 8.576 -18.780 1.00 54.18 ? 109 ARG A NH1 1 ATOM 754 N NH2 . ARG A 1 109 ? -5.400 8.661 -17.227 1.00 52.37 ? 109 ARG A NH2 1 ATOM 755 N N . ALA A 1 110 ? -8.552 3.280 -13.413 1.00 44.21 ? 110 ALA A N 1 ATOM 756 C CA . ALA A 1 110 ? -8.656 3.137 -11.964 1.00 41.33 ? 110 ALA A CA 1 ATOM 757 C C . ALA A 1 110 ? -7.969 1.868 -11.476 1.00 44.26 ? 110 ALA A C 1 ATOM 758 O O . ALA A 1 110 ? -7.298 1.877 -10.437 1.00 47.91 ? 110 ALA A O 1 ATOM 759 C CB . ALA A 1 110 ? -10.125 3.148 -11.542 1.00 42.73 ? 110 ALA A CB 1 ATOM 760 N N . LYS A 1 111 ? -8.122 0.764 -12.211 1.00 42.79 ? 111 LYS A N 1 ATOM 761 C CA . LYS A 1 111 ? -7.525 -0.494 -11.776 1.00 43.74 ? 111 LYS A CA 1 ATOM 762 C C . LYS A 1 111 ? -6.007 -0.461 -11.905 1.00 44.47 ? 111 LYS A C 1 ATOM 763 O O . LYS A 1 111 ? -5.295 -0.994 -11.046 1.00 44.75 ? 111 LYS A O 1 ATOM 764 C CB . LYS A 1 111 ? -8.109 -1.657 -12.576 1.00 47.21 ? 111 LYS A CB 1 ATOM 765 C CG . LYS A 1 111 ? -7.677 -3.025 -12.078 1.00 44.88 ? 111 LYS A CG 1 ATOM 766 C CD . LYS A 1 111 ? -8.322 -4.136 -12.887 1.00 49.74 ? 111 LYS A CD 1 ATOM 767 C CE . LYS A 1 111 ? -7.966 -5.500 -12.325 1.00 54.64 ? 111 LYS A CE 1 ATOM 768 N NZ . LYS A 1 111 ? -8.603 -6.601 -13.099 1.00 53.89 ? 111 LYS A NZ 1 ATOM 769 N N . TRP A 1 112 ? -5.492 0.157 -12.971 1.00 44.09 ? 112 TRP A N 1 ATOM 770 C CA . TRP A 1 112 ? -4.046 0.267 -13.124 1.00 43.57 ? 112 TRP A CA 1 ATOM 771 C C . TRP A 1 112 ? -3.443 1.193 -12.076 1.00 46.47 ? 112 TRP A C 1 ATOM 772 O O . TRP A 1 112 ? -2.289 1.004 -11.675 1.00 47.16 ? 112 TRP A O 1 ATOM 773 C CB . TRP A 1 112 ? -3.698 0.753 -14.532 1.00 44.29 ? 112 TRP A CB 1 ATOM 774 C CG . TRP A 1 112 ? -2.226 0.744 -14.824 1.00 45.15 ? 112 TRP A CG 1 ATOM 775 C CD1 . TRP A 1 112 ? -1.388 1.820 -14.848 1.00 45.51 ? 112 TRP A CD1 1 ATOM 776 C CD2 . TRP A 1 112 ? -1.418 -0.400 -15.128 1.00 43.41 ? 112 TRP A CD2 1 ATOM 777 N NE1 . TRP A 1 112 ? -0.109 1.418 -15.152 1.00 43.80 ? 112 TRP A NE1 1 ATOM 778 C CE2 . TRP A 1 112 ? -0.101 0.059 -15.327 1.00 43.12 ? 112 TRP A CE2 1 ATOM 779 C CE3 . TRP A 1 112 ? -1.682 -1.768 -15.252 1.00 44.27 ? 112 TRP A CE3 1 ATOM 780 C CZ2 . TRP A 1 112 ? 0.949 -0.800 -15.644 1.00 41.34 ? 112 TRP A CZ2 1 ATOM 781 C CZ3 . TRP A 1 112 ? -0.637 -2.619 -15.567 1.00 47.67 ? 112 TRP A CZ3 1 ATOM 782 C CH2 . TRP A 1 112 ? 0.661 -2.132 -15.759 1.00 43.01 ? 112 TRP A CH2 1 ATOM 783 N N . ALA A 1 113 ? -4.204 2.190 -11.621 1.00 47.67 ? 113 ALA A N 1 ATOM 784 C CA . ALA A 1 113 ? -3.720 3.068 -10.560 1.00 45.97 ? 113 ALA A CA 1 ATOM 785 C C . ALA A 1 113 ? -3.603 2.316 -9.241 1.00 46.86 ? 113 ALA A C 1 ATOM 786 O O . ALA A 1 113 ? -2.604 2.450 -8.524 1.00 48.60 ? 113 ALA A O 1 ATOM 787 C CB . ALA A 1 113 ? -4.647 4.275 -10.414 1.00 46.24 ? 113 ALA A CB 1 ATOM 788 N N . ASN A 1 114 ? -4.620 1.519 -8.902 1.00 45.99 ? 114 ASN A N 1 ATOM 789 C CA . ASN A 1 114 ? -4.541 0.696 -7.700 1.00 48.72 ? 114 ASN A CA 1 ATOM 790 C C . ASN A 1 114 ? -3.424 -0.331 -7.817 1.00 48.67 ? 114 ASN A C 1 ATOM 791 O O . ASN A 1 114 ? -2.724 -0.613 -6.838 1.00 48.93 ? 114 ASN A O 1 ATOM 792 C CB . ASN A 1 114 ? -5.881 0.006 -7.443 1.00 48.33 ? 114 ASN A CB 1 ATOM 793 C CG . ASN A 1 114 ? -5.923 -0.703 -6.104 1.00 54.98 ? 114 ASN A CG 1 ATOM 794 O OD1 . ASN A 1 114 ? -5.292 -0.271 -5.140 1.00 61.89 ? 114 ASN A OD1 1 ATOM 795 N ND2 . ASN A 1 114 ? -6.669 -1.800 -6.038 1.00 58.77 ? 114 ASN A ND2 1 ATOM 796 N N . THR A 1 115 ? -3.241 -0.899 -9.012 1.00 46.41 ? 115 THR A N 1 ATOM 797 C CA . THR A 1 115 ? -2.136 -1.825 -9.236 1.00 45.51 ? 115 THR A CA 1 ATOM 798 C C . THR A 1 115 ? -0.796 -1.134 -9.018 1.00 46.89 ? 115 THR A C 1 ATOM 799 O O . THR A 1 115 ? 0.083 -1.662 -8.326 1.00 47.95 ? 115 THR A O 1 ATOM 800 C CB . THR A 1 115 ? -2.220 -2.410 -10.646 1.00 42.61 ? 115 THR A CB 1 ATOM 801 O OG1 . THR A 1 115 ? -3.352 -3.285 -10.736 1.00 39.95 ? 115 THR A OG1 1 ATOM 802 C CG2 . THR A 1 115 ? -0.956 -3.186 -10.982 1.00 44.84 ? 115 THR A CG2 1 ATOM 803 N N . LEU A 1 116 ? -0.625 0.058 -9.595 1.00 47.01 ? 116 LEU A N 1 ATOM 804 C CA . LEU A 1 116 ? 0.617 0.799 -9.398 1.00 47.32 ? 116 LEU A CA 1 ATOM 805 C C . LEU A 1 116 ? 0.809 1.198 -7.941 1.00 48.07 ? 116 LEU A C 1 ATOM 806 O O . LEU A 1 116 ? 1.948 1.321 -7.478 1.00 49.05 ? 116 LEU A O 1 ATOM 807 C CB . LEU A 1 116 ? 0.644 2.040 -10.291 1.00 47.54 ? 116 LEU A CB 1 ATOM 808 C CG . LEU A 1 116 ? 0.835 1.832 -11.793 1.00 45.10 ? 116 LEU A CG 1 ATOM 809 C CD1 . LEU A 1 116 ? 0.925 3.175 -12.501 1.00 47.46 ? 116 LEU A CD1 1 ATOM 810 C CD2 . LEU A 1 116 ? 2.071 0.991 -12.070 1.00 46.28 ? 116 LEU A CD2 1 ATOM 811 N N . LYS A 1 117 ? -0.285 1.405 -7.202 1.00 49.27 ? 117 LYS A N 1 ATOM 812 C CA . LYS A 1 117 ? -0.154 1.747 -5.790 1.00 48.92 ? 117 LYS A CA 1 ATOM 813 C C . LYS A 1 117 ? 0.229 0.526 -4.964 1.00 49.30 ? 117 LYS A C 1 ATOM 814 O O . LYS A 1 117 ? 1.026 0.631 -4.023 1.00 50.43 ? 117 LYS A O 1 ATOM 815 C CB . LYS A 1 117 ? -1.451 2.365 -5.268 1.00 50.54 ? 117 LYS A CB 1 ATOM 816 C CG . LYS A 1 117 ? -1.235 3.358 -4.135 1.00 55.94 ? 117 LYS A CG 1 ATOM 817 C CD . LYS A 1 117 ? -2.542 3.778 -3.483 1.00 56.71 ? 117 LYS A CD 1 ATOM 818 C CE . LYS A 1 117 ? -3.096 2.677 -2.595 1.00 67.19 ? 117 LYS A CE 1 ATOM 819 N NZ . LYS A 1 117 ? -4.273 3.138 -1.808 1.00 72.77 ? 117 LYS A NZ 1 ATOM 820 N N . GLN A 1 118 ? -0.329 -0.641 -5.296 1.00 49.45 ? 118 GLN A N 1 ATOM 821 C CA . GLN A 1 118 ? 0.078 -1.871 -4.623 1.00 47.54 ? 118 GLN A CA 1 ATOM 822 C C . GLN A 1 118 ? 1.533 -2.203 -4.928 1.00 49.66 ? 118 GLN A C 1 ATOM 823 O O . GLN A 1 118 ? 2.273 -2.656 -4.047 1.00 51.69 ? 118 GLN A O 1 ATOM 824 C CB . GLN A 1 118 ? -0.834 -3.027 -5.037 1.00 50.06 ? 118 GLN A CB 1 ATOM 825 C CG . GLN A 1 118 ? -2.295 -2.845 -4.655 1.00 49.64 ? 118 GLN A CG 1 ATOM 826 C CD . GLN A 1 118 ? -3.188 -3.924 -5.237 1.00 54.18 ? 118 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 118 ? -4.203 -3.632 -5.870 1.00 55.34 ? 118 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 118 ? -2.817 -5.181 -5.021 1.00 49.03 ? 118 GLN A NE2 1 ATOM 829 N N . ILE A 1 119 ? 1.959 -1.985 -6.175 1.00 51.00 ? 119 ILE A N 1 ATOM 830 C CA . ILE A 1 119 ? 3.360 -2.190 -6.531 1.00 49.45 ? 119 ILE A CA 1 ATOM 831 C C . ILE A 1 119 ? 4.245 -1.195 -5.790 1.00 49.74 ? 119 ILE A C 1 ATOM 832 O O . ILE A 1 119 ? 5.322 -1.548 -5.295 1.00 50.61 ? 119 ILE A O 1 ATOM 833 C CB . ILE A 1 119 ? 3.544 -2.086 -8.057 1.00 44.60 ? 119 ILE A CB 1 ATOM 834 C CG1 . ILE A 1 119 ? 2.774 -3.200 -8.767 1.00 41.15 ? 119 ILE A CG1 1 ATOM 835 C CG2 . ILE A 1 119 ? 5.018 -2.142 -8.427 1.00 43.70 ? 119 ILE A CG2 1 ATOM 836 C CD1 . ILE A 1 119 ? 2.738 -3.049 -10.273 1.00 41.40 ? 119 ILE A CD1 1 ATOM 837 N N . ALA A 1 120 ? 3.799 0.060 -5.695 1.00 47.86 ? 120 ALA A N 1 ATOM 838 C CA . ALA A 1 120 ? 4.583 1.072 -4.994 1.00 48.03 ? 120 ALA A CA 1 ATOM 839 C C . ALA A 1 120 ? 4.727 0.735 -3.516 1.00 50.73 ? 120 ALA A C 1 ATOM 840 O O . ALA A 1 120 ? 5.802 0.916 -2.933 1.00 51.95 ? 120 ALA A O 1 ATOM 841 C CB . ALA A 1 120 ? 3.943 2.449 -5.171 1.00 49.68 ? 120 ALA A CB 1 ATOM 842 N N . SER A 1 121 ? 3.654 0.240 -2.892 1.00 52.75 ? 121 SER A N 1 ATOM 843 C CA . SER A 1 121 ? 3.724 -0.131 -1.482 1.00 52.63 ? 121 SER A CA 1 ATOM 844 C C . SER A 1 121 ? 4.726 -1.256 -1.258 1.00 52.60 ? 121 SER A C 1 ATOM 845 O O . SER A 1 121 ? 5.475 -1.244 -0.274 1.00 54.43 ? 121 SER A O 1 ATOM 846 C CB . SER A 1 121 ? 2.340 -0.536 -0.976 1.00 51.13 ? 121 SER A CB 1 ATOM 847 O OG . SER A 1 121 ? 2.395 -0.956 0.377 1.00 64.85 ? 121 SER A OG 1 ATOM 848 N N . LYS A 1 122 ? 4.755 -2.239 -2.161 1.00 52.78 ? 122 LYS A N 1 ATOM 849 C CA . LYS A 1 122 ? 5.733 -3.315 -2.045 1.00 55.80 ? 122 LYS A CA 1 ATOM 850 C C . LYS A 1 122 ? 7.143 -2.807 -2.318 1.00 53.78 ? 122 LYS A C 1 ATOM 851 O O . LYS A 1 122 ? 8.098 -3.220 -1.649 1.00 56.00 ? 122 LYS A O 1 ATOM 852 C CB . LYS A 1 122 ? 5.376 -4.454 -2.999 1.00 54.72 ? 122 LYS A CB 1 ATOM 853 C CG . LYS A 1 122 ? 4.026 -5.090 -2.718 1.00 54.14 ? 122 LYS A CG 1 ATOM 854 C CD . LYS A 1 122 ? 3.967 -5.647 -1.306 1.00 54.25 ? 122 LYS A CD 1 ATOM 855 C CE . LYS A 1 122 ? 2.598 -6.230 -0.998 1.00 56.96 ? 122 LYS A CE 1 ATOM 856 N NZ . LYS A 1 122 ? 2.534 -6.778 0.384 1.00 61.66 ? 122 LYS A NZ 1 ATOM 857 N N . LEU A 1 123 ? 7.294 -1.910 -3.295 1.00 51.37 ? 123 LEU A N 1 ATOM 858 C CA . LEU A 1 123 ? 8.605 -1.331 -3.568 1.00 52.22 ? 123 LEU A CA 1 ATOM 859 C C . LEU A 1 123 ? 9.054 -0.407 -2.444 1.00 52.19 ? 123 LEU A C 1 ATOM 860 O O . LEU A 1 123 ? 10.259 -0.220 -2.242 1.00 51.56 ? 123 LEU A O 1 ATOM 861 C CB . LEU A 1 123 ? 8.582 -0.582 -4.900 1.00 52.59 ? 123 LEU A CB 1 ATOM 862 C CG . LEU A 1 123 ? 8.418 -1.447 -6.152 1.00 50.54 ? 123 LEU A CG 1 ATOM 863 C CD1 . LEU A 1 123 ? 8.235 -0.579 -7.386 1.00 45.88 ? 123 LEU A CD1 1 ATOM 864 C CD2 . LEU A 1 123 ? 9.609 -2.379 -6.321 1.00 48.40 ? 123 LEU A CD2 1 ATOM 865 N N . ARG A 1 124 ? 8.107 0.180 -1.707 1.00 52.67 ? 124 ARG A N 1 ATOM 866 C CA . ARG A 1 124 ? 8.477 1.008 -0.565 1.00 53.30 ? 124 ARG A CA 1 ATOM 867 C C . ARG A 1 124 ? 9.024 0.160 0.576 1.00 55.44 ? 124 ARG A C 1 ATOM 868 O O . ARG A 1 124 ? 10.004 0.543 1.225 1.00 56.42 ? 124 ARG A O 1 ATOM 869 C CB . ARG A 1 124 ? 7.279 1.837 -0.098 1.00 53.89 ? 124 ARG A CB 1 ATOM 870 C CG . ARG A 1 124 ? 6.993 3.055 -0.963 1.00 58.78 ? 124 ARG A CG 1 ATOM 871 C CD . ARG A 1 124 ? 6.133 4.074 -0.231 1.00 59.74 ? 124 ARG A CD 1 ATOM 872 N NE . ARG A 1 124 ? 4.707 3.787 -0.348 1.00 60.33 ? 124 ARG A NE 1 ATOM 873 C CZ . ARG A 1 124 ? 3.919 4.310 -1.281 1.00 59.54 ? 124 ARG A CZ 1 ATOM 874 N NH1 . ARG A 1 124 ? 2.631 3.998 -1.319 1.00 64.09 ? 124 ARG A NH1 1 ATOM 875 N NH2 . ARG A 1 124 ? 4.420 5.149 -2.178 1.00 55.18 ? 124 ARG A NH2 1 ATOM 876 N N . GLU A 1 125 ? 8.407 -0.996 0.833 1.00 54.63 ? 125 GLU A N 1 ATOM 877 C CA . GLU A 1 125 ? 8.916 -1.887 1.869 1.00 56.30 ? 125 GLU A CA 1 ATOM 878 C C . GLU A 1 125 ? 10.284 -2.447 1.509 1.00 53.62 ? 125 GLU A C 1 ATOM 879 O O . GLU A 1 125 ? 11.106 -2.690 2.398 1.00 53.42 ? 125 GLU A O 1 ATOM 880 C CB . GLU A 1 125 ? 7.938 -3.035 2.108 1.00 59.51 ? 125 GLU A CB 1 ATOM 881 C CG . GLU A 1 125 ? 6.577 -2.616 2.642 1.00 59.99 ? 125 GLU A CG 1 ATOM 882 C CD . GLU A 1 125 ? 5.664 -3.798 2.898 1.00 67.18 ? 125 GLU A CD 1 ATOM 883 O OE1 . GLU A 1 125 ? 6.063 -4.935 2.575 1.00 61.65 ? 125 GLU A OE1 1 ATOM 884 O OE2 . GLU A 1 125 ? 4.551 -3.593 3.423 1.00 74.84 ? 125 GLU A OE2 1 ATOM 885 N N . GLN A 1 126 ? 10.552 -2.647 0.218 1.00 54.00 ? 126 GLN A N 1 ATOM 886 C CA . GLN A 1 126 ? 11.795 -3.287 -0.194 1.00 54.38 ? 126 GLN A CA 1 ATOM 887 C C . GLN A 1 126 ? 12.965 -2.314 -0.214 1.00 53.90 ? 126 GLN A C 1 ATOM 888 O O . GLN A 1 126 ? 14.100 -2.717 0.061 1.00 53.10 ? 126 GLN A O 1 ATOM 889 C CB . GLN A 1 126 ? 11.620 -3.929 -1.571 1.00 52.85 ? 126 GLN A CB 1 ATOM 890 C CG . GLN A 1 126 ? 12.809 -4.775 -2.009 1.00 54.41 ? 126 GLN A CG 1 ATOM 891 C CD . GLN A 1 126 ? 13.028 -5.982 -1.117 1.00 59.82 ? 126 GLN A CD 1 ATOM 892 O OE1 . GLN A 1 126 ? 12.075 -6.585 -0.621 1.00 57.98 ? 126 GLN A OE1 1 ATOM 893 N NE2 . GLN A 1 126 ? 14.289 -6.339 -0.904 1.00 64.23 ? 126 GLN A NE2 1 ATOM 894 N N . TYR A 1 127 ? 12.718 -1.046 -0.535 1.00 54.21 ? 127 TYR A N 1 ATOM 895 C CA . TYR A 1 127 ? 13.779 -0.059 -0.672 1.00 54.02 ? 127 TYR A CA 1 ATOM 896 C C . TYR A 1 127 ? 13.723 1.037 0.383 1.00 54.03 ? 127 TYR A C 1 ATOM 897 O O . TYR A 1 127 ? 14.634 1.870 0.437 1.00 52.13 ? 127 TYR A O 1 ATOM 898 C CB . TYR A 1 127 ? 13.738 0.562 -2.073 1.00 52.37 ? 127 TYR A CB 1 ATOM 899 C CG . TYR A 1 127 ? 14.118 -0.405 -3.171 1.00 51.38 ? 127 TYR A CG 1 ATOM 900 C CD1 . TYR A 1 127 ? 15.447 -0.747 -3.388 1.00 48.75 ? 127 TYR A CD1 1 ATOM 901 C CD2 . TYR A 1 127 ? 13.153 -0.977 -3.991 1.00 51.62 ? 127 TYR A CD2 1 ATOM 902 C CE1 . TYR A 1 127 ? 15.807 -1.630 -4.388 1.00 50.34 ? 127 TYR A CE1 1 ATOM 903 C CE2 . TYR A 1 127 ? 13.506 -1.864 -4.999 1.00 50.79 ? 127 TYR A CE2 1 ATOM 904 C CZ . TYR A 1 127 ? 14.834 -2.184 -5.190 1.00 50.83 ? 127 TYR A CZ 1 ATOM 905 O OH . TYR A 1 127 ? 15.197 -3.062 -6.184 1.00 50.41 ? 127 TYR A OH 1 ATOM 906 N N . GLY A 1 128 ? 12.687 1.061 1.221 1.00 56.02 ? 128 GLY A N 1 ATOM 907 C CA . GLY A 1 128 ? 12.601 2.052 2.273 1.00 56.21 ? 128 GLY A CA 1 ATOM 908 C C . GLY A 1 128 ? 12.413 3.474 1.807 1.00 56.80 ? 128 GLY A C 1 ATOM 909 O O . GLY A 1 128 ? 12.634 4.402 2.586 1.00 60.11 ? 128 GLY A O 1 ATOM 910 N N . ALA A 1 129 ? 12.012 3.678 0.559 1.00 57.07 ? 129 ALA A N 1 ATOM 911 C CA . ALA A 1 129 ? 11.784 5.019 0.047 1.00 60.20 ? 129 ALA A CA 1 ATOM 912 C C . ALA A 1 129 ? 10.316 5.397 0.190 1.00 57.32 ? 129 ALA A C 1 ATOM 913 O O . ALA A 1 129 ? 9.437 4.535 0.261 1.00 57.02 ? 129 ALA A O 1 ATOM 914 C CB . ALA A 1 129 ? 12.210 5.122 -1.417 1.00 59.14 ? 129 ALA A CB 1 ATOM 915 N N . LYS A 1 130 ? 10.060 6.702 0.241 1.00 59.47 ? 130 LYS A N 1 ATOM 916 C CA . LYS A 1 130 ? 8.696 7.200 0.366 1.00 60.66 ? 130 LYS A CA 1 ATOM 917 C C . LYS A 1 130 ? 8.022 7.423 -0.979 1.00 60.69 ? 130 LYS A C 1 ATOM 918 O O . LYS A 1 130 ? 6.800 7.270 -1.082 1.00 62.15 ? 130 LYS A O 1 ATOM 919 C CB . LYS A 1 130 ? 8.680 8.508 1.160 1.00 64.28 ? 130 LYS A CB 1 ATOM 920 C CG . LYS A 1 130 ? 8.733 8.330 2.667 1.00 60.90 ? 130 LYS A CG 1 ATOM 921 C CD . LYS A 1 130 ? 8.560 9.664 3.379 1.00 63.43 ? 130 LYS A CD 1 ATOM 922 C CE . LYS A 1 130 ? 8.332 9.473 4.869 1.00 63.96 ? 130 LYS A CE 1 ATOM 923 N NZ . LYS A 1 130 ? 8.209 10.773 5.584 1.00 64.63 ? 130 LYS A NZ 1 ATOM 924 N N . THR A 1 131 ? 8.785 7.775 -2.007 1.00 60.52 ? 131 THR A N 1 ATOM 925 C CA . THR A 1 131 ? 8.242 8.110 -3.316 1.00 56.54 ? 131 THR A CA 1 ATOM 926 C C . THR A 1 131 ? 8.701 7.086 -4.345 1.00 56.30 ? 131 THR A C 1 ATOM 927 O O . THR A 1 131 ? 9.902 6.836 -4.487 1.00 57.15 ? 131 THR A O 1 ATOM 928 C CB . THR A 1 131 ? 8.676 9.514 -3.740 1.00 58.84 ? 131 THR A CB 1 ATOM 929 O OG1 . THR A 1 131 ? 8.224 10.472 -2.775 1.00 58.92 ? 131 THR A OG1 1 ATOM 930 C CG2 . THR A 1 131 ? 8.095 9.863 -5.101 1.00 55.86 ? 131 THR A CG2 1 ATOM 931 N N . ILE A 1 132 ? 7.743 6.496 -5.053 1.00 54.22 ? 132 ILE A N 1 ATOM 932 C CA . ILE A 1 132 ? 8.012 5.550 -6.129 1.00 51.23 ? 132 ILE A CA 1 ATOM 933 C C . ILE A 1 132 ? 7.554 6.190 -7.431 1.00 51.33 ? 132 ILE A C 1 ATOM 934 O O . ILE A 1 132 ? 6.380 6.553 -7.574 1.00 52.24 ? 132 ILE A O 1 ATOM 935 C CB . ILE A 1 132 ? 7.308 4.205 -5.893 1.00 50.26 ? 132 ILE A CB 1 ATOM 936 C CG1 . ILE A 1 132 ? 7.834 3.545 -4.617 1.00 52.81 ? 132 ILE A CG1 1 ATOM 937 C CG2 . ILE A 1 132 ? 7.499 3.288 -7.092 1.00 49.49 ? 132 ILE A CG2 1 ATOM 938 C CD1 . ILE A 1 132 ? 9.324 3.276 -4.637 1.00 52.31 ? 132 ILE A CD1 1 ATOM 939 N N . ILE A 1 133 ? 8.478 6.329 -8.378 1.00 50.81 ? 133 ILE A N 1 ATOM 940 C CA . ILE A 1 133 ? 8.221 6.997 -9.648 1.00 47.57 ? 133 ILE A CA 1 ATOM 941 C C . ILE A 1 133 ? 8.398 5.989 -10.773 1.00 46.63 ? 133 ILE A C 1 ATOM 942 O O . ILE A 1 133 ? 9.427 5.307 -10.847 1.00 46.78 ? 133 ILE A O 1 ATOM 943 C CB . ILE A 1 133 ? 9.152 8.206 -9.851 1.00 48.81 ? 133 ILE A CB 1 ATOM 944 C CG1 . ILE A 1 133 ? 8.968 9.216 -8.719 1.00 50.23 ? 133 ILE A CG1 1 ATOM 945 C CG2 . ILE A 1 133 ? 8.895 8.857 -11.202 1.00 48.14 ? 133 ILE A CG2 1 ATOM 946 C CD1 . ILE A 1 133 ? 9.900 10.398 -8.807 1.00 51.54 ? 133 ILE A CD1 1 ATOM 947 N N . PHE A 1 134 ? 7.397 5.897 -11.643 1.00 47.07 ? 134 PHE A N 1 ATOM 948 C CA . PHE A 1 134 ? 7.468 5.069 -12.840 1.00 45.93 ? 134 PHE A CA 1 ATOM 949 C C . PHE A 1 134 ? 7.761 5.968 -14.035 1.00 44.48 ? 134 PHE A C 1 ATOM 950 O O . PHE A 1 134 ? 6.983 6.879 -14.336 1.00 44.30 ? 134 PHE A O 1 ATOM 951 C CB . PHE A 1 134 ? 6.166 4.297 -13.056 1.00 45.42 ? 134 PHE A CB 1 ATOM 952 C CG . PHE A 1 134 ? 5.831 3.345 -11.943 1.00 47.79 ? 134 PHE A CG 1 ATOM 953 C CD1 . PHE A 1 134 ? 6.511 2.145 -11.810 1.00 41.41 ? 134 PHE A CD1 1 ATOM 954 C CD2 . PHE A 1 134 ? 4.827 3.643 -11.037 1.00 47.76 ? 134 PHE A CD2 1 ATOM 955 C CE1 . PHE A 1 134 ? 6.201 1.265 -10.789 1.00 38.48 ? 134 PHE A CE1 1 ATOM 956 C CE2 . PHE A 1 134 ? 4.513 2.766 -10.014 1.00 45.48 ? 134 PHE A CE2 1 ATOM 957 C CZ . PHE A 1 134 ? 5.201 1.577 -9.891 1.00 39.40 ? 134 PHE A CZ 1 ATOM 958 N N . LYS A 1 135 ? 8.884 5.718 -14.704 1.00 42.21 ? 135 LYS A N 1 ATOM 959 C CA . LYS A 1 135 ? 9.251 6.486 -15.881 1.00 42.80 ? 135 LYS A CA 1 ATOM 960 C C . LYS A 1 135 ? 9.217 5.604 -17.126 1.00 43.88 ? 135 LYS A C 1 ATOM 961 O O . LYS A 1 135 ? 9.395 4.385 -17.031 1.00 44.66 ? 135 LYS A O 1 ATOM 962 C CB . LYS A 1 135 ? 10.646 7.107 -15.730 1.00 45.38 ? 135 LYS A CB 1 ATOM 963 C CG . LYS A 1 135 ? 10.696 8.269 -14.752 1.00 46.93 ? 135 LYS A CG 1 ATOM 964 C CD . LYS A 1 135 ? 11.969 9.083 -14.912 1.00 48.36 ? 135 LYS A CD 1 ATOM 965 C CE . LYS A 1 135 ? 11.951 10.311 -14.015 1.00 51.13 ? 135 LYS A CE 1 ATOM 966 N NZ . LYS A 1 135 ? 13.149 11.172 -14.222 1.00 53.75 ? 135 LYS A NZ 1 ATOM 967 N N . PRO A 1 136 ? 8.982 6.183 -18.304 1.00 42.18 ? 136 PRO A N 1 ATOM 968 C CA . PRO A 1 136 ? 8.893 5.370 -19.523 1.00 42.17 ? 136 PRO A CA 1 ATOM 969 C C . PRO A 1 136 ? 10.212 4.682 -19.839 1.00 46.16 ? 136 PRO A C 1 ATOM 970 O O . PRO A 1 136 ? 11.258 4.949 -19.242 1.00 45.74 ? 136 PRO A O 1 ATOM 971 C CB . PRO A 1 136 ? 8.519 6.389 -20.607 1.00 42.91 ? 136 PRO A CB 1 ATOM 972 C CG . PRO A 1 136 ? 7.929 7.543 -19.862 1.00 42.16 ? 136 PRO A CG 1 ATOM 973 C CD . PRO A 1 136 ? 8.680 7.599 -18.569 1.00 42.63 ? 136 PRO A CD 1 ATOM 974 N N . SER A 1 137 ? 10.148 3.773 -20.807 1.00 45.76 ? 137 SER A N 1 ATOM 975 C CA . SER A 1 137 ? 11.309 2.993 -21.220 1.00 44.96 ? 137 SER A CA 1 ATOM 976 C C . SER A 1 137 ? 12.409 3.876 -21.803 1.00 47.43 ? 137 SER A C 1 ATOM 977 O O . SER A 1 137 ? 12.178 5.039 -22.134 1.00 55.55 ? 137 SER A O 1 ATOM 978 C CB . SER A 1 137 ? 10.896 1.930 -22.240 1.00 47.02 ? 137 SER A CB 1 ATOM 979 O OG . SER A 1 137 ? 12.025 1.242 -22.748 1.00 52.44 ? 137 SER A OG 1 ATOM 980 N N . ASP A 1 141 ? 15.813 -1.012 -28.654 1.00 66.77 ? 141 ASP A N 1 ATOM 981 C CA . ASP A 1 141 ? 15.077 -1.493 -29.818 1.00 72.94 ? 141 ASP A CA 1 ATOM 982 C C . ASP A 1 141 ? 13.579 -1.236 -29.678 1.00 71.96 ? 141 ASP A C 1 ATOM 983 O O . ASP A 1 141 ? 13.060 -1.164 -28.563 1.00 70.77 ? 141 ASP A O 1 ATOM 984 C CB . ASP A 1 141 ? 15.342 -2.985 -30.039 1.00 73.98 ? 141 ASP A CB 1 ATOM 985 C CG . ASP A 1 141 ? 16.623 -3.240 -30.809 1.00 79.64 ? 141 ASP A CG 1 ATOM 986 O OD1 . ASP A 1 141 ? 17.095 -2.312 -31.500 1.00 76.76 ? 141 ASP A OD1 1 ATOM 987 O OD2 . ASP A 1 141 ? 17.153 -4.368 -30.731 1.00 81.77 -1 141 ASP A OD2 1 ATOM 988 N N . PRO A 1 142 ? 12.887 -1.089 -30.812 1.00 70.51 ? 142 PRO A N 1 ATOM 989 C CA . PRO A 1 142 ? 11.440 -0.824 -30.755 1.00 70.26 ? 142 PRO A CA 1 ATOM 990 C C . PRO A 1 142 ? 10.640 -1.933 -30.094 1.00 66.14 ? 142 PRO A C 1 ATOM 991 O O . PRO A 1 142 ? 9.591 -1.654 -29.499 1.00 66.55 ? 142 PRO A O 1 ATOM 992 C CB . PRO A 1 142 ? 11.058 -0.661 -32.234 1.00 75.15 ? 142 PRO A CB 1 ATOM 993 C CG . PRO A 1 142 ? 12.328 -0.271 -32.914 1.00 76.13 ? 142 PRO A CG 1 ATOM 994 C CD . PRO A 1 142 ? 13.411 -1.005 -32.186 1.00 73.08 ? 142 PRO A CD 1 ATOM 995 N N . GLU A 1 143 ? 11.101 -3.183 -30.178 1.00 63.73 ? 143 GLU A N 1 ATOM 996 C CA . GLU A 1 143 ? 10.339 -4.290 -29.611 1.00 62.94 ? 143 GLU A CA 1 ATOM 997 C C . GLU A 1 143 ? 10.305 -4.238 -28.090 1.00 63.64 ? 143 GLU A C 1 ATOM 998 O O . GLU A 1 143 ? 9.323 -4.675 -27.479 1.00 62.48 ? 143 GLU A O 1 ATOM 999 C CB . GLU A 1 143 ? 10.921 -5.623 -30.082 1.00 63.53 ? 143 GLU A CB 1 ATOM 1000 N N . PHE A 1 144 ? 11.356 -3.711 -27.461 1.00 67.35 ? 144 PHE A N 1 ATOM 1001 C CA . PHE A 1 144 ? 11.429 -3.667 -26.008 1.00 67.78 ? 144 PHE A CA 1 ATOM 1002 C C . PHE A 1 144 ? 11.065 -2.310 -25.421 1.00 64.50 ? 144 PHE A C 1 ATOM 1003 O O . PHE A 1 144 ? 10.693 -2.246 -24.244 1.00 61.84 ? 144 PHE A O 1 ATOM 1004 C CB . PHE A 1 144 ? 12.832 -4.069 -25.538 1.00 70.95 ? 144 PHE A CB 1 ATOM 1005 C CG . PHE A 1 144 ? 13.184 -5.496 -25.845 1.00 73.86 ? 144 PHE A CG 1 ATOM 1006 C CD1 . PHE A 1 144 ? 12.651 -6.531 -25.095 1.00 75.98 ? 144 PHE A CD1 1 ATOM 1007 C CD2 . PHE A 1 144 ? 14.046 -5.805 -26.885 1.00 74.56 ? 144 PHE A CD2 1 ATOM 1008 C CE1 . PHE A 1 144 ? 12.968 -7.846 -25.376 1.00 80.22 ? 144 PHE A CE1 1 ATOM 1009 C CE2 . PHE A 1 144 ? 14.368 -7.119 -27.170 1.00 80.00 ? 144 PHE A CE2 1 ATOM 1010 C CZ . PHE A 1 144 ? 13.828 -8.140 -26.414 1.00 83.14 ? 144 PHE A CZ 1 ATOM 1011 N N . VAL A 1 145 ? 11.156 -1.231 -26.202 1.00 63.98 ? 145 VAL A N 1 ATOM 1012 C CA . VAL A 1 145 ? 10.714 0.066 -25.701 1.00 62.46 ? 145 VAL A CA 1 ATOM 1013 C C . VAL A 1 145 ? 9.192 0.137 -25.682 1.00 59.81 ? 145 VAL A C 1 ATOM 1014 O O . VAL A 1 145 ? 8.607 0.903 -24.906 1.00 57.86 ? 145 VAL A O 1 ATOM 1015 C CB . VAL A 1 145 ? 11.331 1.207 -26.535 1.00 61.27 ? 145 VAL A CB 1 ATOM 1016 C CG1 . VAL A 1 145 ? 10.728 1.247 -27.928 1.00 64.03 ? 145 VAL A CG1 1 ATOM 1017 C CG2 . VAL A 1 145 ? 11.154 2.546 -25.832 1.00 54.79 ? 145 VAL A CG2 1 ATOM 1018 N N . ASN A 1 146 ? 8.528 -0.660 -26.511 1.00 58.81 ? 146 ASN A N 1 ATOM 1019 C CA . ASN A 1 146 ? 7.077 -0.755 -26.517 1.00 53.96 ? 146 ASN A CA 1 ATOM 1020 C C . ASN A 1 146 ? 6.630 -2.014 -25.784 1.00 54.82 ? 146 ASN A C 1 ATOM 1021 O O . ASN A 1 146 ? 7.412 -2.940 -25.555 1.00 57.54 ? 146 ASN A O 1 ATOM 1022 C CB . ASN A 1 146 ? 6.535 -0.770 -27.950 1.00 53.44 ? 146 ASN A CB 1 ATOM 1023 C CG . ASN A 1 146 ? 6.693 0.566 -28.650 1.00 56.13 ? 146 ASN A CG 1 ATOM 1024 O OD1 . ASN A 1 146 ? 7.489 1.407 -28.235 1.00 62.76 ? 146 ASN A OD1 1 ATOM 1025 N ND2 . ASN A 1 146 ? 5.930 0.766 -29.719 1.00 52.71 ? 146 ASN A ND2 1 ATOM 1026 N N . HIS A 1 147 ? 5.356 -2.030 -25.400 1.00 52.24 ? 147 HIS A N 1 ATOM 1027 C CA . HIS A 1 147 ? 4.729 -3.254 -24.908 1.00 50.31 ? 147 HIS A CA 1 ATOM 1028 C C . HIS A 1 147 ? 4.407 -4.116 -26.121 1.00 51.01 ? 147 HIS A C 1 ATOM 1029 O O . HIS A 1 147 ? 3.336 -4.017 -26.721 1.00 49.91 ? 147 HIS A O 1 ATOM 1030 C CB . HIS A 1 147 ? 3.480 -2.951 -24.091 1.00 48.94 ? 147 HIS A CB 1 ATOM 1031 C CG . HIS A 1 147 ? 2.625 -4.153 -23.836 1.00 43.65 ? 147 HIS A CG 1 ATOM 1032 N ND1 . HIS A 1 147 ? 3.130 -5.327 -23.320 1.00 46.65 ? 147 HIS A ND1 1 ATOM 1033 C CD2 . HIS A 1 147 ? 1.306 -4.372 -24.045 1.00 42.56 ? 147 HIS A CD2 1 ATOM 1034 C CE1 . HIS A 1 147 ? 2.156 -6.214 -23.213 1.00 46.62 ? 147 HIS A CE1 1 ATOM 1035 N NE2 . HIS A 1 147 ? 1.039 -5.659 -23.646 1.00 45.91 ? 147 HIS A NE2 1 ATOM 1036 N N . SER A 1 148 ? 5.357 -4.964 -26.498 1.00 51.38 ? 148 SER A N 1 ATOM 1037 C CA . SER A 1 148 ? 5.217 -5.826 -27.662 1.00 52.09 ? 148 SER A CA 1 ATOM 1038 C C . SER A 1 148 ? 4.840 -7.235 -27.224 1.00 51.43 ? 148 SER A C 1 ATOM 1039 O O . SER A 1 148 ? 5.423 -7.778 -26.282 1.00 50.86 ? 148 SER A O 1 ATOM 1040 C CB . SER A 1 148 ? 6.514 -5.861 -28.470 1.00 54.44 ? 148 SER A CB 1 ATOM 1041 O OG . SER A 1 148 ? 7.027 -4.557 -28.675 1.00 59.24 ? 148 SER A OG 1 ATOM 1042 N N . PHE A 1 149 ? 3.867 -7.826 -27.916 1.00 50.10 ? 149 PHE A N 1 ATOM 1043 C CA . PHE A 1 149 ? 3.381 -9.152 -27.560 1.00 47.71 ? 149 PHE A CA 1 ATOM 1044 C C . PHE A 1 149 ? 3.005 -9.920 -28.819 1.00 47.67 ? 149 PHE A C 1 ATOM 1045 O O . PHE A 1 149 ? 2.651 -9.330 -29.844 1.00 49.82 ? 149 PHE A O 1 ATOM 1046 C CB . PHE A 1 149 ? 2.182 -9.076 -26.606 1.00 45.99 ? 149 PHE A CB 1 ATOM 1047 C CG . PHE A 1 149 ? 0.984 -8.376 -27.182 1.00 47.82 ? 149 PHE A CG 1 ATOM 1048 C CD1 . PHE A 1 149 ? 0.918 -6.992 -27.206 1.00 48.81 ? 149 PHE A CD1 1 ATOM 1049 C CD2 . PHE A 1 149 ? -0.085 -9.101 -27.684 1.00 48.69 ? 149 PHE A CD2 1 ATOM 1050 C CE1 . PHE A 1 149 ? -0.183 -6.345 -27.731 1.00 47.65 ? 149 PHE A CE1 1 ATOM 1051 C CE2 . PHE A 1 149 ? -1.191 -8.458 -28.209 1.00 49.50 ? 149 PHE A CE2 1 ATOM 1052 C CZ . PHE A 1 149 ? -1.240 -7.078 -28.232 1.00 47.14 ? 149 PHE A CZ 1 ATOM 1053 N N . ASN A 1 150 ? 3.082 -11.247 -28.726 1.00 47.93 ? 150 ASN A N 1 ATOM 1054 C CA . ASN A 1 150 ? 2.772 -12.141 -29.834 1.00 46.33 ? 150 ASN A CA 1 ATOM 1055 C C . ASN A 1 150 ? 1.380 -12.727 -29.630 1.00 47.06 ? 150 ASN A C 1 ATOM 1056 O O . ASN A 1 150 ? 1.136 -13.430 -28.642 1.00 48.67 ? 150 ASN A O 1 ATOM 1057 C CB . ASN A 1 150 ? 3.817 -13.254 -29.942 1.00 44.86 ? 150 ASN A CB 1 ATOM 1058 C CG . ASN A 1 150 ? 3.685 -14.066 -31.221 1.00 49.10 ? 150 ASN A CG 1 ATOM 1059 O OD1 . ASN A 1 150 ? 2.587 -14.455 -31.619 1.00 50.82 ? 150 ASN A OD1 1 ATOM 1060 N ND2 . ASN A 1 150 ? 4.814 -14.326 -31.871 1.00 50.48 ? 150 ASN A ND2 1 ATOM 1061 N N . CYS A 1 151 ? 0.477 -12.445 -30.566 1.00 48.63 ? 151 CYS A N 1 ATOM 1062 C CA . CYS A 1 151 ? -0.880 -12.978 -30.553 1.00 47.99 ? 151 CYS A CA 1 ATOM 1063 C C . CYS A 1 151 ? -1.144 -13.669 -31.881 1.00 52.76 ? 151 CYS A C 1 ATOM 1064 O O . CYS A 1 151 ? -1.142 -13.020 -32.933 1.00 54.98 ? 151 CYS A O 1 ATOM 1065 C CB . CYS A 1 151 ? -1.908 -11.871 -30.310 1.00 45.53 ? 151 CYS A CB 1 ATOM 1066 S SG . CYS A 1 151 ? -3.626 -12.425 -30.426 1.00 45.67 ? 151 CYS A SG 1 ATOM 1067 N N . GLY A 1 152 ? -1.371 -14.978 -31.833 1.00 52.93 ? 152 GLY A N 1 ATOM 1068 C CA . GLY A 1 152 ? -1.651 -15.736 -33.041 1.00 53.18 ? 152 GLY A CA 1 ATOM 1069 C C . GLY A 1 152 ? -0.493 -15.815 -34.012 1.00 55.43 ? 152 GLY A C 1 ATOM 1070 O O . GLY A 1 152 ? -0.709 -15.784 -35.230 1.00 57.41 ? 152 GLY A O 1 ATOM 1071 N N . GLY A 1 153 ? 0.733 -15.920 -33.505 1.00 54.21 ? 153 GLY A N 1 ATOM 1072 C CA . GLY A 1 153 ? 1.903 -15.901 -34.356 1.00 56.20 ? 153 GLY A CA 1 ATOM 1073 C C . GLY A 1 153 ? 2.201 -14.568 -35.002 1.00 55.02 ? 153 GLY A C 1 ATOM 1074 O O . GLY A 1 153 ? 3.145 -14.480 -35.795 1.00 55.74 ? 153 GLY A O 1 ATOM 1075 N N . GLU A 1 154 ? 1.431 -13.528 -34.690 1.00 52.60 ? 154 GLU A N 1 ATOM 1076 C CA . GLU A 1 154 ? 1.600 -12.203 -35.266 1.00 56.08 ? 154 GLU A CA 1 ATOM 1077 C C . GLU A 1 154 ? 2.009 -11.235 -34.166 1.00 54.08 ? 154 GLU A C 1 ATOM 1078 O O . GLU A 1 154 ? 1.399 -11.217 -33.091 1.00 52.88 ? 154 GLU A O 1 ATOM 1079 C CB . GLU A 1 154 ? 0.310 -11.736 -35.943 1.00 55.98 ? 154 GLU A CB 1 ATOM 1080 C CG . GLU A 1 154 ? 0.385 -10.355 -36.564 1.00 61.91 ? 154 GLU A CG 1 ATOM 1081 C CD . GLU A 1 154 ? -0.914 -9.956 -37.233 1.00 67.74 ? 154 GLU A CD 1 ATOM 1082 O OE1 . GLU A 1 154 ? -1.772 -10.839 -37.439 1.00 66.98 ? 154 GLU A OE1 1 ATOM 1083 O OE2 . GLU A 1 154 ? -1.076 -8.761 -37.555 1.00 68.20 -1 154 GLU A OE2 1 ATOM 1084 N N . PHE A 1 155 ? 3.037 -10.435 -34.435 1.00 53.44 ? 155 PHE A N 1 ATOM 1085 C CA . PHE A 1 155 ? 3.604 -9.544 -33.434 1.00 53.02 ? 155 PHE A CA 1 ATOM 1086 C C . PHE A 1 155 ? 2.957 -8.167 -33.510 1.00 54.57 ? 155 PHE A C 1 ATOM 1087 O O . PHE A 1 155 ? 2.612 -7.686 -34.594 1.00 57.68 ? 155 PHE A O 1 ATOM 1088 C CB . PHE A 1 155 ? 5.117 -9.425 -33.625 1.00 56.07 ? 155 PHE A CB 1 ATOM 1089 C CG . PHE A 1 155 ? 5.897 -9.491 -32.344 1.00 56.68 ? 155 PHE A CG 1 ATOM 1090 C CD1 . PHE A 1 155 ? 6.081 -10.700 -31.692 1.00 56.41 ? 155 PHE A CD1 1 ATOM 1091 C CD2 . PHE A 1 155 ? 6.456 -8.349 -31.797 1.00 60.26 ? 155 PHE A CD2 1 ATOM 1092 C CE1 . PHE A 1 155 ? 6.802 -10.766 -30.515 1.00 59.22 ? 155 PHE A CE1 1 ATOM 1093 C CE2 . PHE A 1 155 ? 7.180 -8.411 -30.623 1.00 62.33 ? 155 PHE A CE2 1 ATOM 1094 C CZ . PHE A 1 155 ? 7.351 -9.619 -29.980 1.00 59.52 ? 155 PHE A CZ 1 ATOM 1095 N N . PHE A 1 156 ? 2.798 -7.536 -32.349 1.00 54.41 ? 156 PHE A N 1 ATOM 1096 C CA . PHE A 1 156 ? 2.203 -6.212 -32.249 1.00 53.19 ? 156 PHE A CA 1 ATOM 1097 C C . PHE A 1 156 ? 3.060 -5.337 -31.345 1.00 52.91 ? 156 PHE A C 1 ATOM 1098 O O . PHE A 1 156 ? 3.871 -5.828 -30.556 1.00 53.47 ? 156 PHE A O 1 ATOM 1099 C CB . PHE A 1 156 ? 0.765 -6.280 -31.714 1.00 52.54 ? 156 PHE A CB 1 ATOM 1100 C CG . PHE A 1 156 ? -0.144 -7.146 -32.537 1.00 52.90 ? 156 PHE A CG 1 ATOM 1101 C CD1 . PHE A 1 156 ? -0.783 -6.637 -33.655 1.00 51.90 ? 156 PHE A CD1 1 ATOM 1102 C CD2 . PHE A 1 156 ? -0.357 -8.471 -32.194 1.00 52.59 ? 156 PHE A CD2 1 ATOM 1103 C CE1 . PHE A 1 156 ? -1.619 -7.433 -34.415 1.00 53.22 ? 156 PHE A CE1 1 ATOM 1104 C CE2 . PHE A 1 156 ? -1.192 -9.271 -32.950 1.00 54.29 ? 156 PHE A CE2 1 ATOM 1105 C CZ . PHE A 1 156 ? -1.824 -8.751 -34.062 1.00 54.10 ? 156 PHE A CZ 1 ATOM 1106 N N . TYR A 1 157 ? 2.872 -4.026 -31.474 1.00 51.67 ? 157 TYR A N 1 ATOM 1107 C CA . TYR A 1 157 ? 3.639 -3.046 -30.715 1.00 51.51 ? 157 TYR A CA 1 ATOM 1108 C C . TYR A 1 157 ? 2.697 -1.961 -30.221 1.00 49.57 ? 157 TYR A C 1 ATOM 1109 O O . TYR A 1 157 ? 1.941 -1.391 -31.012 1.00 47.88 ? 157 TYR A O 1 ATOM 1110 C CB . TYR A 1 157 ? 4.751 -2.422 -31.569 1.00 52.04 ? 157 TYR A CB 1 ATOM 1111 C CG . TYR A 1 157 ? 5.706 -3.422 -32.183 1.00 56.45 ? 157 TYR A CG 1 ATOM 1112 C CD1 . TYR A 1 157 ? 5.391 -4.078 -33.366 1.00 56.17 ? 157 TYR A CD1 1 ATOM 1113 C CD2 . TYR A 1 157 ? 6.930 -3.698 -31.590 1.00 57.29 ? 157 TYR A CD2 1 ATOM 1114 C CE1 . TYR A 1 157 ? 6.261 -4.990 -33.931 1.00 56.51 ? 157 TYR A CE1 1 ATOM 1115 C CE2 . TYR A 1 157 ? 7.807 -4.607 -32.149 1.00 59.23 ? 157 TYR A CE2 1 ATOM 1116 C CZ . TYR A 1 157 ? 7.468 -5.250 -33.320 1.00 58.52 ? 157 TYR A CZ 1 ATOM 1117 O OH . TYR A 1 157 ? 8.338 -6.156 -33.881 1.00 64.64 ? 157 TYR A OH 1 ATOM 1118 N N . CYS A 1 158 ? 2.747 -1.672 -28.922 1.00 47.24 ? 158 CYS A N 1 ATOM 1119 C CA . CYS A 1 158 ? 1.902 -0.648 -28.319 1.00 45.05 ? 158 CYS A CA 1 ATOM 1120 C C . CYS A 1 158 ? 2.761 0.313 -27.513 1.00 46.55 ? 158 CYS A C 1 ATOM 1121 O O . CYS A 1 158 ? 3.608 -0.122 -26.726 1.00 48.08 ? 158 CYS A O 1 ATOM 1122 C CB . CYS A 1 158 ? 0.827 -1.270 -27.420 1.00 42.86 ? 158 CYS A CB 1 ATOM 1123 S SG . CYS A 1 158 ? -0.295 -2.413 -28.253 1.00 50.24 ? 158 CYS A SG 1 ATOM 1124 N N . ALA A 1 159 ? 2.534 1.614 -27.705 1.00 43.19 ? 159 ALA A N 1 ATOM 1125 C CA . ALA A 1 159 ? 3.239 2.641 -26.945 1.00 39.12 ? 159 ALA A CA 1 ATOM 1126 C C . ALA A 1 159 ? 2.776 2.595 -25.495 1.00 43.24 ? 159 ALA A C 1 ATOM 1127 O O . ALA A 1 159 ? 1.617 2.900 -25.197 1.00 44.18 ? 159 ALA A O 1 ATOM 1128 C CB . ALA A 1 159 ? 2.991 4.014 -27.562 1.00 38.32 ? 159 ALA A CB 1 ATOM 1129 N N . SER A 1 160 ? 3.684 2.233 -24.586 1.00 43.04 ? 160 SER A N 1 ATOM 1130 C CA . SER A 1 160 ? 3.353 2.054 -23.181 1.00 42.64 ? 160 SER A CA 1 ATOM 1131 C C . SER A 1 160 ? 3.784 3.236 -22.321 1.00 45.04 ? 160 SER A C 1 ATOM 1132 O O . SER A 1 160 ? 3.961 3.076 -21.110 1.00 44.32 ? 160 SER A O 1 ATOM 1133 C CB . SER A 1 160 ? 3.976 0.759 -22.655 1.00 48.78 ? 160 SER A CB 1 ATOM 1134 O OG . SER A 1 160 ? 5.392 0.820 -22.701 1.00 50.47 ? 160 SER A OG 1 ATOM 1135 N N . THR A 1 161 ? 3.952 4.420 -22.915 1.00 46.79 ? 161 THR A N 1 ATOM 1136 C CA . THR A 1 161 ? 4.341 5.585 -22.126 1.00 41.81 ? 161 THR A CA 1 ATOM 1137 C C . THR A 1 161 ? 3.220 6.036 -21.202 1.00 42.62 ? 161 THR A C 1 ATOM 1138 O O . THR A 1 161 ? 3.483 6.657 -20.168 1.00 44.34 ? 161 THR A O 1 ATOM 1139 C CB . THR A 1 161 ? 4.759 6.736 -23.040 1.00 39.07 ? 161 THR A CB 1 ATOM 1140 O OG1 . THR A 1 161 ? 5.123 7.874 -22.248 1.00 46.69 ? 161 THR A OG1 1 ATOM 1141 C CG2 . THR A 1 161 ? 3.612 7.126 -23.974 1.00 44.52 ? 161 THR A CG2 1 ATOM 1142 N N . GLN A 1 162 ? 1.969 5.723 -21.545 1.00 40.88 ? 162 GLN A N 1 ATOM 1143 C CA . GLN A 1 162 ? 0.852 6.055 -20.672 1.00 42.10 ? 162 GLN A CA 1 ATOM 1144 C C . GLN A 1 162 ? 0.800 5.167 -19.440 1.00 42.69 ? 162 GLN A C 1 ATOM 1145 O O . GLN A 1 162 ? 0.168 5.544 -18.450 1.00 41.73 ? 162 GLN A O 1 ATOM 1146 C CB . GLN A 1 162 ? -0.466 5.949 -21.440 1.00 42.27 ? 162 GLN A CB 1 ATOM 1147 C CG . GLN A 1 162 ? -0.579 6.887 -22.627 1.00 42.90 ? 162 GLN A CG 1 ATOM 1148 C CD . GLN A 1 162 ? -1.847 6.661 -23.421 1.00 43.52 ? 162 GLN A CD 1 ATOM 1149 O OE1 . GLN A 1 162 ? -2.040 5.600 -24.011 1.00 41.77 ? 162 GLN A OE1 1 ATOM 1150 N NE2 . GLN A 1 162 ? -2.723 7.658 -23.433 1.00 46.97 ? 162 GLN A NE2 1 ATOM 1151 N N . LEU A 1 163 ? 1.444 4.000 -19.474 1.00 44.56 ? 163 LEU A N 1 ATOM 1152 C CA . LEU A 1 163 ? 1.377 3.093 -18.335 1.00 44.14 ? 163 LEU A CA 1 ATOM 1153 C C . LEU A 1 163 ? 2.447 3.410 -17.299 1.00 44.37 ? 163 LEU A C 1 ATOM 1154 O O . LEU A 1 163 ? 2.194 3.310 -16.093 1.00 45.40 ? 163 LEU A O 1 ATOM 1155 C CB . LEU A 1 163 ? 1.507 1.645 -18.808 1.00 43.27 ? 163 LEU A CB 1 ATOM 1156 C CG . LEU A 1 163 ? 0.461 1.162 -19.816 1.00 41.93 ? 163 LEU A CG 1 ATOM 1157 C CD1 . LEU A 1 163 ? 0.764 -0.265 -20.240 1.00 39.56 ? 163 LEU A CD1 1 ATOM 1158 C CD2 . LEU A 1 163 ? -0.950 1.269 -19.255 1.00 40.19 ? 163 LEU A CD2 1 ATOM 1159 N N . PHE A 1 164 ? 3.638 3.799 -17.747 1.00 44.09 ? 164 PHE A N 1 ATOM 1160 C CA . PHE A 1 164 ? 4.780 4.054 -16.872 1.00 43.35 ? 164 PHE A CA 1 ATOM 1161 C C . PHE A 1 164 ? 5.157 5.529 -16.985 1.00 41.86 ? 164 PHE A C 1 ATOM 1162 O O . PHE A 1 164 ? 6.128 5.888 -17.654 1.00 41.83 ? 164 PHE A O 1 ATOM 1163 C CB . PHE A 1 164 ? 5.949 3.135 -17.246 1.00 42.18 ? 164 PHE A CB 1 ATOM 1164 C CG . PHE A 1 164 ? 5.579 1.679 -17.313 1.00 40.05 ? 164 PHE A CG 1 ATOM 1165 C CD1 . PHE A 1 164 ? 5.559 0.905 -16.165 1.00 40.00 ? 164 PHE A CD1 1 ATOM 1166 C CD2 . PHE A 1 164 ? 5.250 1.085 -18.522 1.00 40.04 ? 164 PHE A CD2 1 ATOM 1167 C CE1 . PHE A 1 164 ? 5.218 -0.434 -16.220 1.00 41.53 ? 164 PHE A CE1 1 ATOM 1168 C CE2 . PHE A 1 164 ? 4.909 -0.254 -18.583 1.00 41.00 ? 164 PHE A CE2 1 ATOM 1169 C CZ . PHE A 1 164 ? 4.893 -1.014 -17.430 1.00 39.49 ? 164 PHE A CZ 1 ATOM 1170 N N . ALA A 1 165 ? 4.375 6.382 -16.325 1.00 43.35 ? 165 ALA A N 1 ATOM 1171 C CA . ALA A 1 165 ? 4.641 7.815 -16.293 1.00 40.62 ? 165 ALA A CA 1 ATOM 1172 C C . ALA A 1 165 ? 3.903 8.458 -15.129 1.00 40.88 ? 165 ALA A C 1 ATOM 1173 O O . ALA A 1 165 ? 3.149 9.418 -15.318 1.00 41.81 ? 165 ALA A O 1 ATOM 1174 C CB . ALA A 1 165 ? 4.234 8.474 -17.612 1.00 40.32 ? 165 ALA A CB 1 ATOM 1175 N N . SER A 1 166 ? 4.112 7.937 -13.921 1.00 41.08 ? 166 SER A N 1 ATOM 1176 C CA . SER A 1 166 ? 3.373 8.387 -12.753 1.00 42.62 ? 166 SER A CA 1 ATOM 1177 C C . SER A 1 166 ? 4.310 8.500 -11.559 1.00 45.95 ? 166 SER A C 1 ATOM 1178 O O . SER A 1 166 ? 5.481 8.113 -11.612 1.00 48.35 ? 166 SER A O 1 ATOM 1179 C CB . SER A 1 166 ? 2.211 7.440 -12.430 1.00 45.80 ? 166 SER A CB 1 ATOM 1180 O OG . SER A 1 166 ? 2.682 6.133 -12.147 1.00 50.65 ? 166 SER A OG 1 ATOM 1181 N N . THR A 1 167 ? 3.767 9.042 -10.472 1.00 45.92 ? 167 THR A N 1 ATOM 1182 C CA . THR A 1 167 ? 4.463 9.177 -9.203 1.00 47.10 ? 167 THR A CA 1 ATOM 1183 C C . THR A 1 167 ? 3.535 8.687 -8.099 1.00 49.54 ? 167 THR A C 1 ATOM 1184 O O . THR A 1 167 ? 2.310 8.769 -8.224 1.00 50.79 ? 167 THR A O 1 ATOM 1185 C CB . THR A 1 167 ? 4.888 10.637 -8.952 1.00 50.18 ? 167 THR A CB 1 ATOM 1186 O OG1 . THR A 1 167 ? 5.623 11.121 -10.083 1.00 48.72 ? 167 THR A OG1 1 ATOM 1187 C CG2 . THR A 1 167 ? 5.760 10.752 -7.713 1.00 51.05 ? 167 THR A CG2 1 ATOM 1188 N N . TRP A 1 168 ? 4.120 8.148 -7.028 1.00 49.96 ? 168 TRP A N 1 ATOM 1189 C CA . TRP A 1 168 ? 3.337 7.585 -5.926 1.00 51.11 ? 168 TRP A CA 1 ATOM 1190 C C . TRP A 1 168 ? 4.040 7.898 -4.608 1.00 52.67 ? 168 TRP A C 1 ATOM 1191 O O . TRP A 1 168 ? 5.030 7.251 -4.255 1.00 54.84 ? 168 TRP A O 1 ATOM 1192 C CB . TRP A 1 168 ? 3.138 6.085 -6.108 1.00 50.86 ? 168 TRP A CB 1 ATOM 1193 C CG . TRP A 1 168 ? 2.462 5.746 -7.399 1.00 49.44 ? 168 TRP A CG 1 ATOM 1194 C CD1 . TRP A 1 168 ? 3.064 5.396 -8.571 1.00 49.84 ? 168 TRP A CD1 1 ATOM 1195 C CD2 . TRP A 1 168 ? 1.053 5.750 -7.657 1.00 51.69 ? 168 TRP A CD2 1 ATOM 1196 N NE1 . TRP A 1 168 ? 2.118 5.171 -9.541 1.00 49.10 ? 168 TRP A NE1 1 ATOM 1197 C CE2 . TRP A 1 168 ? 0.875 5.382 -9.005 1.00 51.69 ? 168 TRP A CE2 1 ATOM 1198 C CE3 . TRP A 1 168 ? -0.075 6.024 -6.878 1.00 51.80 ? 168 TRP A CE3 1 ATOM 1199 C CZ2 . TRP A 1 168 ? -0.385 5.281 -9.591 1.00 51.56 ? 168 TRP A CZ2 1 ATOM 1200 C CZ3 . TRP A 1 168 ? -1.325 5.922 -7.462 1.00 51.43 ? 168 TRP A CZ3 1 ATOM 1201 C CH2 . TRP A 1 168 ? -1.470 5.553 -8.804 1.00 52.30 ? 168 TRP A CH2 1 ATOM 1202 N N . PHE A 1 169 ? 3.519 8.887 -3.885 1.00 53.75 ? 169 PHE A N 1 ATOM 1203 C CA . PHE A 1 169 ? 4.051 9.237 -2.579 1.00 56.21 ? 169 PHE A CA 1 ATOM 1204 C C . PHE A 1 169 ? 3.648 8.189 -1.541 1.00 57.99 ? 169 PHE A C 1 ATOM 1205 O O . PHE A 1 169 ? 2.910 7.241 -1.823 1.00 59.68 ? 169 PHE A O 1 ATOM 1206 C CB . PHE A 1 169 ? 3.558 10.620 -2.152 1.00 57.59 ? 169 PHE A CB 1 ATOM 1207 C CG . PHE A 1 169 ? 4.031 11.735 -3.041 1.00 60.24 ? 169 PHE A CG 1 ATOM 1208 C CD1 . PHE A 1 169 ? 5.310 11.722 -3.571 1.00 61.14 ? 169 PHE A CD1 1 ATOM 1209 C CD2 . PHE A 1 169 ? 3.193 12.795 -3.349 1.00 59.64 ? 169 PHE A CD2 1 ATOM 1210 C CE1 . PHE A 1 169 ? 5.746 12.747 -4.388 1.00 56.36 ? 169 PHE A CE1 1 ATOM 1211 C CE2 . PHE A 1 169 ? 3.625 13.823 -4.167 1.00 55.66 ? 169 PHE A CE2 1 ATOM 1212 C CZ . PHE A 1 169 ? 4.902 13.798 -4.688 1.00 52.62 ? 169 PHE A CZ 1 ATOM 1213 N N . ALA A 1 170 ? 4.145 8.374 -0.322 1.00 57.75 ? 170 ALA A N 1 ATOM 1214 C CA . ALA A 1 170 ? 3.851 7.457 0.773 1.00 59.03 ? 170 ALA A CA 1 ATOM 1215 C C . ALA A 1 170 ? 2.377 7.521 1.162 1.00 57.78 ? 170 ALA A C 1 ATOM 1216 O O . ALA A 1 170 ? 2.022 8.078 2.200 1.00 55.22 ? 170 ALA A O 1 ATOM 1217 C CB . ALA A 1 170 ? 4.730 7.767 1.975 1.00 58.46 ? 170 ALA A CB 1 HETATM 1218 C C1 . NAG B 2 . ? -8.808 -13.026 -18.255 1.00 72.87 ? 201 NAG A C1 1 HETATM 1219 C C2 . NAG B 2 . ? -9.620 -12.735 -16.996 1.00 70.71 ? 201 NAG A C2 1 HETATM 1220 C C3 . NAG B 2 . ? -11.062 -13.198 -17.178 1.00 73.91 ? 201 NAG A C3 1 HETATM 1221 C C4 . NAG B 2 . ? -11.658 -12.591 -18.442 1.00 77.06 ? 201 NAG A C4 1 HETATM 1222 C C5 . NAG B 2 . ? -10.758 -12.875 -19.642 1.00 77.50 ? 201 NAG A C5 1 HETATM 1223 C C6 . NAG B 2 . ? -11.222 -12.188 -20.906 1.00 75.86 ? 201 NAG A C6 1 HETATM 1224 C C7 . NAG B 2 . ? -9.152 -12.901 -14.591 1.00 70.38 ? 201 NAG A C7 1 HETATM 1225 C C8 . NAG B 2 . ? -8.465 -13.686 -13.514 1.00 68.65 ? 201 NAG A C8 1 HETATM 1226 N N2 . NAG B 2 . ? -9.021 -13.374 -15.833 1.00 68.53 ? 201 NAG A N2 1 HETATM 1227 O O3 . NAG B 2 . ? -11.833 -12.815 -16.046 1.00 79.07 ? 201 NAG A O3 1 HETATM 1228 O O4 . NAG B 2 . ? -12.949 -13.139 -18.683 1.00 84.32 ? 201 NAG A O4 1 HETATM 1229 O O5 . NAG B 2 . ? -9.430 -12.401 -19.380 1.00 72.75 ? 201 NAG A O5 1 HETATM 1230 O O6 . NAG B 2 . ? -10.122 -11.778 -21.705 1.00 65.28 ? 201 NAG A O6 1 HETATM 1231 O O7 . NAG B 2 . ? -9.798 -11.887 -14.345 1.00 73.58 ? 201 NAG A O7 1 HETATM 1232 C C1 . NAG C 2 . ? -5.169 -14.380 -23.521 1.00 41.83 ? 202 NAG A C1 1 HETATM 1233 C C2 . NAG C 2 . ? -5.079 -14.350 -25.048 1.00 41.90 ? 202 NAG A C2 1 HETATM 1234 C C3 . NAG C 2 . ? -6.421 -13.947 -25.661 1.00 43.72 ? 202 NAG A C3 1 HETATM 1235 C C4 . NAG C 2 . ? -7.554 -14.800 -25.106 1.00 44.07 ? 202 NAG A C4 1 HETATM 1236 C C5 . NAG C 2 . ? -7.534 -14.768 -23.584 1.00 44.35 ? 202 NAG A C5 1 HETATM 1237 C C6 . NAG C 2 . ? -8.560 -15.682 -22.961 1.00 48.28 ? 202 NAG A C6 1 HETATM 1238 C C7 . NAG C 2 . ? -3.130 -13.743 -26.413 1.00 39.16 ? 202 NAG A C7 1 HETATM 1239 C C8 . NAG C 2 . ? -2.125 -12.676 -26.730 1.00 39.50 ? 202 NAG A C8 1 HETATM 1240 N N2 . NAG C 2 . ? -4.034 -13.435 -25.478 1.00 40.83 ? 202 NAG A N2 1 HETATM 1241 O O3 . NAG C 2 . ? -6.357 -14.099 -27.074 1.00 47.61 ? 202 NAG A O3 1 HETATM 1242 O O4 . NAG C 2 . ? -8.807 -14.310 -25.570 1.00 49.68 ? 202 NAG A O4 1 HETATM 1243 O O5 . NAG C 2 . ? -6.255 -15.215 -23.117 1.00 42.45 ? 202 NAG A O5 1 HETATM 1244 O O6 . NAG C 2 . ? -8.068 -17.012 -22.874 1.00 48.83 ? 202 NAG A O6 1 HETATM 1245 O O7 . NAG C 2 . ? -3.123 -14.833 -26.975 1.00 44.57 ? 202 NAG A O7 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 ASP 1 1 1 ASP ASP A . n A 1 2 THR 2 2 2 THR THR 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 PRO 6 6 6 PRO PRO A . n A 1 7 CYS 7 7 7 CYS CYS 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 ALA 10 10 10 ALA ALA A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 PRO 13 13 13 PRO PRO A . n A 1 14 HIS 14 14 14 HIS HIS A . n A 1 15 CYS 15 15 15 CYS CYS A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 ASN 18 18 18 ASN ASN A . n A 1 19 ILE 19 19 19 ILE ILE A . n A 1 20 THR 20 20 20 THR THR A . n A 1 21 GLY 21 21 21 GLY GLY A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 LEU 24 24 24 LEU LEU A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 GLN 27 27 27 GLN GLN A . n A 1 28 GLY 28 28 ? ? ? A . n A 1 29 GLY 29 29 ? ? ? A . n A 1 30 TYR 30 30 ? ? ? A . n A 1 31 SER 31 31 ? ? ? A . n A 1 32 ASN 32 32 ? ? ? A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 ASN 34 34 34 ASN ASN A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 ILE 37 37 37 ILE ILE A . n A 1 38 PHE 38 38 38 PHE PHE A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 PRO 40 40 40 PRO PRO A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 TRP 45 45 45 TRP TRP A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 ILE 48 48 48 ILE ILE A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 CYS 51 51 51 CYS CYS A . n A 1 52 GLN 52 52 52 GLN GLN A . n A 1 53 ILE 53 53 53 ILE ILE A . n A 1 54 ALA 54 54 54 ALA ALA A . n A 1 55 GLY 55 55 55 GLY GLY A . n A 1 56 THR 56 56 56 THR THR A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 VAL 58 58 58 VAL VAL A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 THR 60 60 60 THR THR A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 PHE 63 63 63 PHE PHE A . n A 1 64 LEU 64 64 64 LEU LEU A . n A 1 65 ASN 65 65 65 ASN ASN A . n A 1 66 GLY 66 66 66 GLY GLY A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 LEU 68 68 68 LEU LEU A . n A 1 69 ALA 69 69 69 ALA ALA A . n A 1 70 GLU 70 70 70 GLU GLU A . n A 1 71 GLU 71 71 71 GLU GLU A . n A 1 72 GLU 72 72 72 GLU GLU A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 VAL 74 74 74 VAL VAL A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 ARG 76 76 76 ARG ARG A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 GLU 78 78 78 GLU GLU A . n A 1 79 ASP 79 79 79 ASP ASP A . n A 1 80 TRP 80 80 80 TRP TRP A . n A 1 81 ARG 81 81 81 ARG ARG A . n A 1 82 ASP 82 82 82 ASP ASP A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 ALA 84 84 84 ALA ALA A . n A 1 85 LYS 85 85 85 LYS LYS A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 CYS 88 88 88 CYS CYS A . n A 1 89 VAL 89 89 89 VAL VAL A . n A 1 90 GLN 90 90 90 GLN GLN A . n A 1 91 LEU 91 91 91 LEU LEU A . n A 1 92 ALA 92 92 92 ALA ALA A . n A 1 93 THR 93 93 93 THR THR A . n A 1 94 SER 94 94 94 SER SER A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 GLU 96 96 96 GLU GLU A . n A 1 97 ILE 97 97 97 ILE ILE A . n A 1 98 ALA 98 98 98 ALA ALA A . n A 1 99 CYS 99 99 99 CYS CYS A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 GLY 101 101 101 GLY GLY A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 HIS 104 104 104 HIS HIS A . n A 1 105 CYS 105 105 105 CYS CYS A . n A 1 106 ALA 106 106 106 ALA ALA A . n A 1 107 ILE 107 107 107 ILE ILE A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 ARG 109 109 109 ARG ARG A . n A 1 110 ALA 110 110 110 ALA ALA A . n A 1 111 LYS 111 111 111 LYS LYS A . n A 1 112 TRP 112 112 112 TRP TRP A . n A 1 113 ALA 113 113 113 ALA ALA A . n A 1 114 ASN 114 114 114 ASN ASN A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 LYS 117 117 117 LYS LYS A . n A 1 118 GLN 118 118 118 GLN GLN A . n A 1 119 ILE 119 119 119 ILE ILE A . n A 1 120 ALA 120 120 120 ALA ALA A . n A 1 121 SER 121 121 121 SER SER A . n A 1 122 LYS 122 122 122 LYS LYS A . n A 1 123 LEU 123 123 123 LEU LEU A . n A 1 124 ARG 124 124 124 ARG ARG A . n A 1 125 GLU 125 125 125 GLU GLU A . n A 1 126 GLN 126 126 126 GLN GLN A . n A 1 127 TYR 127 127 127 TYR TYR A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 ALA 129 129 129 ALA ALA A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 ILE 132 132 132 ILE ILE A . n A 1 133 ILE 133 133 133 ILE ILE A . n A 1 134 PHE 134 134 134 PHE PHE A . n A 1 135 LYS 135 135 135 LYS LYS A . n A 1 136 PRO 136 136 136 PRO PRO A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 SER 138 138 ? ? ? A . n A 1 139 GLY 139 139 ? ? ? A . n A 1 140 GLY 140 140 ? ? ? A . n A 1 141 ASP 141 141 141 ASP ASP A . n A 1 142 PRO 142 142 142 PRO PRO A . n A 1 143 GLU 143 143 143 GLU GLU A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 VAL 145 145 145 VAL VAL A . n A 1 146 ASN 146 146 146 ASN ASN A . n A 1 147 HIS 147 147 147 HIS HIS A . n A 1 148 SER 148 148 148 SER SER A . n A 1 149 PHE 149 149 149 PHE PHE A . n A 1 150 ASN 150 150 150 ASN ASN A . n A 1 151 CYS 151 151 151 CYS CYS A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 GLY 153 153 153 GLY GLY A . n A 1 154 GLU 154 154 154 GLU GLU A . n A 1 155 PHE 155 155 155 PHE PHE A . n A 1 156 PHE 156 156 156 PHE PHE A . n A 1 157 TYR 157 157 157 TYR TYR A . n A 1 158 CYS 158 158 158 CYS CYS A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 SER 160 160 160 SER SER A . n A 1 161 THR 161 161 161 THR THR A . n A 1 162 GLN 162 162 162 GLN GLN A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 SER 166 166 166 SER SER A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 TRP 168 168 168 TRP TRP A . n A 1 169 PHE 169 169 169 PHE PHE A . n A 1 170 ALA 170 170 170 ALA ALA A . n A 1 171 SER 171 171 ? ? ? A . n A 1 172 THR 172 172 ? ? ? A . n A 1 173 GLY 173 173 ? ? ? A . n A 1 174 THR 174 174 ? ? ? A . n A 1 175 LYS 175 175 ? ? ? A . n A 1 176 HIS 176 176 ? ? ? A . n A 1 177 HIS 177 177 ? ? ? A . n A 1 178 HIS 178 178 ? ? ? A . n A 1 179 HIS 179 179 ? ? ? A . n A 1 180 HIS 180 180 ? ? ? A . n A 1 181 HIS 181 181 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 201 1018 NAG NAG A . C 2 NAG 1 202 1065 NAG NAG A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 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 2016-10-05 2 'Structure model' 1 1 2017-09-20 # _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' 'Author supporting evidence' 2 2 'Structure model' 'Database references' 3 2 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' citation 2 2 'Structure model' pdbx_audit_support 3 2 'Structure model' pdbx_struct_oper_list # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_citation.journal_id_CSD' 2 2 'Structure model' '_pdbx_audit_support.funding_organization' 3 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 1 ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.20 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # 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 ? ? 67.31 -38.81 2 1 ASP A 79 ? ? -160.97 109.99 3 1 PHE A 164 ? ? -116.54 77.20 4 1 ALA A 165 ? ? -161.06 54.05 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ASP 1 ? CG ? A ASP 1 CG 2 1 Y 1 A ASP 1 ? OD1 ? A ASP 1 OD1 3 1 Y 1 A ASP 1 ? OD2 ? A ASP 1 OD2 4 1 Y 1 A ARG 46 ? CG ? A ARG 46 CG 5 1 Y 1 A ARG 46 ? CD ? A ARG 46 CD 6 1 Y 1 A ARG 46 ? NE ? A ARG 46 NE 7 1 Y 1 A ARG 46 ? CZ ? A ARG 46 CZ 8 1 Y 1 A ARG 46 ? NH1 ? A ARG 46 NH1 9 1 Y 1 A ARG 46 ? NH2 ? A ARG 46 NH2 10 1 Y 1 A ASP 47 ? CG ? A ASP 47 CG 11 1 Y 1 A ASP 47 ? OD1 ? A ASP 47 OD1 12 1 Y 1 A ASP 47 ? OD2 ? A ASP 47 OD2 13 1 Y 1 A ARG 50 ? CG ? A ARG 50 CG 14 1 Y 1 A ARG 50 ? CD ? A ARG 50 CD 15 1 Y 1 A ARG 50 ? NE ? A ARG 50 NE 16 1 Y 1 A ARG 50 ? CZ ? A ARG 50 CZ 17 1 Y 1 A ARG 50 ? NH1 ? A ARG 50 NH1 18 1 Y 1 A ARG 50 ? NH2 ? A ARG 50 NH2 19 1 Y 1 A ARG 81 ? CG ? A ARG 81 CG 20 1 Y 1 A ARG 81 ? CD ? A ARG 81 CD 21 1 Y 1 A ARG 81 ? NE ? A ARG 81 NE 22 1 Y 1 A ARG 81 ? CZ ? A ARG 81 CZ 23 1 Y 1 A ARG 81 ? NH1 ? A ARG 81 NH1 24 1 Y 1 A ARG 81 ? NH2 ? A ARG 81 NH2 25 1 Y 1 A GLU 143 ? CG ? A GLU 143 CG 26 1 Y 1 A GLU 143 ? CD ? A GLU 143 CD 27 1 Y 1 A GLU 143 ? OE1 ? A GLU 143 OE1 28 1 Y 1 A GLU 143 ? OE2 ? A GLU 143 OE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLY 28 ? A GLY 28 2 1 Y 1 A GLY 29 ? A GLY 29 3 1 Y 1 A TYR 30 ? A TYR 30 4 1 Y 1 A SER 31 ? A SER 31 5 1 Y 1 A ASN 32 ? A ASN 32 6 1 Y 1 A SER 138 ? A SER 138 7 1 Y 1 A GLY 139 ? A GLY 139 8 1 Y 1 A GLY 140 ? A GLY 140 9 1 Y 1 A SER 171 ? A SER 171 10 1 Y 1 A THR 172 ? A THR 172 11 1 Y 1 A GLY 173 ? A GLY 173 12 1 Y 1 A THR 174 ? A THR 174 13 1 Y 1 A LYS 175 ? A LYS 175 14 1 Y 1 A HIS 176 ? A HIS 176 15 1 Y 1 A HIS 177 ? A HIS 177 16 1 Y 1 A HIS 178 ? A HIS 178 17 1 Y 1 A HIS 179 ? A HIS 179 18 1 Y 1 A HIS 180 ? A HIS 180 19 1 Y 1 A HIS 181 ? A HIS 181 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'National Institutes of Health/National Institute Of Allergy and Infectious Diseases' 'United States' 'P01 AI82362' 1 'National Institutes of Health/National Institute Of Allergy and Infectious Diseases' 'United States' 'CHAVI-ID 1UM1AI100663' 2 CAVD 'United States' 'IAVI NAC Center' 3 'National Institutes of Health/National Institute Of Allergy and Infectious Diseases' 'United States' 'R01 AI084817' 4 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #