data_5IW3 # _entry.id 5IW3 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5IW3 WWPDB D_1000219488 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5IW6 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5IW3 _pdbx_database_status.recvd_initial_deposition_date 2016-03-21 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _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 'Tang, C.' 1 'Chen, Z.' 2 # _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 ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of anti-CD20 monoclonal antibody Fc fragment at 2.05 Angstroms resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Tang, C.' 1 primary 'Chen, Z.' 2 # _cell.entry_id 5IW3 _cell.length_a 64.158 _cell.length_b 143.096 _cell.length_c 56.556 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5IW3 _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 # 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 'Ig gamma-1 chain C region' 23636.711 1 ? 'UNP residues 119-326' 'D379E, L381M' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 3 ? ? ? ? 7 non-polymer nat 'ACETATE ION' 59.044 2 ? ? ? ? 8 water nat water 18.015 245 ? ? ? ? # _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 ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; _entity_poly.pdbx_seq_one_letter_code_can ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; _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 GLY n 1 2 GLY n 1 3 PRO n 1 4 SER n 1 5 VAL n 1 6 PHE n 1 7 LEU n 1 8 PHE n 1 9 PRO n 1 10 PRO n 1 11 LYS n 1 12 PRO n 1 13 LYS n 1 14 ASP n 1 15 THR n 1 16 LEU n 1 17 MET n 1 18 ILE n 1 19 SER n 1 20 ARG n 1 21 THR n 1 22 PRO n 1 23 GLU n 1 24 VAL n 1 25 THR n 1 26 CYS n 1 27 VAL n 1 28 VAL n 1 29 VAL n 1 30 ASP n 1 31 VAL n 1 32 SER n 1 33 HIS n 1 34 GLU n 1 35 ASP n 1 36 PRO n 1 37 GLU n 1 38 VAL n 1 39 LYS n 1 40 PHE n 1 41 ASN n 1 42 TRP n 1 43 TYR n 1 44 VAL n 1 45 ASP n 1 46 GLY n 1 47 VAL n 1 48 GLU n 1 49 VAL n 1 50 HIS n 1 51 ASN n 1 52 ALA n 1 53 LYS n 1 54 THR n 1 55 LYS n 1 56 PRO n 1 57 ARG n 1 58 GLU n 1 59 GLU n 1 60 GLN n 1 61 TYR n 1 62 ASN n 1 63 SER n 1 64 THR n 1 65 TYR n 1 66 ARG n 1 67 VAL n 1 68 VAL n 1 69 SER n 1 70 VAL n 1 71 LEU n 1 72 THR n 1 73 VAL n 1 74 LEU n 1 75 HIS n 1 76 GLN n 1 77 ASP n 1 78 TRP n 1 79 LEU n 1 80 ASN n 1 81 GLY n 1 82 LYS n 1 83 GLU n 1 84 TYR n 1 85 LYS n 1 86 CYS n 1 87 LYS n 1 88 VAL n 1 89 SER n 1 90 ASN n 1 91 LYS n 1 92 ALA n 1 93 LEU n 1 94 PRO n 1 95 ALA n 1 96 PRO n 1 97 ILE n 1 98 GLU n 1 99 LYS n 1 100 THR n 1 101 ILE n 1 102 SER n 1 103 LYS n 1 104 ALA n 1 105 LYS n 1 106 GLY n 1 107 GLN n 1 108 PRO n 1 109 ARG n 1 110 GLU n 1 111 PRO n 1 112 GLN n 1 113 VAL n 1 114 TYR n 1 115 THR n 1 116 LEU n 1 117 PRO n 1 118 PRO n 1 119 SER n 1 120 ARG n 1 121 GLU n 1 122 GLU n 1 123 MET n 1 124 THR n 1 125 LYS n 1 126 ASN n 1 127 GLN n 1 128 VAL n 1 129 SER n 1 130 LEU n 1 131 THR n 1 132 CYS n 1 133 LEU n 1 134 VAL n 1 135 LYS n 1 136 GLY n 1 137 PHE n 1 138 TYR n 1 139 PRO n 1 140 SER n 1 141 ASP n 1 142 ILE n 1 143 ALA n 1 144 VAL n 1 145 GLU n 1 146 TRP n 1 147 GLU n 1 148 SER n 1 149 ASN n 1 150 GLY n 1 151 GLN n 1 152 PRO n 1 153 GLU n 1 154 ASN n 1 155 ASN n 1 156 TYR n 1 157 LYS n 1 158 THR n 1 159 THR n 1 160 PRO n 1 161 PRO n 1 162 VAL n 1 163 LEU n 1 164 ASP n 1 165 SER n 1 166 ASP n 1 167 GLY n 1 168 SER n 1 169 PHE n 1 170 PHE n 1 171 LEU n 1 172 TYR n 1 173 SER n 1 174 LYS n 1 175 LEU n 1 176 THR n 1 177 VAL n 1 178 ASP n 1 179 LYS n 1 180 SER n 1 181 ARG n 1 182 TRP n 1 183 GLN n 1 184 GLN n 1 185 GLY n 1 186 ASN n 1 187 VAL n 1 188 PHE n 1 189 SER n 1 190 CYS n 1 191 SER n 1 192 VAL n 1 193 MET n 1 194 HIS n 1 195 GLU n 1 196 ALA n 1 197 LEU n 1 198 HIS n 1 199 ASN n 1 200 HIS n 1 201 TYR n 1 202 THR n 1 203 GLN n 1 204 LYS n 1 205 SER n 1 206 LEU n 1 207 SER n 1 208 LEU 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 208 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene IGHG1 _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Bos taurus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9913 _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 UNP _struct_ref.db_code IGHG1_HUMAN _struct_ref.pdbx_db_accession P01857 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL ; _struct_ref.pdbx_align_begin 119 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5IW3 _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 208 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P01857 _struct_ref_seq.db_align_beg 119 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 326 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 259 _struct_ref_seq.pdbx_auth_seq_align_end 466 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5IW3 GLU A 121 ? UNP P01857 ASP 239 'engineered mutation' 379 1 1 5IW3 MET A 123 ? UNP P01857 LEU 241 'engineered mutation' 381 2 # 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 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 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 HOH non-polymer . WATER ? 'H2 O' 18.015 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 5IW3 _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 2.75 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 55.21 _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 ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '30% PEG 400, 0.1 M NaAc pH4.6, 0.1M CdSO4' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 80 _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 CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-04-12 # _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 0.97915 _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 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97915 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5IW3 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.05 _reflns.d_resolution_low 50.0 _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 17005 _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 ? _reflns.percent_possible_obs 98.1 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.076 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 14.0 _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 ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.05 _reflns_shell.d_res_low 2.10 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.9 _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 82.6 _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 3.6 _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 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5IW3 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 15767 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.00 _refine.ls_d_res_high 2.05 _refine.ls_percent_reflns_obs 98.08 _refine.ls_R_factor_obs 0.19006 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18917 _refine.ls_R_factor_R_free 0.20731 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 796 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.948 _refine.correlation_coeff_Fo_to_Fc_free 0.938 _refine.B_iso_mean 26.866 _refine.aniso_B[1][1] 0.03 _refine.aniso_B[2][2] 0.05 _refine.aniso_B[3][3] -0.08 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 1L6X _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.200 _refine.pdbx_overall_ESU_R_Free 0.154 _refine.overall_SU_ML 0.097 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.564 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1620 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 123 _refine_hist.number_atoms_solvent 245 _refine_hist.number_atoms_total 1988 _refine_hist.d_res_high 2.05 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.009 0.020 ? 1793 'X-RAY DIFFRACTION' ? r_bond_other_d 0.006 0.020 ? 1593 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.436 2.033 ? 2462 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.793 3.000 ? 3677 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.281 5.000 ? 207 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.475 25.286 ? 70 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.680 15.000 ? 265 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.354 15.000 ? 4 'X-RAY DIFFRACTION' ? r_chiral_restr 0.228 0.200 ? 296 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.021 ? 1910 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 362 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.547 2.479 ? 833 'X-RAY DIFFRACTION' ? r_mcbond_other 1.521 2.475 ? 830 'X-RAY DIFFRACTION' ? r_mcangle_it 2.591 3.705 ? 1037 'X-RAY DIFFRACTION' ? r_mcangle_other 2.590 3.706 ? 1038 'X-RAY DIFFRACTION' ? r_scbond_it 2.104 2.838 ? 959 'X-RAY DIFFRACTION' ? r_scbond_other 2.103 2.838 ? 960 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 3.061 4.180 ? 1426 'X-RAY DIFFRACTION' ? r_long_range_B_refined 5.997 22.288 ? 2041 'X-RAY DIFFRACTION' ? r_long_range_B_other 5.609 21.731 ? 1970 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.045 _refine_ls_shell.d_res_low 2.098 _refine_ls_shell.number_reflns_R_work 1095 _refine_ls_shell.R_factor_R_work 0.241 _refine_ls_shell.percent_reflns_obs 92.83 _refine_ls_shell.R_factor_R_free 0.243 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 57 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 5IW3 _struct.title 'anti-CD20 monoclonal antibody Fc fragment' _struct.pdbx_descriptor 'Ig gamma-1 chain C region' _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 5IW3 _struct_keywords.text 'Glycosylation, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # 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 ? D N N 3 ? E N N 4 ? F N N 2 ? G N N 4 ? H N N 2 ? I N N 5 ? J N N 6 ? K N N 6 ? L N N 6 ? M N N 7 ? N N N 7 ? O N N 8 ? # 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 LYS A 11 ? MET A 17 ? LYS A 269 MET A 275 1 ? 7 HELX_P HELX_P2 AA2 LEU A 74 ? ASN A 80 ? LEU A 332 ASN A 338 1 ? 7 HELX_P HELX_P3 AA3 SER A 119 ? LYS A 125 ? SER A 377 LYS A 383 5 ? 7 HELX_P HELX_P4 AA4 LYS A 179 ? GLN A 184 ? LYS A 437 GLN A 442 1 ? 6 HELX_P HELX_P5 AA5 LEU A 197 ? TYR A 201 ? LEU A 455 TYR A 459 5 ? 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 26 SG ? ? ? 1_555 A CYS 86 SG ? ? A CYS 284 A CYS 344 1_555 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 132 SG ? ? ? 1_555 A CYS 190 SG ? ? A CYS 390 A CYS 448 1_555 ? ? ? ? ? ? ? 2.043 ? covale1 covale one ? A ASN 62 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 320 A NAG 501 1_555 ? ? ? ? ? ? ? 1.436 ? covale2 covale both ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? covale3 covale both ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.433 ? covale4 covale one ? D BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? A BMA 503 A MAN 506 1_555 ? ? ? ? ? ? ? 1.444 ? covale5 covale one ? D BMA . O6 ? ? ? 1_555 E MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.401 ? covale6 covale one ? E MAN . O2 ? ? ? 1_555 F NAG . C1 ? ? A MAN 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.431 ? covale7 covale both ? F NAG . O4 ? ? ? 1_555 I GAL . C1 ? ? A NAG 505 A GAL 508 1_555 ? ? ? ? ? ? ? 1.452 ? covale8 covale one ? G MAN . O2 ? ? ? 1_555 H NAG . C1 ? ? A MAN 506 A NAG 507 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 TYR _struct_mon_prot_cis.label_seq_id 138 _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 TYR _struct_mon_prot_cis.auth_seq_id 396 _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_2 139 _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_2 397 _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 -4.14 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? # 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 AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? 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 SER A 4 ? PHE A 8 ? SER A 262 PHE A 266 AA1 2 GLU A 23 ? SER A 32 ? GLU A 281 SER A 290 AA1 3 THR A 64 ? THR A 72 ? THR A 322 THR A 330 AA1 4 LYS A 53 ? THR A 54 ? LYS A 311 THR A 312 AA2 1 SER A 4 ? PHE A 8 ? SER A 262 PHE A 266 AA2 2 GLU A 23 ? SER A 32 ? GLU A 281 SER A 290 AA2 3 THR A 64 ? THR A 72 ? THR A 322 THR A 330 AA2 4 GLU A 58 ? GLU A 59 ? GLU A 316 GLU A 317 AA3 1 VAL A 47 ? VAL A 49 ? VAL A 305 VAL A 307 AA3 2 LYS A 39 ? VAL A 44 ? LYS A 297 VAL A 302 AA3 3 TYR A 84 ? SER A 89 ? TYR A 342 SER A 347 AA3 4 ILE A 97 ? ILE A 101 ? ILE A 355 ILE A 359 AA4 1 GLN A 112 ? LEU A 116 ? GLN A 370 LEU A 374 AA4 2 GLN A 127 ? PHE A 137 ? GLN A 385 PHE A 395 AA4 3 PHE A 169 ? ASP A 178 ? PHE A 427 ASP A 436 AA4 4 TYR A 156 ? THR A 158 ? TYR A 414 THR A 416 AA5 1 GLN A 112 ? LEU A 116 ? GLN A 370 LEU A 374 AA5 2 GLN A 127 ? PHE A 137 ? GLN A 385 PHE A 395 AA5 3 PHE A 169 ? ASP A 178 ? PHE A 427 ASP A 436 AA5 4 VAL A 162 ? LEU A 163 ? VAL A 420 LEU A 421 AA6 1 GLN A 151 ? GLU A 153 ? GLN A 409 GLU A 411 AA6 2 ALA A 143 ? SER A 148 ? ALA A 401 SER A 406 AA6 3 PHE A 188 ? MET A 193 ? PHE A 446 MET A 451 AA6 4 THR A 202 ? LEU A 206 ? THR A 460 LEU A 464 # 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 N PHE A 6 ? N PHE A 264 O VAL A 27 ? O VAL A 285 AA1 2 3 N CYS A 26 ? N CYS A 284 O SER A 69 ? O SER A 327 AA1 3 4 O VAL A 70 ? O VAL A 328 N LYS A 53 ? N LYS A 311 AA2 1 2 N PHE A 6 ? N PHE A 264 O VAL A 27 ? O VAL A 285 AA2 2 3 N CYS A 26 ? N CYS A 284 O SER A 69 ? O SER A 327 AA2 3 4 O ARG A 66 ? O ARG A 324 N GLU A 58 ? N GLU A 316 AA3 1 2 O VAL A 47 ? O VAL A 305 N VAL A 44 ? N VAL A 302 AA3 2 3 N ASN A 41 ? N ASN A 299 O LYS A 87 ? O LYS A 345 AA3 3 4 N VAL A 88 ? N VAL A 346 O ILE A 97 ? O ILE A 355 AA4 1 2 N LEU A 116 ? N LEU A 374 O THR A 131 ? O THR A 389 AA4 2 3 N LEU A 130 ? N LEU A 388 O LEU A 175 ? O LEU A 433 AA4 3 4 O LYS A 174 ? O LYS A 432 N LYS A 157 ? N LYS A 415 AA5 1 2 N LEU A 116 ? N LEU A 374 O THR A 131 ? O THR A 389 AA5 2 3 N LEU A 130 ? N LEU A 388 O LEU A 175 ? O LEU A 433 AA5 3 4 O PHE A 170 ? O PHE A 428 N VAL A 162 ? N VAL A 420 AA6 1 2 O GLU A 153 ? O GLU A 411 N TRP A 146 ? N TRP A 404 AA6 2 3 N GLU A 145 ? N GLU A 403 O SER A 191 ? O SER A 449 AA6 3 4 N PHE A 188 ? N PHE A 446 O LEU A 206 ? O LEU A 464 # 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 SO4 509 ? 4 'binding site for residue SO4 A 509' AC2 Software A SO4 510 ? 3 'binding site for residue SO4 A 510' AC3 Software A SO4 511 ? 3 'binding site for residue SO4 A 511' AC4 Software A ACT 512 ? 3 'binding site for residue ACT A 512' AC5 Software A ACT 513 ? 1 'binding site for residue ACT A 513' AC6 Software A ASN 320 ? 18 'binding site for Poly-Saccharide residues NAG A 501 through GAL A 508 bound to ASN A 320' # 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 4 ASN A 126 ? ASN A 384 . ? 1_555 ? 2 AC1 4 ASP A 178 ? ASP A 436 . ? 1_555 ? 3 AC1 4 LYS A 179 ? LYS A 437 . ? 1_555 ? 4 AC1 4 SER A 180 ? SER A 438 . ? 1_555 ? 5 AC2 3 HIS A 33 ? HIS A 291 . ? 1_555 ? 6 AC2 3 GLU A 59 ? GLU A 317 . ? 1_555 ? 7 AC2 3 TYR A 65 ? TYR A 323 . ? 1_555 ? 8 AC3 3 LYS A 85 ? LYS A 343 . ? 1_555 ? 9 AC3 3 GLU A 98 ? GLU A 356 . ? 1_555 ? 10 AC3 3 HOH O . ? HOH A 632 . ? 1_555 ? 11 AC4 3 THR A 54 ? THR A 312 . ? 1_555 ? 12 AC4 3 SER A 69 ? SER A 327 . ? 1_555 ? 13 AC4 3 HOH O . ? HOH A 668 . ? 1_555 ? 14 AC5 1 GLU A 110 ? GLU A 368 . ? 1_555 ? 15 AC6 18 PHE A 8 ? PHE A 266 . ? 1_555 ? 16 AC6 18 PRO A 9 ? PRO A 267 . ? 1_555 ? 17 AC6 18 LYS A 11 ? LYS A 269 . ? 1_555 ? 18 AC6 18 GLU A 23 ? GLU A 281 . ? 1_555 ? 19 AC6 18 THR A 25 ? THR A 283 . ? 1_555 ? 20 AC6 18 ASP A 30 ? ASP A 288 . ? 1_555 ? 21 AC6 18 GLN A 60 ? GLN A 318 . ? 1_555 ? 22 AC6 18 ASN A 62 ? ASN A 320 . ? 1_555 ? 23 AC6 18 ARG A 66 ? ARG A 324 . ? 1_555 ? 24 AC6 18 HOH O . ? HOH A 609 . ? 1_555 ? 25 AC6 18 HOH O . ? HOH A 616 . ? 1_555 ? 26 AC6 18 HOH O . ? HOH A 640 . ? 3_655 ? 27 AC6 18 HOH O . ? HOH A 640 . ? 1_555 ? 28 AC6 18 HOH O . ? HOH A 656 . ? 1_555 ? 29 AC6 18 HOH O . ? HOH A 669 . ? 1_555 ? 30 AC6 18 HOH O . ? HOH A 691 . ? 1_555 ? 31 AC6 18 HOH O . ? HOH A 717 . ? 1_555 ? 32 AC6 18 HOH O . ? HOH A 731 . ? 1_555 ? # _atom_sites.entry_id 5IW3 _atom_sites.fract_transf_matrix[1][1] 0.015587 _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] 0.006988 _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] 0.017682 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? 28.787 56.337 11.490 1.00 55.02 ? 259 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 28.505 57.695 10.939 1.00 54.91 ? 259 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 27.435 57.630 9.867 1.00 52.84 ? 259 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 26.252 57.493 10.181 1.00 54.87 ? 259 GLY A O 1 ATOM 5 N N . GLY A 1 2 ? 27.857 57.727 8.607 1.00 46.91 ? 260 GLY A N 1 ATOM 6 C CA . GLY A 1 2 ? 26.970 57.530 7.460 1.00 43.02 ? 260 GLY A CA 1 ATOM 7 C C . GLY A 1 2 ? 26.595 56.064 7.295 1.00 38.39 ? 260 GLY A C 1 ATOM 8 O O . GLY A 1 2 ? 26.840 55.251 8.193 1.00 35.56 ? 260 GLY A O 1 ATOM 9 N N . PRO A 1 3 ? 25.980 55.715 6.152 1.00 35.34 ? 261 PRO A N 1 ATOM 10 C CA . PRO A 1 3 ? 25.487 54.343 5.987 1.00 32.91 ? 261 PRO A CA 1 ATOM 11 C C . PRO A 1 3 ? 26.588 53.313 5.842 1.00 29.49 ? 261 PRO A C 1 ATOM 12 O O . PRO A 1 3 ? 27.691 53.647 5.418 1.00 30.16 ? 261 PRO A O 1 ATOM 13 C CB . PRO A 1 3 ? 24.656 54.400 4.696 1.00 33.69 ? 261 PRO A CB 1 ATOM 14 C CG . PRO A 1 3 ? 24.372 55.829 4.454 1.00 33.99 ? 261 PRO A CG 1 ATOM 15 C CD . PRO A 1 3 ? 25.417 56.639 5.155 1.00 34.72 ? 261 PRO A CD 1 ATOM 16 N N . SER A 1 4 ? 26.274 52.074 6.204 1.00 26.50 ? 262 SER A N 1 ATOM 17 C CA . SER A 1 4 ? 27.135 50.924 5.935 1.00 25.88 ? 262 SER A CA 1 ATOM 18 C C . SER A 1 4 ? 26.372 49.898 5.119 1.00 24.04 ? 262 SER A C 1 ATOM 19 O O . SER A 1 4 ? 25.153 49.794 5.235 1.00 23.25 ? 262 SER A O 1 ATOM 20 C CB . SER A 1 4 ? 27.604 50.252 7.225 1.00 27.15 ? 262 SER A CB 1 ATOM 21 O OG . SER A 1 4 ? 28.386 51.122 8.007 1.00 30.51 ? 262 SER A OG 1 ATOM 22 N N . VAL A 1 5 ? 27.117 49.117 4.335 1.00 22.07 ? 263 VAL A N 1 ATOM 23 C CA . VAL A 1 5 ? 26.565 48.117 3.446 1.00 22.05 ? 263 VAL A CA 1 ATOM 24 C C . VAL A 1 5 ? 27.113 46.750 3.804 1.00 21.92 ? 263 VAL A C 1 ATOM 25 O O . VAL A 1 5 ? 28.320 46.604 4.062 1.00 21.74 ? 263 VAL A O 1 ATOM 26 C CB . VAL A 1 5 ? 26.899 48.421 1.974 1.00 22.28 ? 263 VAL A CB 1 ATOM 27 C CG1 . VAL A 1 5 ? 26.189 47.458 1.040 1.00 22.75 ? 263 VAL A CG1 1 ATOM 28 C CG2 . VAL A 1 5 ? 26.516 49.850 1.629 1.00 22.58 ? 263 VAL A CG2 1 ATOM 29 N N . PHE A 1 6 ? 26.214 45.768 3.865 1.00 20.47 ? 264 PHE A N 1 ATOM 30 C CA . PHE A 1 6 ? 26.573 44.367 4.031 1.00 20.65 ? 264 PHE A CA 1 ATOM 31 C C . PHE A 1 6 ? 25.888 43.561 2.942 1.00 19.83 ? 264 PHE A C 1 ATOM 32 O O . PHE A 1 6 ? 24.687 43.699 2.733 1.00 18.62 ? 264 PHE A O 1 ATOM 33 C CB . PHE A 1 6 ? 26.161 43.882 5.417 1.00 22.99 ? 264 PHE A CB 1 ATOM 34 C CG . PHE A 1 6 ? 26.783 44.687 6.515 1.00 23.79 ? 264 PHE A CG 1 ATOM 35 C CD1 . PHE A 1 6 ? 28.092 44.442 6.907 1.00 25.32 ? 264 PHE A CD1 1 ATOM 36 C CD2 . PHE A 1 6 ? 26.097 45.744 7.091 1.00 24.97 ? 264 PHE A CD2 1 ATOM 37 C CE1 . PHE A 1 6 ? 28.692 45.208 7.898 1.00 25.56 ? 264 PHE A CE1 1 ATOM 38 C CE2 . PHE A 1 6 ? 26.691 46.519 8.078 1.00 25.86 ? 264 PHE A CE2 1 ATOM 39 C CZ . PHE A 1 6 ? 27.991 46.253 8.481 1.00 25.47 ? 264 PHE A CZ 1 ATOM 40 N N . LEU A 1 7 ? 26.668 42.722 2.257 1.00 18.66 ? 265 LEU A N 1 ATOM 41 C CA . LEU A 1 7 ? 26.185 41.948 1.134 1.00 19.27 ? 265 LEU A CA 1 ATOM 42 C C . LEU A 1 7 ? 26.246 40.482 1.489 1.00 19.62 ? 265 LEU A C 1 ATOM 43 O O . LEU A 1 7 ? 27.298 39.968 1.862 1.00 20.02 ? 265 LEU A O 1 ATOM 44 C CB . LEU A 1 7 ? 27.036 42.237 -0.113 1.00 19.81 ? 265 LEU A CB 1 ATOM 45 C CG . LEU A 1 7 ? 26.642 41.602 -1.456 1.00 20.28 ? 265 LEU A CG 1 ATOM 46 C CD1 . LEU A 1 7 ? 25.216 41.958 -1.863 1.00 20.14 ? 265 LEU A CD1 1 ATOM 47 C CD2 . LEU A 1 7 ? 27.634 42.067 -2.502 1.00 20.33 ? 265 LEU A CD2 1 ATOM 48 N N . PHE A 1 8 ? 25.124 39.793 1.330 1.00 18.23 ? 266 PHE A N 1 ATOM 49 C CA . PHE A 1 8 ? 25.007 38.436 1.792 1.00 18.41 ? 266 PHE A CA 1 ATOM 50 C C . PHE A 1 8 ? 24.727 37.479 0.641 1.00 18.80 ? 266 PHE A C 1 ATOM 51 O O . PHE A 1 8 ? 23.952 37.819 -0.272 1.00 18.06 ? 266 PHE A O 1 ATOM 52 C CB . PHE A 1 8 ? 23.896 38.311 2.822 1.00 18.61 ? 266 PHE A CB 1 ATOM 53 C CG . PHE A 1 8 ? 24.139 39.103 4.081 1.00 20.11 ? 266 PHE A CG 1 ATOM 54 C CD1 . PHE A 1 8 ? 24.866 38.553 5.148 1.00 21.03 ? 266 PHE A CD1 1 ATOM 55 C CD2 . PHE A 1 8 ? 23.613 40.372 4.219 1.00 20.01 ? 266 PHE A CD2 1 ATOM 56 C CE1 . PHE A 1 8 ? 25.084 39.289 6.313 1.00 21.66 ? 266 PHE A CE1 1 ATOM 57 C CE2 . PHE A 1 8 ? 23.817 41.115 5.381 1.00 21.24 ? 266 PHE A CE2 1 ATOM 58 C CZ . PHE A 1 8 ? 24.561 40.577 6.428 1.00 21.58 ? 266 PHE A CZ 1 ATOM 59 N N . PRO A 1 9 ? 25.306 36.259 0.721 1.00 19.10 ? 267 PRO A N 1 ATOM 60 C CA . PRO A 1 9 ? 25.147 35.220 -0.285 1.00 20.02 ? 267 PRO A CA 1 ATOM 61 C C . PRO A 1 9 ? 23.824 34.480 -0.138 1.00 19.80 ? 267 PRO A C 1 ATOM 62 O O . PRO A 1 9 ? 23.125 34.671 0.839 1.00 18.56 ? 267 PRO A O 1 ATOM 63 C CB . PRO A 1 9 ? 26.316 34.278 0.021 1.00 20.12 ? 267 PRO A CB 1 ATOM 64 C CG . PRO A 1 9 ? 26.451 34.354 1.507 1.00 20.14 ? 267 PRO A CG 1 ATOM 65 C CD . PRO A 1 9 ? 26.138 35.784 1.854 1.00 20.10 ? 267 PRO A CD 1 ATOM 66 N N . PRO A 1 10 ? 23.475 33.648 -1.116 1.00 21.29 ? 268 PRO A N 1 ATOM 67 C CA . PRO A 1 10 ? 22.319 32.788 -0.903 1.00 22.52 ? 268 PRO A CA 1 ATOM 68 C C . PRO A 1 10 ? 22.582 31.690 0.118 1.00 25.82 ? 268 PRO A C 1 ATOM 69 O O . PRO A 1 10 ? 23.720 31.464 0.529 1.00 22.93 ? 268 PRO A O 1 ATOM 70 C CB . PRO A 1 10 ? 22.059 32.174 -2.271 1.00 22.50 ? 268 PRO A CB 1 ATOM 71 C CG . PRO A 1 10 ? 23.314 32.360 -3.061 1.00 22.05 ? 268 PRO A CG 1 ATOM 72 C CD . PRO A 1 10 ? 24.120 33.443 -2.425 1.00 21.61 ? 268 PRO A CD 1 ATOM 73 N N . LYS A 1 11 ? 21.505 31.043 0.548 1.00 29.04 ? 269 LYS A N 1 ATOM 74 C CA . LYS A 1 11 ? 21.595 29.876 1.401 1.00 29.88 ? 269 LYS A CA 1 ATOM 75 C C . LYS A 1 11 ? 22.017 28.723 0.526 1.00 30.34 ? 269 LYS A C 1 ATOM 76 O O . LYS A 1 11 ? 21.468 28.560 -0.565 1.00 28.55 ? 269 LYS A O 1 ATOM 77 C CB . LYS A 1 11 ? 20.240 29.559 2.027 1.00 30.96 ? 269 LYS A CB 1 ATOM 78 C CG . LYS A 1 11 ? 19.818 30.568 3.064 1.00 32.88 ? 269 LYS A CG 1 ATOM 79 N N . PRO A 1 12 ? 22.978 27.903 1.004 1.00 32.06 ? 270 PRO A N 1 ATOM 80 C CA . PRO A 1 12 ? 23.483 26.771 0.234 1.00 33.01 ? 270 PRO A CA 1 ATOM 81 C C . PRO A 1 12 ? 22.370 25.888 -0.285 1.00 33.12 ? 270 PRO A C 1 ATOM 82 O O . PRO A 1 12 ? 22.398 25.462 -1.440 1.00 33.53 ? 270 PRO A O 1 ATOM 83 C CB . PRO A 1 12 ? 24.327 26.000 1.255 1.00 34.83 ? 270 PRO A CB 1 ATOM 84 C CG . PRO A 1 12 ? 24.760 27.006 2.255 1.00 34.04 ? 270 PRO A CG 1 ATOM 85 C CD . PRO A 1 12 ? 23.736 28.108 2.254 1.00 34.13 ? 270 PRO A CD 1 ATOM 86 N N . LYS A 1 13 ? 21.385 25.647 0.575 1.00 35.32 ? 271 LYS A N 1 ATOM 87 C CA . LYS A 1 13 ? 20.242 24.802 0.238 1.00 36.67 ? 271 LYS A CA 1 ATOM 88 C C . LYS A 1 13 ? 19.482 25.381 -0.953 1.00 33.37 ? 271 LYS A C 1 ATOM 89 O O . LYS A 1 13 ? 19.126 24.657 -1.871 1.00 34.30 ? 271 LYS A O 1 ATOM 90 C CB . LYS A 1 13 ? 19.313 24.662 1.459 1.00 39.04 ? 271 LYS A CB 1 ATOM 91 C CG . LYS A 1 13 ? 18.703 23.282 1.631 1.00 41.34 ? 271 LYS A CG 1 ATOM 92 C CD . LYS A 1 13 ? 18.167 23.082 3.043 1.00 41.62 ? 271 LYS A CD 1 ATOM 93 N N . ASP A 1 14 ? 19.263 26.695 -0.936 1.00 32.52 ? 272 ASP A N 1 ATOM 94 C CA . ASP A 1 14 ? 18.537 27.377 -2.003 1.00 30.81 ? 272 ASP A CA 1 ATOM 95 C C . ASP A 1 14 ? 19.261 27.289 -3.343 1.00 29.54 ? 272 ASP A C 1 ATOM 96 O O . ASP A 1 14 ? 18.611 27.223 -4.382 1.00 28.11 ? 272 ASP A O 1 ATOM 97 C CB . ASP A 1 14 ? 18.281 28.839 -1.630 1.00 32.32 ? 272 ASP A CB 1 ATOM 98 C CG . ASP A 1 14 ? 17.313 28.995 -0.449 1.00 33.67 ? 272 ASP A CG 1 ATOM 99 O OD1 . ASP A 1 14 ? 16.656 28.010 -0.065 1.00 34.57 ? 272 ASP A OD1 1 ATOM 100 O OD2 . ASP A 1 14 ? 17.210 30.116 0.086 1.00 33.78 ? 272 ASP A OD2 1 ATOM 101 N N . THR A 1 15 ? 20.595 27.263 -3.322 1.00 27.82 ? 273 THR A N 1 ATOM 102 C CA . THR A 1 15 ? 21.359 27.128 -4.564 1.00 27.16 ? 273 THR A CA 1 ATOM 103 C C . THR A 1 15 ? 21.422 25.687 -5.054 1.00 27.97 ? 273 THR A C 1 ATOM 104 O O . THR A 1 15 ? 21.729 25.448 -6.212 1.00 29.41 ? 273 THR A O 1 ATOM 105 C CB . THR A 1 15 ? 22.810 27.653 -4.429 1.00 26.65 ? 273 THR A CB 1 ATOM 106 O OG1 . THR A 1 15 ? 23.570 26.798 -3.560 1.00 23.07 ? 273 THR A OG1 1 ATOM 107 C CG2 . THR A 1 15 ? 22.822 29.088 -3.890 1.00 26.39 ? 273 THR A CG2 1 ATOM 108 N N . LEU A 1 16 ? 21.176 24.739 -4.160 1.00 30.06 ? 274 LEU A N 1 ATOM 109 C CA . LEU A 1 16 ? 21.266 23.307 -4.477 1.00 33.11 ? 274 LEU A CA 1 ATOM 110 C C . LEU A 1 16 ? 19.895 22.643 -4.619 1.00 37.92 ? 274 LEU A C 1 ATOM 111 O O . LEU A 1 16 ? 19.787 21.600 -5.264 1.00 39.05 ? 274 LEU A O 1 ATOM 112 C CB . LEU A 1 16 ? 22.086 22.570 -3.405 1.00 31.59 ? 274 LEU A CB 1 ATOM 113 C CG . LEU A 1 16 ? 23.542 23.042 -3.225 1.00 30.72 ? 274 LEU A CG 1 ATOM 114 C CD1 . LEU A 1 16 ? 24.143 22.537 -1.915 1.00 29.52 ? 274 LEU A CD1 1 ATOM 115 C CD2 . LEU A 1 16 ? 24.399 22.622 -4.408 1.00 29.47 ? 274 LEU A CD2 1 ATOM 116 N N . MET A 1 17 ? 18.857 23.227 -4.015 1.00 43.12 ? 275 MET A N 1 ATOM 117 C CA . MET A 1 17 ? 17.471 22.710 -4.163 1.00 47.09 ? 275 MET A CA 1 ATOM 118 C C . MET A 1 17 ? 16.737 23.369 -5.316 1.00 46.17 ? 275 MET A C 1 ATOM 119 O O . MET A 1 17 ? 16.656 24.594 -5.380 1.00 44.87 ? 275 MET A O 1 ATOM 120 C CB . MET A 1 17 ? 16.656 22.955 -2.896 1.00 49.82 ? 275 MET A CB 1 ATOM 121 C CG . MET A 1 17 ? 16.991 22.018 -1.755 1.00 53.34 ? 275 MET A CG 1 ATOM 122 S SD . MET A 1 17 ? 16.085 22.389 -0.243 1.00 62.31 ? 275 MET A SD 1 ATOM 123 N N . ILE A 1 18 ? 16.178 22.545 -6.200 1.00 51.39 ? 276 ILE A N 1 ATOM 124 C CA . ILE A 1 18 ? 15.377 23.010 -7.344 1.00 54.53 ? 276 ILE A CA 1 ATOM 125 C C . ILE A 1 18 ? 14.139 23.793 -6.905 1.00 57.28 ? 276 ILE A C 1 ATOM 126 O O . ILE A 1 18 ? 13.646 24.652 -7.636 1.00 58.97 ? 276 ILE A O 1 ATOM 127 C CB . ILE A 1 18 ? 14.910 21.827 -8.215 1.00 53.41 ? 276 ILE A CB 1 ATOM 128 N N . SER A 1 19 ? 13.649 23.482 -5.709 1.00 59.08 ? 277 SER A N 1 ATOM 129 C CA . SER A 1 19 ? 12.470 24.129 -5.139 1.00 60.16 ? 277 SER A CA 1 ATOM 130 C C . SER A 1 19 ? 12.686 25.609 -4.816 1.00 59.91 ? 277 SER A C 1 ATOM 131 O O . SER A 1 19 ? 11.877 26.460 -5.203 1.00 61.09 ? 277 SER A O 1 ATOM 132 C CB . SER A 1 19 ? 12.038 23.384 -3.870 1.00 59.04 ? 277 SER A CB 1 ATOM 133 O OG . SER A 1 19 ? 13.166 22.865 -3.189 1.00 58.93 ? 277 SER A OG 1 ATOM 134 N N . ARG A 1 20 ? 13.778 25.911 -4.119 1.00 55.82 ? 278 ARG A N 1 ATOM 135 C CA . ARG A 1 20 ? 13.933 27.220 -3.481 1.00 53.12 ? 278 ARG A CA 1 ATOM 136 C C . ARG A 1 20 ? 14.618 28.273 -4.356 1.00 50.29 ? 278 ARG A C 1 ATOM 137 O O . ARG A 1 20 ? 15.211 27.954 -5.391 1.00 52.05 ? 278 ARG A O 1 ATOM 138 C CB . ARG A 1 20 ? 14.626 27.056 -2.136 1.00 53.35 ? 278 ARG A CB 1 ATOM 139 C CG . ARG A 1 20 ? 13.776 26.269 -1.152 1.00 54.97 ? 278 ARG A CG 1 ATOM 140 C CD . ARG A 1 20 ? 14.605 25.428 -0.195 1.00 56.89 ? 278 ARG A CD 1 ATOM 141 N NE . ARG A 1 20 ? 14.995 26.156 1.008 1.00 57.68 ? 278 ARG A NE 1 ATOM 142 N N . THR A 1 21 ? 14.493 29.531 -3.931 1.00 43.18 ? 279 THR A N 1 ATOM 143 C CA . THR A 1 21 ? 14.883 30.689 -4.737 1.00 40.22 ? 279 THR A CA 1 ATOM 144 C C . THR A 1 21 ? 16.115 31.381 -4.148 1.00 32.58 ? 279 THR A C 1 ATOM 145 O O . THR A 1 21 ? 16.016 32.069 -3.136 1.00 31.87 ? 279 THR A O 1 ATOM 146 C CB . THR A 1 21 ? 13.728 31.702 -4.839 1.00 42.43 ? 279 THR A CB 1 ATOM 147 O OG1 . THR A 1 21 ? 12.573 31.045 -5.376 1.00 47.97 ? 279 THR A OG1 1 ATOM 148 C CG2 . THR A 1 21 ? 14.107 32.871 -5.760 1.00 42.79 ? 279 THR A CG2 1 ATOM 149 N N . PRO A 1 22 ? 17.282 31.181 -4.774 1.00 28.51 ? 280 PRO A N 1 ATOM 150 C CA . PRO A 1 22 ? 18.482 31.801 -4.238 1.00 25.32 ? 280 PRO A CA 1 ATOM 151 C C . PRO A 1 22 ? 18.527 33.297 -4.545 1.00 22.68 ? 280 PRO A C 1 ATOM 152 O O . PRO A 1 22 ? 18.160 33.742 -5.636 1.00 20.36 ? 280 PRO A O 1 ATOM 153 C CB . PRO A 1 22 ? 19.614 31.044 -4.927 1.00 26.18 ? 280 PRO A CB 1 ATOM 154 C CG . PRO A 1 22 ? 19.027 30.511 -6.184 1.00 27.04 ? 280 PRO A CG 1 ATOM 155 C CD . PRO A 1 22 ? 17.561 30.340 -5.957 1.00 28.21 ? 280 PRO A CD 1 ATOM 156 N N . GLU A 1 23 ? 18.955 34.069 -3.564 1.00 21.95 ? 281 GLU A N 1 ATOM 157 C CA . GLU A 1 23 ? 19.093 35.498 -3.754 1.00 22.26 ? 281 GLU A CA 1 ATOM 158 C C . GLU A 1 23 ? 20.297 36.056 -3.010 1.00 20.43 ? 281 GLU A C 1 ATOM 159 O O . GLU A 1 23 ? 20.747 35.521 -1.968 1.00 19.36 ? 281 GLU A O 1 ATOM 160 C CB . GLU A 1 23 ? 17.803 36.213 -3.352 1.00 25.37 ? 281 GLU A CB 1 ATOM 161 C CG . GLU A 1 23 ? 17.314 35.853 -1.972 1.00 28.94 ? 281 GLU A CG 1 ATOM 162 C CD . GLU A 1 23 ? 15.839 36.175 -1.734 1.00 32.06 ? 281 GLU A CD 1 ATOM 163 O OE1 . GLU A 1 23 ? 14.969 35.851 -2.577 1.00 36.74 ? 281 GLU A OE1 1 ATOM 164 O OE2 . GLU A 1 23 ? 15.561 36.744 -0.672 1.00 32.92 ? 281 GLU A OE2 1 ATOM 165 N N . VAL A 1 24 ? 20.832 37.121 -3.588 1.00 18.15 ? 282 VAL A N 1 ATOM 166 C CA . VAL A 1 24 ? 21.875 37.909 -2.989 1.00 17.74 ? 282 VAL A CA 1 ATOM 167 C C . VAL A 1 24 ? 21.202 39.140 -2.412 1.00 17.08 ? 282 VAL A C 1 ATOM 168 O O . VAL A 1 24 ? 20.314 39.729 -3.046 1.00 16.74 ? 282 VAL A O 1 ATOM 169 C CB . VAL A 1 24 ? 22.957 38.248 -4.032 1.00 18.41 ? 282 VAL A CB 1 ATOM 170 C CG1 . VAL A 1 24 ? 24.027 39.123 -3.433 1.00 19.28 ? 282 VAL A CG1 1 ATOM 171 C CG2 . VAL A 1 24 ? 23.581 36.961 -4.535 1.00 18.82 ? 282 VAL A CG2 1 ATOM 172 N N . THR A 1 25 ? 21.604 39.509 -1.201 1.00 15.97 ? 283 THR A N 1 ATOM 173 C CA . THR A 1 25 ? 20.923 40.551 -0.437 1.00 16.46 ? 283 THR A CA 1 ATOM 174 C C . THR A 1 25 ? 21.902 41.632 -0.034 1.00 16.65 ? 283 THR A C 1 ATOM 175 O O . THR A 1 25 ? 22.904 41.345 0.623 1.00 16.48 ? 283 THR A O 1 ATOM 176 C CB . THR A 1 25 ? 20.268 39.934 0.812 1.00 16.24 ? 283 THR A CB 1 ATOM 177 O OG1 . THR A 1 25 ? 19.489 38.812 0.402 1.00 15.76 ? 283 THR A OG1 1 ATOM 178 C CG2 . THR A 1 25 ? 19.373 40.922 1.530 1.00 16.45 ? 283 THR A CG2 1 ATOM 179 N N . CYS A 1 26 ? 21.611 42.858 -0.457 1.00 16.37 ? 284 CYS A N 1 ATOM 180 C CA . CYS A 1 26 ? 22.431 44.012 -0.177 1.00 17.02 ? 284 CYS A CA 1 ATOM 181 C C . CYS A 1 26 ? 21.723 44.870 0.864 1.00 17.26 ? 284 CYS A C 1 ATOM 182 O O . CYS A 1 26 ? 20.680 45.462 0.578 1.00 16.98 ? 284 CYS A O 1 ATOM 183 C CB . CYS A 1 26 ? 22.639 44.802 -1.461 1.00 18.04 ? 284 CYS A CB 1 ATOM 184 S SG . CYS A 1 26 ? 23.819 46.157 -1.314 1.00 19.40 ? 284 CYS A SG 1 ATOM 185 N N . VAL A 1 27 ? 22.286 44.900 2.071 1.00 17.38 ? 285 VAL A N 1 ATOM 186 C CA . VAL A 1 27 ? 21.666 45.550 3.236 1.00 17.64 ? 285 VAL A CA 1 ATOM 187 C C . VAL A 1 27 ? 22.413 46.847 3.532 1.00 18.23 ? 285 VAL A C 1 ATOM 188 O O . VAL A 1 27 ? 23.651 46.863 3.639 1.00 17.26 ? 285 VAL A O 1 ATOM 189 C CB . VAL A 1 27 ? 21.688 44.629 4.477 1.00 17.52 ? 285 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 27 ? 20.999 45.279 5.683 1.00 17.96 ? 285 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 27 ? 21.009 43.307 4.160 1.00 17.51 ? 285 VAL A CG2 1 ATOM 192 N N . VAL A 1 28 ? 21.648 47.927 3.654 1.00 18.39 ? 286 VAL A N 1 ATOM 193 C CA . VAL A 1 28 ? 22.166 49.243 3.976 1.00 19.84 ? 286 VAL A CA 1 ATOM 194 C C . VAL A 1 28 ? 21.603 49.663 5.340 1.00 21.26 ? 286 VAL A C 1 ATOM 195 O O . VAL A 1 28 ? 20.392 49.873 5.495 1.00 20.68 ? 286 VAL A O 1 ATOM 196 C CB . VAL A 1 28 ? 21.742 50.298 2.929 1.00 19.88 ? 286 VAL A CB 1 ATOM 197 C CG1 . VAL A 1 28 ? 22.479 51.611 3.175 1.00 19.36 ? 286 VAL A CG1 1 ATOM 198 C CG2 . VAL A 1 28 ? 22.015 49.802 1.510 1.00 19.40 ? 286 VAL A CG2 1 ATOM 199 N N . VAL A 1 29 ? 22.484 49.793 6.314 1.00 22.11 ? 287 VAL A N 1 ATOM 200 C CA . VAL A 1 29 ? 22.084 50.252 7.639 1.00 24.56 ? 287 VAL A CA 1 ATOM 201 C C . VAL A 1 29 ? 22.552 51.678 7.896 1.00 25.17 ? 287 VAL A C 1 ATOM 202 O O . VAL A 1 29 ? 23.379 52.215 7.164 1.00 25.56 ? 287 VAL A O 1 ATOM 203 C CB . VAL A 1 29 ? 22.568 49.291 8.741 1.00 24.87 ? 287 VAL A CB 1 ATOM 204 C CG1 . VAL A 1 29 ? 22.072 47.888 8.444 1.00 25.71 ? 287 VAL A CG1 1 ATOM 205 C CG2 . VAL A 1 29 ? 24.079 49.291 8.854 1.00 25.06 ? 287 VAL A CG2 1 ATOM 206 N N . ASP A 1 30 ? 21.978 52.283 8.930 1.00 27.12 ? 288 ASP A N 1 ATOM 207 C CA . ASP A 1 30 ? 22.267 53.668 9.319 1.00 28.60 ? 288 ASP A CA 1 ATOM 208 C C . ASP A 1 30 ? 21.979 54.662 8.220 1.00 27.55 ? 288 ASP A C 1 ATOM 209 O O . ASP A 1 30 ? 22.720 55.614 8.016 1.00 28.57 ? 288 ASP A O 1 ATOM 210 C CB . ASP A 1 30 ? 23.703 53.815 9.808 1.00 29.90 ? 288 ASP A CB 1 ATOM 211 C CG . ASP A 1 30 ? 23.951 53.030 11.059 1.00 32.15 ? 288 ASP A CG 1 ATOM 212 O OD1 . ASP A 1 30 ? 22.973 52.772 11.787 1.00 33.74 ? 288 ASP A OD1 1 ATOM 213 O OD2 . ASP A 1 30 ? 25.112 52.655 11.308 1.00 35.92 ? 288 ASP A OD2 1 ATOM 214 N N . VAL A 1 31 ? 20.889 54.423 7.511 1.00 27.75 ? 289 VAL A N 1 ATOM 215 C CA . VAL A 1 31 ? 20.366 55.398 6.586 1.00 27.13 ? 289 VAL A CA 1 ATOM 216 C C . VAL A 1 31 ? 19.625 56.435 7.423 1.00 27.91 ? 289 VAL A C 1 ATOM 217 O O . VAL A 1 31 ? 18.807 56.085 8.268 1.00 26.89 ? 289 VAL A O 1 ATOM 218 C CB . VAL A 1 31 ? 19.452 54.729 5.561 1.00 25.82 ? 289 VAL A CB 1 ATOM 219 C CG1 . VAL A 1 31 ? 18.793 55.769 4.662 1.00 25.96 ? 289 VAL A CG1 1 ATOM 220 C CG2 . VAL A 1 31 ? 20.264 53.732 4.744 1.00 25.54 ? 289 VAL A CG2 1 ATOM 221 N N . SER A 1 32 ? 19.940 57.705 7.203 1.00 30.48 ? 290 SER A N 1 ATOM 222 C CA . SER A 1 32 ? 19.402 58.786 8.029 1.00 32.75 ? 290 SER A CA 1 ATOM 223 C C . SER A 1 32 ? 17.967 59.134 7.651 1.00 34.07 ? 290 SER A C 1 ATOM 224 O O . SER A 1 32 ? 17.521 58.891 6.524 1.00 34.65 ? 290 SER A O 1 ATOM 225 C CB . SER A 1 32 ? 20.278 60.045 7.907 1.00 33.64 ? 290 SER A CB 1 ATOM 226 O OG . SER A 1 32 ? 20.096 60.685 6.647 1.00 33.12 ? 290 SER A OG 1 ATOM 227 N N . HIS A 1 33 ? 17.259 59.725 8.605 1.00 35.71 ? 291 HIS A N 1 ATOM 228 C CA . HIS A 1 33 ? 15.968 60.351 8.344 1.00 38.16 ? 291 HIS A CA 1 ATOM 229 C C . HIS A 1 33 ? 16.064 61.561 7.419 1.00 39.69 ? 291 HIS A C 1 ATOM 230 O O . HIS A 1 33 ? 15.093 61.887 6.747 1.00 42.09 ? 291 HIS A O 1 ATOM 231 C CB . HIS A 1 33 ? 15.308 60.769 9.650 1.00 38.70 ? 291 HIS A CB 1 ATOM 232 C CG . HIS A 1 33 ? 14.522 59.676 10.291 1.00 40.52 ? 291 HIS A CG 1 ATOM 233 N ND1 . HIS A 1 33 ? 13.159 59.752 10.470 1.00 42.37 ? 291 HIS A ND1 1 ATOM 234 C CD2 . HIS A 1 33 ? 14.901 58.465 10.768 1.00 42.17 ? 291 HIS A CD2 1 ATOM 235 C CE1 . HIS A 1 33 ? 12.734 58.643 11.048 1.00 43.79 ? 291 HIS A CE1 1 ATOM 236 N NE2 . HIS A 1 33 ? 13.772 57.846 11.243 1.00 42.86 ? 291 HIS A NE2 1 ATOM 237 N N . GLU A 1 34 ? 17.217 62.227 7.406 1.00 40.30 ? 292 GLU A N 1 ATOM 238 C CA . GLU A 1 34 ? 17.462 63.371 6.514 1.00 41.50 ? 292 GLU A CA 1 ATOM 239 C C . GLU A 1 34 ? 17.656 62.969 5.045 1.00 43.60 ? 292 GLU A C 1 ATOM 240 O O . GLU A 1 34 ? 17.397 63.768 4.140 1.00 43.50 ? 292 GLU A O 1 ATOM 241 C CB . GLU A 1 34 ? 18.707 64.126 6.972 1.00 41.40 ? 292 GLU A CB 1 ATOM 242 N N . ASP A 1 35 ? 18.138 61.744 4.827 1.00 42.27 ? 293 ASP A N 1 ATOM 243 C CA . ASP A 1 35 ? 18.517 61.254 3.500 1.00 40.51 ? 293 ASP A CA 1 ATOM 244 C C . ASP A 1 35 ? 18.127 59.785 3.399 1.00 35.71 ? 293 ASP A C 1 ATOM 245 O O . ASP A 1 35 ? 18.996 58.917 3.425 1.00 34.75 ? 293 ASP A O 1 ATOM 246 C CB . ASP A 1 35 ? 20.044 61.366 3.279 1.00 42.65 ? 293 ASP A CB 1 ATOM 247 C CG . ASP A 1 35 ? 20.569 62.807 3.331 1.00 48.12 ? 293 ASP A CG 1 ATOM 248 O OD1 . ASP A 1 35 ? 19.843 63.750 2.932 1.00 49.22 ? 293 ASP A OD1 1 ATOM 249 O OD2 . ASP A 1 35 ? 21.738 62.986 3.754 1.00 49.59 ? 293 ASP A OD2 1 ATOM 250 N N . PRO A 1 36 ? 16.824 59.493 3.290 1.00 32.43 ? 294 PRO A N 1 ATOM 251 C CA . PRO A 1 36 ? 16.405 58.096 3.269 1.00 31.82 ? 294 PRO A CA 1 ATOM 252 C C . PRO A 1 36 ? 16.510 57.425 1.907 1.00 30.22 ? 294 PRO A C 1 ATOM 253 O O . PRO A 1 36 ? 16.388 56.211 1.838 1.00 30.63 ? 294 PRO A O 1 ATOM 254 C CB . PRO A 1 36 ? 14.943 58.176 3.675 1.00 31.99 ? 294 PRO A CB 1 ATOM 255 C CG . PRO A 1 36 ? 14.494 59.462 3.071 1.00 32.76 ? 294 PRO A CG 1 ATOM 256 C CD . PRO A 1 36 ? 15.662 60.400 3.257 1.00 33.65 ? 294 PRO A CD 1 ATOM 257 N N . GLU A 1 37 ? 16.699 58.203 0.842 1.00 29.08 ? 295 GLU A N 1 ATOM 258 C CA . GLU A 1 37 ? 16.777 57.653 -0.508 1.00 27.73 ? 295 GLU A CA 1 ATOM 259 C C . GLU A 1 37 ? 18.107 56.954 -0.724 1.00 26.40 ? 295 GLU A C 1 ATOM 260 O O . GLU A 1 37 ? 19.177 57.549 -0.550 1.00 24.63 ? 295 GLU A O 1 ATOM 261 C CB . GLU A 1 37 ? 16.583 58.752 -1.560 1.00 28.47 ? 295 GLU A CB 1 ATOM 262 N N . VAL A 1 38 ? 18.055 55.677 -1.081 1.00 25.32 ? 296 VAL A N 1 ATOM 263 C CA . VAL A 1 38 ? 19.273 55.017 -1.499 1.00 25.94 ? 296 VAL A CA 1 ATOM 264 C C . VAL A 1 38 ? 19.081 54.465 -2.893 1.00 25.00 ? 296 VAL A C 1 ATOM 265 O O . VAL A 1 38 ? 18.052 53.873 -3.202 1.00 26.39 ? 296 VAL A O 1 ATOM 266 C CB . VAL A 1 38 ? 19.854 53.969 -0.493 1.00 26.22 ? 296 VAL A CB 1 ATOM 267 C CG1 . VAL A 1 38 ? 19.218 54.057 0.884 1.00 26.63 ? 296 VAL A CG1 1 ATOM 268 C CG2 . VAL A 1 38 ? 19.813 52.567 -1.044 1.00 26.41 ? 296 VAL A CG2 1 ATOM 269 N N . LYS A 1 39 ? 20.079 54.699 -3.729 1.00 24.56 ? 297 LYS A N 1 ATOM 270 C CA . LYS A 1 39 ? 20.122 54.157 -5.077 1.00 24.77 ? 297 LYS A CA 1 ATOM 271 C C . LYS A 1 39 ? 21.006 52.913 -5.047 1.00 22.96 ? 297 LYS A C 1 ATOM 272 O O . LYS A 1 39 ? 22.097 52.928 -4.476 1.00 23.96 ? 297 LYS A O 1 ATOM 273 C CB . LYS A 1 39 ? 20.698 55.207 -6.029 1.00 27.32 ? 297 LYS A CB 1 ATOM 274 C CG . LYS A 1 39 ? 20.651 54.831 -7.503 1.00 30.48 ? 297 LYS A CG 1 ATOM 275 C CD . LYS A 1 39 ? 21.124 55.981 -8.386 1.00 32.88 ? 297 LYS A CD 1 ATOM 276 C CE . LYS A 1 39 ? 22.641 56.126 -8.358 1.00 35.36 ? 297 LYS A CE 1 ATOM 277 N N . PHE A 1 40 ? 20.514 51.838 -5.644 1.00 20.73 ? 298 PHE A N 1 ATOM 278 C CA . PHE A 1 40 ? 21.266 50.610 -5.828 1.00 19.82 ? 298 PHE A CA 1 ATOM 279 C C . PHE A 1 40 ? 21.595 50.445 -7.311 1.00 20.60 ? 298 PHE A C 1 ATOM 280 O O . PHE A 1 40 ? 20.723 50.611 -8.163 1.00 21.36 ? 298 PHE A O 1 ATOM 281 C CB . PHE A 1 40 ? 20.418 49.403 -5.423 1.00 18.42 ? 298 PHE A CB 1 ATOM 282 C CG . PHE A 1 40 ? 20.113 49.313 -3.961 1.00 16.68 ? 298 PHE A CG 1 ATOM 283 C CD1 . PHE A 1 40 ? 20.970 48.628 -3.097 1.00 16.43 ? 298 PHE A CD1 1 ATOM 284 C CD2 . PHE A 1 40 ? 18.952 49.861 -3.450 1.00 16.25 ? 298 PHE A CD2 1 ATOM 285 C CE1 . PHE A 1 40 ? 20.683 48.526 -1.745 1.00 15.44 ? 298 PHE A CE1 1 ATOM 286 C CE2 . PHE A 1 40 ? 18.650 49.747 -2.105 1.00 15.98 ? 298 PHE A CE2 1 ATOM 287 C CZ . PHE A 1 40 ? 19.520 49.077 -1.257 1.00 15.48 ? 298 PHE A CZ 1 ATOM 288 N N . ASN A 1 41 ? 22.841 50.122 -7.614 1.00 20.03 ? 299 ASN A N 1 ATOM 289 C CA . ASN A 1 41 ? 23.176 49.537 -8.894 1.00 19.99 ? 299 ASN A CA 1 ATOM 290 C C . ASN A 1 41 ? 23.706 48.126 -8.661 1.00 18.86 ? 299 ASN A C 1 ATOM 291 O O . ASN A 1 41 ? 24.547 47.919 -7.797 1.00 18.58 ? 299 ASN A O 1 ATOM 292 C CB . ASN A 1 41 ? 24.197 50.378 -9.647 1.00 21.67 ? 299 ASN A CB 1 ATOM 293 C CG . ASN A 1 41 ? 23.652 51.749 -10.016 1.00 23.90 ? 299 ASN A CG 1 ATOM 294 O OD1 . ASN A 1 41 ? 23.077 51.940 -11.090 1.00 26.74 ? 299 ASN A OD1 1 ATOM 295 N ND2 . ASN A 1 41 ? 23.801 52.698 -9.117 1.00 24.46 ? 299 ASN A ND2 1 ATOM 296 N N . TRP A 1 42 ? 23.205 47.171 -9.442 1.00 17.54 ? 300 TRP A N 1 ATOM 297 C CA . TRP A 1 42 ? 23.642 45.783 -9.364 1.00 17.49 ? 300 TRP A CA 1 ATOM 298 C C . TRP A 1 42 ? 24.374 45.384 -10.633 1.00 18.09 ? 300 TRP A C 1 ATOM 299 O O . TRP A 1 42 ? 23.981 45.775 -11.728 1.00 18.39 ? 300 TRP A O 1 ATOM 300 C CB . TRP A 1 42 ? 22.440 44.880 -9.214 1.00 17.55 ? 300 TRP A CB 1 ATOM 301 C CG . TRP A 1 42 ? 21.840 44.840 -7.858 1.00 17.61 ? 300 TRP A CG 1 ATOM 302 C CD1 . TRP A 1 42 ? 20.801 45.597 -7.396 1.00 17.64 ? 300 TRP A CD1 1 ATOM 303 C CD2 . TRP A 1 42 ? 22.191 43.941 -6.799 1.00 17.14 ? 300 TRP A CD2 1 ATOM 304 N NE1 . TRP A 1 42 ? 20.492 45.224 -6.112 1.00 18.13 ? 300 TRP A NE1 1 ATOM 305 C CE2 . TRP A 1 42 ? 21.342 44.220 -5.718 1.00 17.73 ? 300 TRP A CE2 1 ATOM 306 C CE3 . TRP A 1 42 ? 23.149 42.931 -6.661 1.00 17.55 ? 300 TRP A CE3 1 ATOM 307 C CZ2 . TRP A 1 42 ? 21.404 43.506 -4.512 1.00 17.23 ? 300 TRP A CZ2 1 ATOM 308 C CZ3 . TRP A 1 42 ? 23.218 42.232 -5.463 1.00 17.22 ? 300 TRP A CZ3 1 ATOM 309 C CH2 . TRP A 1 42 ? 22.341 42.522 -4.407 1.00 16.71 ? 300 TRP A CH2 1 ATOM 310 N N . TYR A 1 43 ? 25.432 44.597 -10.484 1.00 19.12 ? 301 TYR A N 1 ATOM 311 C CA . TYR A 1 43 ? 26.191 44.091 -11.630 1.00 19.80 ? 301 TYR A CA 1 ATOM 312 C C . TYR A 1 43 ? 26.437 42.614 -11.446 1.00 20.37 ? 301 TYR A C 1 ATOM 313 O O . TYR A 1 43 ? 26.769 42.161 -10.352 1.00 20.35 ? 301 TYR A O 1 ATOM 314 C CB . TYR A 1 43 ? 27.530 44.836 -11.799 1.00 20.21 ? 301 TYR A CB 1 ATOM 315 C CG . TYR A 1 43 ? 27.389 46.336 -11.762 1.00 21.65 ? 301 TYR A CG 1 ATOM 316 C CD1 . TYR A 1 43 ? 27.212 46.989 -10.563 1.00 23.06 ? 301 TYR A CD1 1 ATOM 317 C CD2 . TYR A 1 43 ? 27.380 47.107 -12.940 1.00 22.97 ? 301 TYR A CD2 1 ATOM 318 C CE1 . TYR A 1 43 ? 27.044 48.361 -10.505 1.00 23.79 ? 301 TYR A CE1 1 ATOM 319 C CE2 . TYR A 1 43 ? 27.214 48.486 -12.890 1.00 23.09 ? 301 TYR A CE2 1 ATOM 320 C CZ . TYR A 1 43 ? 27.048 49.097 -11.657 1.00 24.19 ? 301 TYR A CZ 1 ATOM 321 O OH . TYR A 1 43 ? 26.884 50.442 -11.522 1.00 25.18 ? 301 TYR A OH 1 ATOM 322 N N . VAL A 1 44 ? 26.263 41.855 -12.519 1.00 20.85 ? 302 VAL A N 1 ATOM 323 C CA . VAL A 1 44 ? 26.624 40.450 -12.538 1.00 21.77 ? 302 VAL A CA 1 ATOM 324 C C . VAL A 1 44 ? 27.760 40.300 -13.557 1.00 23.83 ? 302 VAL A C 1 ATOM 325 O O . VAL A 1 44 ? 27.578 40.588 -14.749 1.00 24.03 ? 302 VAL A O 1 ATOM 326 C CB . VAL A 1 44 ? 25.432 39.559 -12.918 1.00 21.34 ? 302 VAL A CB 1 ATOM 327 C CG1 . VAL A 1 44 ? 25.843 38.090 -12.946 1.00 22.08 ? 302 VAL A CG1 1 ATOM 328 C CG2 . VAL A 1 44 ? 24.288 39.777 -11.936 1.00 21.91 ? 302 VAL A CG2 1 ATOM 329 N N . ASP A 1 45 ? 28.926 39.881 -13.081 1.00 25.40 ? 303 ASP A N 1 ATOM 330 C CA . ASP A 1 45 ? 30.149 39.865 -13.910 1.00 27.33 ? 303 ASP A CA 1 ATOM 331 C C . ASP A 1 45 ? 30.404 41.205 -14.590 1.00 25.51 ? 303 ASP A C 1 ATOM 332 O O . ASP A 1 45 ? 30.757 41.265 -15.766 1.00 24.37 ? 303 ASP A O 1 ATOM 333 C CB . ASP A 1 45 ? 30.058 38.751 -14.959 1.00 30.24 ? 303 ASP A CB 1 ATOM 334 C CG . ASP A 1 45 ? 30.307 37.398 -14.374 1.00 32.91 ? 303 ASP A CG 1 ATOM 335 O OD1 . ASP A 1 45 ? 30.770 37.327 -13.214 1.00 34.35 ? 303 ASP A OD1 1 ATOM 336 O OD2 . ASP A 1 45 ? 30.065 36.401 -15.089 1.00 41.11 ? 303 ASP A OD2 1 ATOM 337 N N . GLY A 1 46 ? 30.192 42.287 -13.855 1.00 23.88 ? 304 GLY A N 1 ATOM 338 C CA . GLY A 1 46 ? 30.373 43.619 -14.408 1.00 24.81 ? 304 GLY A CA 1 ATOM 339 C C . GLY A 1 46 ? 29.263 44.112 -15.317 1.00 25.03 ? 304 GLY A C 1 ATOM 340 O O . GLY A 1 46 ? 29.293 45.256 -15.753 1.00 25.30 ? 304 GLY A O 1 ATOM 341 N N . VAL A 1 47 ? 28.279 43.269 -15.619 1.00 26.48 ? 305 VAL A N 1 ATOM 342 C CA . VAL A 1 47 ? 27.170 43.700 -16.455 1.00 26.79 ? 305 VAL A CA 1 ATOM 343 C C . VAL A 1 47 ? 26.071 44.190 -15.537 1.00 26.70 ? 305 VAL A C 1 ATOM 344 O O . VAL A 1 47 ? 25.625 43.443 -14.655 1.00 26.10 ? 305 VAL A O 1 ATOM 345 C CB . VAL A 1 47 ? 26.633 42.553 -17.331 1.00 27.61 ? 305 VAL A CB 1 ATOM 346 C CG1 . VAL A 1 47 ? 25.519 43.053 -18.237 1.00 29.12 ? 305 VAL A CG1 1 ATOM 347 C CG2 . VAL A 1 47 ? 27.763 41.942 -18.149 1.00 28.40 ? 305 VAL A CG2 1 ATOM 348 N N . GLU A 1 48 ? 25.615 45.422 -15.749 1.00 25.21 ? 306 GLU A N 1 ATOM 349 C CA . GLU A 1 48 ? 24.519 45.953 -14.954 1.00 25.68 ? 306 GLU A CA 1 ATOM 350 C C . GLU A 1 48 ? 23.219 45.217 -15.252 1.00 25.49 ? 306 GLU A C 1 ATOM 351 O O . GLU A 1 48 ? 22.906 44.967 -16.404 1.00 24.93 ? 306 GLU A O 1 ATOM 352 C CB . GLU A 1 48 ? 24.347 47.451 -15.174 1.00 27.13 ? 306 GLU A CB 1 ATOM 353 C CG . GLU A 1 48 ? 23.305 48.057 -14.250 1.00 29.77 ? 306 GLU A CG 1 ATOM 354 C CD . GLU A 1 48 ? 23.428 49.558 -14.085 1.00 32.47 ? 306 GLU A CD 1 ATOM 355 O OE1 . GLU A 1 48 ? 24.242 50.170 -14.798 1.00 35.50 ? 306 GLU A OE1 1 ATOM 356 O OE2 . GLU A 1 48 ? 22.702 50.129 -13.235 1.00 33.77 ? 306 GLU A OE2 1 ATOM 357 N N . VAL A 1 49 ? 22.490 44.837 -14.201 1.00 25.42 ? 307 VAL A N 1 ATOM 358 C CA . VAL A 1 49 ? 21.169 44.194 -14.334 1.00 24.60 ? 307 VAL A CA 1 ATOM 359 C C . VAL A 1 49 ? 20.123 45.070 -13.657 1.00 24.82 ? 307 VAL A C 1 ATOM 360 O O . VAL A 1 49 ? 20.455 45.928 -12.829 1.00 24.86 ? 307 VAL A O 1 ATOM 361 C CB . VAL A 1 49 ? 21.138 42.774 -13.724 1.00 24.70 ? 307 VAL A CB 1 ATOM 362 C CG1 . VAL A 1 49 ? 22.028 41.816 -14.508 1.00 23.93 ? 307 VAL A CG1 1 ATOM 363 C CG2 . VAL A 1 49 ? 21.540 42.792 -12.248 1.00 24.31 ? 307 VAL A CG2 1 ATOM 364 N N . HIS A 1 50 ? 18.860 44.843 -13.988 1.00 25.52 ? 308 HIS A N 1 ATOM 365 C CA . HIS A 1 50 ? 17.780 45.755 -13.595 1.00 27.36 ? 308 HIS A CA 1 ATOM 366 C C . HIS A 1 50 ? 16.569 45.077 -12.968 1.00 26.09 ? 308 HIS A C 1 ATOM 367 O O . HIS A 1 50 ? 15.529 45.701 -12.809 1.00 26.16 ? 308 HIS A O 1 ATOM 368 C CB . HIS A 1 50 ? 17.348 46.610 -14.808 1.00 30.42 ? 308 HIS A CB 1 ATOM 369 C CG . HIS A 1 50 ? 18.387 47.596 -15.228 1.00 31.50 ? 308 HIS A CG 1 ATOM 370 N ND1 . HIS A 1 50 ? 19.373 47.290 -16.141 1.00 34.06 ? 308 HIS A ND1 1 ATOM 371 C CD2 . HIS A 1 50 ? 18.639 48.859 -14.808 1.00 34.17 ? 308 HIS A CD2 1 ATOM 372 C CE1 . HIS A 1 50 ? 20.170 48.332 -16.287 1.00 33.92 ? 308 HIS A CE1 1 ATOM 373 N NE2 . HIS A 1 50 ? 19.750 49.295 -15.487 1.00 34.66 ? 308 HIS A NE2 1 ATOM 374 N N . ASN A 1 51 ? 16.715 43.831 -12.553 1.00 24.58 ? 309 ASN A N 1 ATOM 375 C CA . ASN A 1 51 ? 15.592 43.099 -11.964 1.00 24.66 ? 309 ASN A CA 1 ATOM 376 C C . ASN A 1 51 ? 15.677 42.926 -10.438 1.00 22.65 ? 309 ASN A C 1 ATOM 377 O O . ASN A 1 51 ? 14.973 42.085 -9.876 1.00 20.85 ? 309 ASN A O 1 ATOM 378 C CB . ASN A 1 51 ? 15.498 41.728 -12.621 1.00 26.13 ? 309 ASN A CB 1 ATOM 379 C CG . ASN A 1 51 ? 16.784 40.948 -12.486 1.00 28.24 ? 309 ASN A CG 1 ATOM 380 O OD1 . ASN A 1 51 ? 17.873 41.479 -12.721 1.00 26.27 ? 309 ASN A OD1 1 ATOM 381 N ND2 . ASN A 1 51 ? 16.674 39.696 -12.068 1.00 31.81 ? 309 ASN A ND2 1 ATOM 382 N N . ALA A 1 52 ? 16.517 43.711 -9.753 1.00 20.21 ? 310 ALA A N 1 ATOM 383 C CA . ALA A 1 52 ? 16.519 43.670 -8.284 1.00 19.22 ? 310 ALA A CA 1 ATOM 384 C C . ALA A 1 52 ? 15.218 44.270 -7.759 1.00 18.20 ? 310 ALA A C 1 ATOM 385 O O . ALA A 1 52 ? 14.563 45.044 -8.458 1.00 16.36 ? 310 ALA A O 1 ATOM 386 C CB . ALA A 1 52 ? 17.702 44.425 -7.713 1.00 19.60 ? 310 ALA A CB 1 ATOM 387 N N . LYS A 1 53 ? 14.840 43.886 -6.546 1.00 17.70 ? 311 LYS A N 1 ATOM 388 C CA . LYS A 1 53 ? 13.652 44.416 -5.889 1.00 18.65 ? 311 LYS A CA 1 ATOM 389 C C . LYS A 1 53 ? 14.037 44.923 -4.518 1.00 18.02 ? 311 LYS A C 1 ATOM 390 O O . LYS A 1 53 ? 14.807 44.281 -3.806 1.00 16.93 ? 311 LYS A O 1 ATOM 391 C CB . LYS A 1 53 ? 12.609 43.332 -5.684 1.00 20.81 ? 311 LYS A CB 1 ATOM 392 C CG . LYS A 1 53 ? 11.974 42.757 -6.940 1.00 23.79 ? 311 LYS A CG 1 ATOM 393 C CD . LYS A 1 53 ? 11.165 41.528 -6.535 1.00 26.55 ? 311 LYS A CD 1 ATOM 394 C CE . LYS A 1 53 ? 10.057 41.190 -7.501 1.00 29.10 ? 311 LYS A CE 1 ATOM 395 N NZ . LYS A 1 53 ? 10.599 40.638 -8.765 1.00 31.76 ? 311 LYS A NZ 1 ATOM 396 N N . THR A 1 54 ? 13.476 46.057 -4.139 1.00 16.92 ? 312 THR A N 1 ATOM 397 C CA . THR A 1 54 ? 13.746 46.635 -2.838 1.00 17.57 ? 312 THR A CA 1 ATOM 398 C C . THR A 1 54 ? 12.673 46.129 -1.877 1.00 18.63 ? 312 THR A C 1 ATOM 399 O O . THR A 1 54 ? 11.499 46.156 -2.187 1.00 19.20 ? 312 THR A O 1 ATOM 400 C CB . THR A 1 54 ? 13.731 48.171 -2.909 1.00 17.63 ? 312 THR A CB 1 ATOM 401 O OG1 . THR A 1 54 ? 14.663 48.615 -3.921 1.00 16.94 ? 312 THR A OG1 1 ATOM 402 C CG2 . THR A 1 54 ? 14.045 48.805 -1.528 1.00 17.79 ? 312 THR A CG2 1 ATOM 403 N N . LYS A 1 55 ? 13.110 45.669 -0.714 1.00 20.82 ? 313 LYS A N 1 ATOM 404 C CA . LYS A 1 55 ? 12.234 45.232 0.359 1.00 21.96 ? 313 LYS A CA 1 ATOM 405 C C . LYS A 1 55 ? 11.531 46.441 0.971 1.00 21.14 ? 313 LYS A C 1 ATOM 406 O O . LYS A 1 55 ? 11.941 47.586 0.745 1.00 19.99 ? 313 LYS A O 1 ATOM 407 C CB . LYS A 1 55 ? 13.041 44.526 1.468 1.00 23.40 ? 313 LYS A CB 1 ATOM 408 C CG . LYS A 1 55 ? 13.948 43.394 1.019 1.00 26.02 ? 313 LYS A CG 1 ATOM 409 C CD . LYS A 1 55 ? 13.195 42.228 0.410 1.00 29.71 ? 313 LYS A CD 1 ATOM 410 C CE . LYS A 1 55 ? 12.671 41.266 1.461 1.00 32.29 ? 313 LYS A CE 1 ATOM 411 N NZ . LYS A 1 55 ? 12.044 40.100 0.781 1.00 34.46 ? 313 LYS A NZ 1 ATOM 412 N N . PRO A 1 56 ? 10.465 46.196 1.753 1.00 21.02 ? 314 PRO A N 1 ATOM 413 C CA . PRO A 1 56 ? 9.834 47.324 2.447 1.00 21.58 ? 314 PRO A CA 1 ATOM 414 C C . PRO A 1 56 ? 10.844 47.973 3.363 1.00 22.02 ? 314 PRO A C 1 ATOM 415 O O . PRO A 1 56 ? 11.550 47.274 4.076 1.00 21.74 ? 314 PRO A O 1 ATOM 416 C CB . PRO A 1 56 ? 8.720 46.682 3.293 1.00 21.81 ? 314 PRO A CB 1 ATOM 417 C CG . PRO A 1 56 ? 8.786 45.210 3.064 1.00 22.05 ? 314 PRO A CG 1 ATOM 418 C CD . PRO A 1 56 ? 9.780 44.909 1.985 1.00 21.58 ? 314 PRO A CD 1 ATOM 419 N N . ARG A 1 57 ? 10.927 49.291 3.319 1.00 23.41 ? 315 ARG A N 1 ATOM 420 C CA . ARG A 1 57 ? 11.781 50.048 4.213 1.00 24.75 ? 315 ARG A CA 1 ATOM 421 C C . ARG A 1 57 ? 11.475 49.691 5.659 1.00 26.86 ? 315 ARG A C 1 ATOM 422 O O . ARG A 1 57 ? 10.308 49.594 6.074 1.00 26.70 ? 315 ARG A O 1 ATOM 423 C CB . ARG A 1 57 ? 11.543 51.535 3.990 1.00 25.55 ? 315 ARG A CB 1 ATOM 424 C CG . ARG A 1 57 ? 12.563 52.469 4.603 1.00 26.51 ? 315 ARG A CG 1 ATOM 425 C CD . ARG A 1 57 ? 12.202 53.925 4.276 1.00 27.36 ? 315 ARG A CD 1 ATOM 426 N NE . ARG A 1 57 ? 10.987 54.361 4.961 1.00 26.95 ? 315 ARG A NE 1 ATOM 427 C CZ . ARG A 1 57 ? 10.430 55.564 4.847 1.00 28.47 ? 315 ARG A CZ 1 ATOM 428 N NH1 . ARG A 1 57 ? 10.949 56.499 4.045 1.00 28.28 ? 315 ARG A NH1 1 ATOM 429 N NH2 . ARG A 1 57 ? 9.336 55.838 5.547 1.00 30.29 ? 315 ARG A NH2 1 ATOM 430 N N . GLU A 1 58 ? 12.530 49.482 6.426 1.00 28.47 ? 316 GLU A N 1 ATOM 431 C CA . GLU A 1 58 ? 12.391 49.156 7.828 1.00 31.06 ? 316 GLU A CA 1 ATOM 432 C C . GLU A 1 58 ? 12.989 50.270 8.691 1.00 31.17 ? 316 GLU A C 1 ATOM 433 O O . GLU A 1 58 ? 14.207 50.525 8.678 1.00 29.83 ? 316 GLU A O 1 ATOM 434 C CB . GLU A 1 58 ? 13.045 47.809 8.103 1.00 34.61 ? 316 GLU A CB 1 ATOM 435 C CG . GLU A 1 58 ? 13.201 47.504 9.573 1.00 39.39 ? 316 GLU A CG 1 ATOM 436 C CD . GLU A 1 58 ? 12.896 46.072 9.934 1.00 44.98 ? 316 GLU A CD 1 ATOM 437 O OE1 . GLU A 1 58 ? 13.140 45.155 9.114 1.00 51.24 ? 316 GLU A OE1 1 ATOM 438 O OE2 . GLU A 1 58 ? 12.417 45.867 11.065 1.00 50.66 ? 316 GLU A OE2 1 ATOM 439 N N . GLU A 1 59 ? 12.116 50.946 9.421 1.00 31.34 ? 317 GLU A N 1 ATOM 440 C CA . GLU A 1 59 ? 12.545 51.984 10.339 1.00 33.20 ? 317 GLU A CA 1 ATOM 441 C C . GLU A 1 59 ? 12.948 51.376 11.672 1.00 32.81 ? 317 GLU A C 1 ATOM 442 O O . GLU A 1 59 ? 12.242 50.534 12.221 1.00 29.57 ? 317 GLU A O 1 ATOM 443 C CB . GLU A 1 59 ? 11.453 53.013 10.536 1.00 34.53 ? 317 GLU A CB 1 ATOM 444 C CG . GLU A 1 59 ? 11.960 54.246 11.246 1.00 36.28 ? 317 GLU A CG 1 ATOM 445 C CD . GLU A 1 59 ? 10.962 55.369 11.200 1.00 38.08 ? 317 GLU A CD 1 ATOM 446 O OE1 . GLU A 1 59 ? 11.170 56.382 11.911 1.00 37.01 ? 317 GLU A OE1 1 ATOM 447 O OE2 . GLU A 1 59 ? 9.959 55.223 10.463 1.00 39.40 ? 317 GLU A OE2 1 ATOM 448 N N . GLN A 1 60 ? 14.126 51.763 12.143 1.00 32.66 ? 318 GLN A N 1 ATOM 449 C CA . GLN A 1 60 ? 14.671 51.233 13.381 1.00 35.04 ? 318 GLN A CA 1 ATOM 450 C C . GLN A 1 60 ? 14.370 52.254 14.474 1.00 36.85 ? 318 GLN A C 1 ATOM 451 O O . GLN A 1 60 ? 13.965 53.386 14.200 1.00 37.62 ? 318 GLN A O 1 ATOM 452 C CB . GLN A 1 60 ? 16.181 50.984 13.264 1.00 35.23 ? 318 GLN A CB 1 ATOM 453 C CG . GLN A 1 60 ? 16.642 50.204 12.023 1.00 37.00 ? 318 GLN A CG 1 ATOM 454 C CD . GLN A 1 60 ? 16.123 48.778 11.983 1.00 36.78 ? 318 GLN A CD 1 ATOM 455 O OE1 . GLN A 1 60 ? 16.884 47.824 12.034 1.00 37.45 ? 318 GLN A OE1 1 ATOM 456 N NE2 . GLN A 1 60 ? 14.820 48.632 11.876 1.00 40.15 ? 318 GLN A NE2 1 ATOM 457 N N . TYR A 1 61 ? 14.555 51.856 15.718 1.00 38.84 ? 319 TYR A N 1 ATOM 458 C CA . TYR A 1 61 ? 14.224 52.753 16.826 1.00 41.80 ? 319 TYR A CA 1 ATOM 459 C C . TYR A 1 61 ? 15.465 53.481 17.375 1.00 42.27 ? 319 TYR A C 1 ATOM 460 O O . TYR A 1 61 ? 15.440 53.994 18.484 1.00 44.75 ? 319 TYR A O 1 ATOM 461 C CB . TYR A 1 61 ? 13.439 51.992 17.898 1.00 41.10 ? 319 TYR A CB 1 ATOM 462 C CG . TYR A 1 61 ? 11.993 51.761 17.495 1.00 40.60 ? 319 TYR A CG 1 ATOM 463 C CD1 . TYR A 1 61 ? 11.624 50.638 16.751 1.00 41.16 ? 319 TYR A CD1 1 ATOM 464 C CD2 . TYR A 1 61 ? 10.998 52.677 17.839 1.00 41.13 ? 319 TYR A CD2 1 ATOM 465 C CE1 . TYR A 1 61 ? 10.307 50.426 16.369 1.00 40.69 ? 319 TYR A CE1 1 ATOM 466 C CE2 . TYR A 1 61 ? 9.674 52.475 17.463 1.00 42.37 ? 319 TYR A CE2 1 ATOM 467 C CZ . TYR A 1 61 ? 9.335 51.346 16.727 1.00 42.34 ? 319 TYR A CZ 1 ATOM 468 O OH . TYR A 1 61 ? 8.028 51.127 16.350 1.00 43.52 ? 319 TYR A OH 1 ATOM 469 N N . ASN A 1 62 ? 16.537 53.522 16.576 1.00 42.38 ? 320 ASN A N 1 ATOM 470 C CA . ASN A 1 62 ? 17.681 54.412 16.823 1.00 40.34 ? 320 ASN A CA 1 ATOM 471 C C . ASN A 1 62 ? 17.727 55.527 15.791 1.00 39.80 ? 320 ASN A C 1 ATOM 472 O O . ASN A 1 62 ? 18.800 56.036 15.462 1.00 39.15 ? 320 ASN A O 1 ATOM 473 C CB . ASN A 1 62 ? 19.021 53.655 16.840 1.00 40.40 ? 320 ASN A CB 1 ATOM 474 C CG . ASN A 1 62 ? 19.293 52.874 15.562 1.00 40.63 ? 320 ASN A CG 1 ATOM 475 O OD1 . ASN A 1 62 ? 18.632 53.064 14.532 1.00 41.95 ? 320 ASN A OD1 1 ATOM 476 N ND2 . ASN A 1 62 ? 20.276 51.986 15.634 1.00 38.85 ? 320 ASN A ND2 1 ATOM 477 N N . SER A 1 63 ? 16.554 55.889 15.277 1.00 38.89 ? 321 SER A N 1 ATOM 478 C CA . SER A 1 63 ? 16.406 56.985 14.319 1.00 39.62 ? 321 SER A CA 1 ATOM 479 C C . SER A 1 63 ? 17.188 56.750 13.010 1.00 36.44 ? 321 SER A C 1 ATOM 480 O O . SER A 1 63 ? 17.768 57.680 12.436 1.00 34.99 ? 321 SER A O 1 ATOM 481 C CB . SER A 1 63 ? 16.803 58.316 14.972 1.00 43.64 ? 321 SER A CB 1 ATOM 482 O OG . SER A 1 63 ? 16.101 58.511 16.193 1.00 46.60 ? 321 SER A OG 1 ATOM 483 N N . THR A 1 64 ? 17.207 55.496 12.562 1.00 32.52 ? 322 THR A N 1 ATOM 484 C CA . THR A 1 64 ? 17.759 55.144 11.259 1.00 30.40 ? 322 THR A CA 1 ATOM 485 C C . THR A 1 64 ? 16.817 54.217 10.509 1.00 29.77 ? 322 THR A C 1 ATOM 486 O O . THR A 1 64 ? 15.951 53.542 11.120 1.00 29.05 ? 322 THR A O 1 ATOM 487 C CB . THR A 1 64 ? 19.109 54.411 11.375 1.00 30.55 ? 322 THR A CB 1 ATOM 488 O OG1 . THR A 1 64 ? 18.919 53.137 11.999 1.00 29.58 ? 322 THR A OG1 1 ATOM 489 C CG2 . THR A 1 64 ? 20.132 55.238 12.148 1.00 30.70 ? 322 THR A CG2 1 ATOM 490 N N . TYR A 1 65 ? 16.987 54.179 9.189 1.00 26.65 ? 323 TYR A N 1 ATOM 491 C CA . TYR A 1 65 ? 16.323 53.169 8.371 1.00 25.90 ? 323 TYR A CA 1 ATOM 492 C C . TYR A 1 65 ? 17.293 52.066 7.955 1.00 24.10 ? 323 TYR A C 1 ATOM 493 O O . TYR A 1 65 ? 18.497 52.256 7.859 1.00 22.25 ? 323 TYR A O 1 ATOM 494 C CB . TYR A 1 65 ? 15.739 53.770 7.092 1.00 26.41 ? 323 TYR A CB 1 ATOM 495 C CG . TYR A 1 65 ? 14.667 54.814 7.275 1.00 27.13 ? 323 TYR A CG 1 ATOM 496 C CD1 . TYR A 1 65 ? 13.401 54.472 7.721 1.00 28.54 ? 323 TYR A CD1 1 ATOM 497 C CD2 . TYR A 1 65 ? 14.906 56.144 6.945 1.00 28.75 ? 323 TYR A CD2 1 ATOM 498 C CE1 . TYR A 1 65 ? 12.413 55.432 7.864 1.00 29.52 ? 323 TYR A CE1 1 ATOM 499 C CE2 . TYR A 1 65 ? 13.927 57.106 7.092 1.00 29.78 ? 323 TYR A CE2 1 ATOM 500 C CZ . TYR A 1 65 ? 12.688 56.744 7.550 1.00 29.66 ? 323 TYR A CZ 1 ATOM 501 O OH . TYR A 1 65 ? 11.715 57.700 7.675 1.00 35.70 ? 323 TYR A OH 1 ATOM 502 N N . ARG A 1 66 ? 16.716 50.913 7.670 1.00 23.38 ? 324 ARG A N 1 ATOM 503 C CA . ARG A 1 66 ? 17.407 49.806 7.095 1.00 22.64 ? 324 ARG A CA 1 ATOM 504 C C . ARG A 1 66 ? 16.757 49.623 5.738 1.00 21.82 ? 324 ARG A C 1 ATOM 505 O O . ARG A 1 66 ? 15.540 49.389 5.663 1.00 22.08 ? 324 ARG A O 1 ATOM 506 C CB . ARG A 1 66 ? 17.212 48.579 7.964 1.00 24.01 ? 324 ARG A CB 1 ATOM 507 C CG . ARG A 1 66 ? 17.922 47.326 7.477 1.00 26.30 ? 324 ARG A CG 1 ATOM 508 C CD . ARG A 1 66 ? 17.605 46.174 8.410 1.00 27.16 ? 324 ARG A CD 1 ATOM 509 N NE . ARG A 1 66 ? 18.494 45.021 8.275 1.00 28.23 ? 324 ARG A NE 1 ATOM 510 C CZ . ARG A 1 66 ? 18.170 43.866 7.706 1.00 29.42 ? 324 ARG A CZ 1 ATOM 511 N NH1 . ARG A 1 66 ? 16.977 43.687 7.163 1.00 31.33 ? 324 ARG A NH1 1 ATOM 512 N NH2 . ARG A 1 66 ? 19.053 42.881 7.663 1.00 31.36 ? 324 ARG A NH2 1 ATOM 513 N N . VAL A 1 67 ? 17.546 49.764 4.677 1.00 20.67 ? 325 VAL A N 1 ATOM 514 C CA . VAL A 1 67 ? 17.041 49.564 3.323 1.00 21.05 ? 325 VAL A CA 1 ATOM 515 C C . VAL A 1 67 ? 17.818 48.432 2.636 1.00 20.12 ? 325 VAL A C 1 ATOM 516 O O . VAL A 1 67 ? 19.042 48.335 2.745 1.00 19.11 ? 325 VAL A O 1 ATOM 517 C CB . VAL A 1 67 ? 16.841 50.902 2.513 1.00 23.27 ? 325 VAL A CB 1 ATOM 518 C CG1 . VAL A 1 67 ? 17.359 52.128 3.242 1.00 24.59 ? 325 VAL A CG1 1 ATOM 519 C CG2 . VAL A 1 67 ? 17.294 50.829 1.069 1.00 22.77 ? 325 VAL A CG2 1 ATOM 520 N N . VAL A 1 68 ? 17.055 47.550 1.992 1.00 18.73 ? 326 VAL A N 1 ATOM 521 C CA . VAL A 1 68 ? 17.547 46.296 1.503 1.00 18.07 ? 326 VAL A CA 1 ATOM 522 C C . VAL A 1 68 ? 17.065 46.077 0.071 1.00 18.55 ? 326 VAL A C 1 ATOM 523 O O . VAL A 1 68 ? 15.862 46.228 -0.222 1.00 18.43 ? 326 VAL A O 1 ATOM 524 C CB . VAL A 1 68 ? 17.053 45.145 2.397 1.00 18.49 ? 326 VAL A CB 1 ATOM 525 C CG1 . VAL A 1 68 ? 17.613 43.812 1.931 1.00 18.30 ? 326 VAL A CG1 1 ATOM 526 C CG2 . VAL A 1 68 ? 17.446 45.383 3.852 1.00 19.19 ? 326 VAL A CG2 1 ATOM 527 N N . SER A 1 69 ? 18.013 45.725 -0.798 1.00 16.84 ? 327 SER A N 1 ATOM 528 C CA . SER A 1 69 ? 17.744 45.307 -2.161 1.00 16.44 ? 327 SER A CA 1 ATOM 529 C C . SER A 1 69 ? 18.101 43.820 -2.285 1.00 16.51 ? 327 SER A C 1 ATOM 530 O O . SER A 1 69 ? 19.152 43.364 -1.791 1.00 15.44 ? 327 SER A O 1 ATOM 531 C CB . SER A 1 69 ? 18.525 46.180 -3.168 1.00 16.35 ? 327 SER A CB 1 ATOM 532 O OG . SER A 1 69 ? 18.388 45.729 -4.513 1.00 16.07 ? 327 SER A OG 1 ATOM 533 N N . VAL A 1 70 ? 17.215 43.076 -2.945 1.00 16.02 ? 328 VAL A N 1 ATOM 534 C CA . VAL A 1 70 ? 17.396 41.640 -3.177 1.00 17.44 ? 328 VAL A CA 1 ATOM 535 C C . VAL A 1 70 ? 17.470 41.334 -4.671 1.00 17.48 ? 328 VAL A C 1 ATOM 536 O O . VAL A 1 70 ? 16.624 41.795 -5.465 1.00 16.89 ? 328 VAL A O 1 ATOM 537 C CB . VAL A 1 70 ? 16.255 40.826 -2.546 1.00 18.85 ? 328 VAL A CB 1 ATOM 538 C CG1 . VAL A 1 70 ? 16.403 39.348 -2.873 1.00 21.03 ? 328 VAL A CG1 1 ATOM 539 C CG2 . VAL A 1 70 ? 16.290 40.997 -1.047 1.00 19.05 ? 328 VAL A CG2 1 ATOM 540 N N . LEU A 1 71 ? 18.500 40.582 -5.058 1.00 17.09 ? 329 LEU A N 1 ATOM 541 C CA . LEU A 1 71 ? 18.652 40.165 -6.441 1.00 18.28 ? 329 LEU A CA 1 ATOM 542 C C . LEU A 1 71 ? 18.523 38.663 -6.489 1.00 18.98 ? 329 LEU A C 1 ATOM 543 O O . LEU A 1 71 ? 19.305 37.954 -5.845 1.00 17.79 ? 329 LEU A O 1 ATOM 544 C CB . LEU A 1 71 ? 20.011 40.600 -7.000 1.00 18.53 ? 329 LEU A CB 1 ATOM 545 C CG . LEU A 1 71 ? 20.243 40.298 -8.478 1.00 18.53 ? 329 LEU A CG 1 ATOM 546 C CD1 . LEU A 1 71 ? 19.327 41.097 -9.397 1.00 18.80 ? 329 LEU A CD1 1 ATOM 547 C CD2 . LEU A 1 71 ? 21.674 40.595 -8.853 1.00 19.00 ? 329 LEU A CD2 1 ATOM 548 N N . THR A 1 72 ? 17.526 38.174 -7.223 1.00 18.88 ? 330 THR A N 1 ATOM 549 C CA . THR A 1 72 ? 17.382 36.751 -7.410 1.00 20.35 ? 330 THR A CA 1 ATOM 550 C C . THR A 1 72 ? 18.486 36.313 -8.355 1.00 20.33 ? 330 THR A C 1 ATOM 551 O O . THR A 1 72 ? 18.801 37.008 -9.318 1.00 21.30 ? 330 THR A O 1 ATOM 552 C CB . THR A 1 72 ? 15.998 36.382 -7.977 1.00 22.40 ? 330 THR A CB 1 ATOM 553 O OG1 . THR A 1 72 ? 14.999 36.726 -7.017 1.00 24.49 ? 330 THR A OG1 1 ATOM 554 C CG2 . THR A 1 72 ? 15.907 34.886 -8.252 1.00 23.96 ? 330 THR A CG2 1 ATOM 555 N N . VAL A 1 73 ? 19.100 35.178 -8.065 1.00 20.32 ? 331 VAL A N 1 ATOM 556 C CA . VAL A 1 73 ? 20.143 34.661 -8.933 1.00 22.11 ? 331 VAL A CA 1 ATOM 557 C C . VAL A 1 73 ? 19.699 33.337 -9.539 1.00 24.35 ? 331 VAL A C 1 ATOM 558 O O . VAL A 1 73 ? 18.970 32.579 -8.919 1.00 26.05 ? 331 VAL A O 1 ATOM 559 C CB . VAL A 1 73 ? 21.493 34.534 -8.202 1.00 22.26 ? 331 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 73 ? 21.866 35.873 -7.579 1.00 22.73 ? 331 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 73 ? 21.463 33.446 -7.131 1.00 21.92 ? 331 VAL A CG2 1 ATOM 562 N N . LEU A 1 74 ? 20.129 33.063 -10.754 1.00 27.76 ? 332 LEU A N 1 ATOM 563 C CA . LEU A 1 74 ? 19.958 31.706 -11.316 1.00 32.64 ? 332 LEU A CA 1 ATOM 564 C C . LEU A 1 74 ? 20.852 30.726 -10.537 1.00 33.46 ? 332 LEU A C 1 ATOM 565 O O . LEU A 1 74 ? 22.004 31.057 -10.225 1.00 33.42 ? 332 LEU A O 1 ATOM 566 C CB . LEU A 1 74 ? 20.332 31.692 -12.796 1.00 32.49 ? 332 LEU A CB 1 ATOM 567 C CG . LEU A 1 74 ? 19.639 32.763 -13.641 1.00 34.89 ? 332 LEU A CG 1 ATOM 568 C CD1 . LEU A 1 74 ? 19.852 32.453 -15.120 1.00 36.30 ? 332 LEU A CD1 1 ATOM 569 C CD2 . LEU A 1 74 ? 18.155 32.848 -13.315 1.00 36.20 ? 332 LEU A CD2 1 ATOM 570 N N . HIS A 1 75 ? 20.324 29.549 -10.204 1.00 34.77 ? 333 HIS A N 1 ATOM 571 C CA . HIS A 1 75 ? 21.106 28.527 -9.488 1.00 36.09 ? 333 HIS A CA 1 ATOM 572 C C . HIS A 1 75 ? 22.466 28.326 -10.155 1.00 34.56 ? 333 HIS A C 1 ATOM 573 O O . HIS A 1 75 ? 23.516 28.388 -9.498 1.00 31.27 ? 333 HIS A O 1 ATOM 574 C CB . HIS A 1 75 ? 20.378 27.182 -9.470 1.00 38.27 ? 333 HIS A CB 1 ATOM 575 C CG . HIS A 1 75 ? 19.159 27.156 -8.602 1.00 40.90 ? 333 HIS A CG 1 ATOM 576 N ND1 . HIS A 1 75 ? 17.922 27.588 -9.035 1.00 42.49 ? 333 HIS A ND1 1 ATOM 577 C CD2 . HIS A 1 75 ? 18.984 26.731 -7.330 1.00 40.05 ? 333 HIS A CD2 1 ATOM 578 C CE1 . HIS A 1 75 ? 17.040 27.427 -8.066 1.00 41.97 ? 333 HIS A CE1 1 ATOM 579 N NE2 . HIS A 1 75 ? 17.658 26.899 -7.024 1.00 41.92 ? 333 HIS A NE2 1 ATOM 580 N N . GLN A 1 76 ? 22.421 28.112 -11.472 1.00 31.94 ? 334 GLN A N 1 ATOM 581 C CA . GLN A 1 76 ? 23.609 27.857 -12.270 1.00 30.31 ? 334 GLN A CA 1 ATOM 582 C C . GLN A 1 76 ? 24.591 29.038 -12.236 1.00 29.42 ? 334 GLN A C 1 ATOM 583 O O . GLN A 1 76 ? 25.805 28.820 -12.238 1.00 28.96 ? 334 GLN A O 1 ATOM 584 C CB . GLN A 1 76 ? 23.222 27.536 -13.721 1.00 31.29 ? 334 GLN A CB 1 ATOM 585 N N . ASP A 1 77 ? 24.079 30.272 -12.220 1.00 25.97 ? 335 ASP A N 1 ATOM 586 C CA . ASP A 1 77 ? 24.951 31.462 -12.189 1.00 25.90 ? 335 ASP A CA 1 ATOM 587 C C . ASP A 1 77 ? 25.799 31.500 -10.910 1.00 22.94 ? 335 ASP A C 1 ATOM 588 O O . ASP A 1 77 ? 26.988 31.740 -10.966 1.00 21.78 ? 335 ASP A O 1 ATOM 589 C CB . ASP A 1 77 ? 24.151 32.766 -12.301 1.00 27.78 ? 335 ASP A CB 1 ATOM 590 C CG . ASP A 1 77 ? 23.823 33.153 -13.746 1.00 29.93 ? 335 ASP A CG 1 ATOM 591 O OD1 . ASP A 1 77 ? 24.164 32.403 -14.686 1.00 30.21 ? 335 ASP A OD1 1 ATOM 592 O OD2 . ASP A 1 77 ? 23.219 34.229 -13.935 1.00 29.38 ? 335 ASP A OD2 1 ATOM 593 N N . TRP A 1 78 ? 25.178 31.257 -9.764 1.00 21.47 ? 336 TRP A N 1 ATOM 594 C CA . TRP A 1 78 ? 25.902 31.238 -8.515 1.00 21.92 ? 336 TRP A CA 1 ATOM 595 C C . TRP A 1 78 ? 26.956 30.134 -8.488 1.00 22.55 ? 336 TRP A C 1 ATOM 596 O O . TRP A 1 78 ? 28.134 30.390 -8.182 1.00 22.28 ? 336 TRP A O 1 ATOM 597 C CB . TRP A 1 78 ? 24.960 31.089 -7.332 1.00 21.67 ? 336 TRP A CB 1 ATOM 598 C CG . TRP A 1 78 ? 25.706 31.124 -6.031 1.00 21.76 ? 336 TRP A CG 1 ATOM 599 C CD1 . TRP A 1 78 ? 26.081 30.056 -5.270 1.00 21.49 ? 336 TRP A CD1 1 ATOM 600 C CD2 . TRP A 1 78 ? 26.204 32.285 -5.363 1.00 21.55 ? 336 TRP A CD2 1 ATOM 601 N NE1 . TRP A 1 78 ? 26.766 30.480 -4.164 1.00 21.33 ? 336 TRP A NE1 1 ATOM 602 C CE2 . TRP A 1 78 ? 26.863 31.844 -4.198 1.00 21.16 ? 336 TRP A CE2 1 ATOM 603 C CE3 . TRP A 1 78 ? 26.165 33.655 -5.641 1.00 22.64 ? 336 TRP A CE3 1 ATOM 604 C CZ2 . TRP A 1 78 ? 27.473 32.717 -3.311 1.00 21.46 ? 336 TRP A CZ2 1 ATOM 605 C CZ3 . TRP A 1 78 ? 26.757 34.529 -4.748 1.00 23.18 ? 336 TRP A CZ3 1 ATOM 606 C CH2 . TRP A 1 78 ? 27.410 34.054 -3.594 1.00 22.65 ? 336 TRP A CH2 1 ATOM 607 N N . LEU A 1 79 ? 26.533 28.911 -8.791 1.00 22.74 ? 337 LEU A N 1 ATOM 608 C CA . LEU A 1 79 ? 27.426 27.754 -8.773 1.00 23.68 ? 337 LEU A CA 1 ATOM 609 C C . LEU A 1 79 ? 28.524 27.818 -9.840 1.00 23.50 ? 337 LEU A C 1 ATOM 610 O O . LEU A 1 79 ? 29.586 27.239 -9.657 1.00 22.66 ? 337 LEU A O 1 ATOM 611 C CB . LEU A 1 79 ? 26.652 26.446 -8.914 1.00 25.05 ? 337 LEU A CB 1 ATOM 612 C CG . LEU A 1 79 ? 25.579 26.178 -7.861 1.00 26.64 ? 337 LEU A CG 1 ATOM 613 C CD1 . LEU A 1 79 ? 24.908 24.852 -8.192 1.00 28.43 ? 337 LEU A CD1 1 ATOM 614 C CD2 . LEU A 1 79 ? 26.131 26.172 -6.443 1.00 27.28 ? 337 LEU A CD2 1 ATOM 615 N N . ASN A 1 80 ? 28.284 28.534 -10.933 1.00 23.93 ? 338 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? 29.330 28.763 -11.929 1.00 25.57 ? 338 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? 30.342 29.847 -11.555 1.00 24.61 ? 338 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? 31.290 30.074 -12.297 1.00 25.24 ? 338 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? 28.724 29.092 -13.292 1.00 28.53 ? 338 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? 28.140 27.870 -13.978 1.00 30.54 ? 338 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? 28.621 26.752 -13.803 1.00 34.04 ? 338 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? 27.116 28.081 -14.775 1.00 31.18 ? 338 ASN A ND2 1 ATOM 623 N N . GLY A 1 81 ? 30.128 30.532 -10.439 1.00 22.66 ? 339 GLY A N 1 ATOM 624 C CA . GLY A 1 81 ? 31.116 31.472 -9.918 1.00 23.04 ? 339 GLY A CA 1 ATOM 625 C C . GLY A 1 81 ? 30.941 32.909 -10.366 1.00 21.85 ? 339 GLY A C 1 ATOM 626 O O . GLY A 1 81 ? 31.859 33.706 -10.259 1.00 23.05 ? 339 GLY A O 1 ATOM 627 N N . LYS A 1 82 ? 29.764 33.270 -10.848 1.00 21.89 ? 340 LYS A N 1 ATOM 628 C CA . LYS A 1 82 ? 29.531 34.653 -11.249 1.00 22.26 ? 340 LYS A CA 1 ATOM 629 C C . LYS A 1 82 ? 29.731 35.609 -10.066 1.00 21.69 ? 340 LYS A C 1 ATOM 630 O O . LYS A 1 82 ? 29.501 35.229 -8.917 1.00 19.36 ? 340 LYS A O 1 ATOM 631 C CB . LYS A 1 82 ? 28.146 34.825 -11.852 1.00 23.34 ? 340 LYS A CB 1 ATOM 632 C CG . LYS A 1 82 ? 28.013 34.239 -13.251 1.00 27.11 ? 340 LYS A CG 1 ATOM 633 C CD . LYS A 1 82 ? 26.843 34.881 -13.978 1.00 29.55 ? 340 LYS A CD 1 ATOM 634 C CE . LYS A 1 82 ? 26.508 34.176 -15.285 1.00 32.97 ? 340 LYS A CE 1 ATOM 635 N NZ . LYS A 1 82 ? 27.394 34.594 -16.398 1.00 34.94 ? 340 LYS A NZ 1 ATOM 636 N N . GLU A 1 83 ? 30.185 36.827 -10.381 1.00 22.08 ? 341 GLU A N 1 ATOM 637 C CA . GLU A 1 83 ? 30.504 37.856 -9.398 1.00 24.09 ? 341 GLU A CA 1 ATOM 638 C C . GLU A 1 83 ? 29.321 38.813 -9.293 1.00 21.42 ? 341 GLU A C 1 ATOM 639 O O . GLU A 1 83 ? 28.887 39.358 -10.311 1.00 20.43 ? 341 GLU A O 1 ATOM 640 C CB . GLU A 1 83 ? 31.707 38.675 -9.863 1.00 27.44 ? 341 GLU A CB 1 ATOM 641 C CG . GLU A 1 83 ? 33.009 37.901 -9.986 1.00 31.41 ? 341 GLU A CG 1 ATOM 642 C CD . GLU A 1 83 ? 33.742 37.797 -8.674 1.00 34.81 ? 341 GLU A CD 1 ATOM 643 O OE1 . GLU A 1 83 ? 34.818 37.158 -8.657 1.00 38.63 ? 341 GLU A OE1 1 ATOM 644 O OE2 . GLU A 1 83 ? 33.246 38.363 -7.667 1.00 38.08 ? 341 GLU A OE2 1 ATOM 645 N N . TYR A 1 84 ? 28.822 39.020 -8.081 1.00 18.57 ? 342 TYR A N 1 ATOM 646 C CA . TYR A 1 84 ? 27.678 39.908 -7.862 1.00 18.62 ? 342 TYR A CA 1 ATOM 647 C C . TYR A 1 84 ? 28.138 41.154 -7.146 1.00 19.14 ? 342 TYR A C 1 ATOM 648 O O . TYR A 1 84 ? 28.656 41.072 -6.026 1.00 18.70 ? 342 TYR A O 1 ATOM 649 C CB . TYR A 1 84 ? 26.592 39.202 -7.053 1.00 18.70 ? 342 TYR A CB 1 ATOM 650 C CG . TYR A 1 84 ? 26.008 38.077 -7.830 1.00 18.99 ? 342 TYR A CG 1 ATOM 651 C CD1 . TYR A 1 84 ? 26.612 36.836 -7.818 1.00 19.38 ? 342 TYR A CD1 1 ATOM 652 C CD2 . TYR A 1 84 ? 24.883 38.263 -8.640 1.00 19.64 ? 342 TYR A CD2 1 ATOM 653 C CE1 . TYR A 1 84 ? 26.118 35.793 -8.578 1.00 20.34 ? 342 TYR A CE1 1 ATOM 654 C CE2 . TYR A 1 84 ? 24.366 37.215 -9.391 1.00 19.89 ? 342 TYR A CE2 1 ATOM 655 C CZ . TYR A 1 84 ? 24.990 35.984 -9.345 1.00 20.36 ? 342 TYR A CZ 1 ATOM 656 O OH . TYR A 1 84 ? 24.530 34.924 -10.071 1.00 21.91 ? 342 TYR A OH 1 ATOM 657 N N . LYS A 1 85 ? 27.957 42.300 -7.790 1.00 19.21 ? 343 LYS A N 1 ATOM 658 C CA . LYS A 1 85 ? 28.342 43.571 -7.190 1.00 21.11 ? 343 LYS A CA 1 ATOM 659 C C . LYS A 1 85 ? 27.113 44.416 -6.874 1.00 19.73 ? 343 LYS A C 1 ATOM 660 O O . LYS A 1 85 ? 26.244 44.603 -7.739 1.00 18.38 ? 343 LYS A O 1 ATOM 661 C CB . LYS A 1 85 ? 29.273 44.360 -8.127 1.00 23.03 ? 343 LYS A CB 1 ATOM 662 C CG . LYS A 1 85 ? 29.767 45.660 -7.510 1.00 25.82 ? 343 LYS A CG 1 ATOM 663 C CD . LYS A 1 85 ? 30.361 46.616 -8.538 1.00 28.37 ? 343 LYS A CD 1 ATOM 664 C CE . LYS A 1 85 ? 31.868 46.617 -8.487 1.00 31.60 ? 343 LYS A CE 1 ATOM 665 N NZ . LYS A 1 85 ? 32.456 47.583 -9.464 1.00 33.63 ? 343 LYS A NZ 1 ATOM 666 N N . CYS A 1 86 ? 27.081 44.950 -5.653 1.00 19.39 ? 344 CYS A N 1 ATOM 667 C CA . CYS A 1 86 ? 26.063 45.911 -5.208 1.00 20.57 ? 344 CYS A CA 1 ATOM 668 C C . CYS A 1 86 ? 26.722 47.265 -4.986 1.00 20.00 ? 344 CYS A C 1 ATOM 669 O O . CYS A 1 86 ? 27.681 47.361 -4.213 1.00 19.19 ? 344 CYS A O 1 ATOM 670 C CB . CYS A 1 86 ? 25.433 45.465 -3.871 1.00 22.19 ? 344 CYS A CB 1 ATOM 671 S SG . CYS A 1 86 ? 24.190 46.642 -3.272 1.00 27.12 ? 344 CYS A SG 1 ATOM 672 N N . LYS A 1 87 ? 26.212 48.298 -5.645 1.00 20.45 ? 345 LYS A N 1 ATOM 673 C CA . LYS A 1 87 ? 26.694 49.661 -5.448 1.00 22.22 ? 345 LYS A CA 1 ATOM 674 C C . LYS A 1 87 ? 25.609 50.524 -4.806 1.00 20.53 ? 345 LYS A C 1 ATOM 675 O O . LYS A 1 87 ? 24.499 50.623 -5.317 1.00 20.15 ? 345 LYS A O 1 ATOM 676 C CB . LYS A 1 87 ? 27.150 50.305 -6.762 1.00 24.73 ? 345 LYS A CB 1 ATOM 677 C CG . LYS A 1 87 ? 27.592 51.751 -6.577 1.00 27.72 ? 345 LYS A CG 1 ATOM 678 C CD . LYS A 1 87 ? 28.400 52.277 -7.749 1.00 32.84 ? 345 LYS A CD 1 ATOM 679 C CE . LYS A 1 87 ? 27.526 52.907 -8.813 1.00 36.38 ? 345 LYS A CE 1 ATOM 680 N NZ . LYS A 1 87 ? 28.304 53.210 -10.054 1.00 39.42 ? 345 LYS A NZ 1 ATOM 681 N N . VAL A 1 88 ? 25.958 51.166 -3.696 1.00 19.98 ? 346 VAL A N 1 ATOM 682 C CA . VAL A 1 88 ? 25.018 51.948 -2.909 1.00 19.97 ? 346 VAL A CA 1 ATOM 683 C C . VAL A 1 88 ? 25.390 53.433 -2.956 1.00 20.92 ? 346 VAL A C 1 ATOM 684 O O . VAL A 1 88 ? 26.516 53.822 -2.604 1.00 20.64 ? 346 VAL A O 1 ATOM 685 C CB . VAL A 1 88 ? 24.966 51.422 -1.454 1.00 20.12 ? 346 VAL A CB 1 ATOM 686 C CG1 . VAL A 1 88 ? 24.096 52.300 -0.568 1.00 19.85 ? 346 VAL A CG1 1 ATOM 687 C CG2 . VAL A 1 88 ? 24.450 49.986 -1.439 1.00 19.84 ? 346 VAL A CG2 1 ATOM 688 N N . SER A 1 89 ? 24.456 54.252 -3.428 1.00 21.20 ? 347 SER A N 1 ATOM 689 C CA . SER A 1 89 ? 24.601 55.707 -3.373 1.00 22.30 ? 347 SER A CA 1 ATOM 690 C C . SER A 1 89 ? 23.582 56.312 -2.420 1.00 23.78 ? 347 SER A C 1 ATOM 691 O O . SER A 1 89 ? 22.444 55.826 -2.288 1.00 22.25 ? 347 SER A O 1 ATOM 692 C CB . SER A 1 89 ? 24.463 56.340 -4.754 1.00 22.32 ? 347 SER A CB 1 ATOM 693 O OG . SER A 1 89 ? 25.355 55.726 -5.669 1.00 22.22 ? 347 SER A OG 1 ATOM 694 N N . ASN A 1 90 ? 24.013 57.378 -1.748 1.00 24.83 ? 348 ASN A N 1 ATOM 695 C CA . ASN A 1 90 ? 23.172 58.079 -0.795 1.00 27.31 ? 348 ASN A CA 1 ATOM 696 C C . ASN A 1 90 ? 23.826 59.435 -0.513 1.00 29.33 ? 348 ASN A C 1 ATOM 697 O O . ASN A 1 90 ? 25.053 59.538 -0.535 1.00 29.72 ? 348 ASN A O 1 ATOM 698 C CB . ASN A 1 90 ? 23.018 57.227 0.476 1.00 26.40 ? 348 ASN A CB 1 ATOM 699 C CG . ASN A 1 90 ? 22.303 57.954 1.600 1.00 27.88 ? 348 ASN A CG 1 ATOM 700 O OD1 . ASN A 1 90 ? 22.942 58.609 2.426 1.00 29.41 ? 348 ASN A OD1 1 ATOM 701 N ND2 . ASN A 1 90 ? 20.983 57.798 1.675 1.00 27.39 ? 348 ASN A ND2 1 ATOM 702 N N . LYS A 1 91 ? 23.012 60.453 -0.241 1.00 32.12 ? 349 LYS A N 1 ATOM 703 C CA . LYS A 1 91 ? 23.511 61.830 -0.091 1.00 34.53 ? 349 LYS A CA 1 ATOM 704 C C . LYS A 1 91 ? 24.508 61.976 1.059 1.00 35.74 ? 349 LYS A C 1 ATOM 705 O O . LYS A 1 91 ? 25.438 62.766 0.962 1.00 37.71 ? 349 LYS A O 1 ATOM 706 C CB . LYS A 1 91 ? 22.352 62.824 0.068 1.00 34.26 ? 349 LYS A CB 1 ATOM 707 N N . ALA A 1 92 ? 24.345 61.194 2.124 1.00 36.97 ? 350 ALA A N 1 ATOM 708 C CA . ALA A 1 92 ? 25.301 61.208 3.241 1.00 37.23 ? 350 ALA A CA 1 ATOM 709 C C . ALA A 1 92 ? 26.637 60.512 2.955 1.00 39.40 ? 350 ALA A C 1 ATOM 710 O O . ALA A 1 92 ? 27.535 60.540 3.800 1.00 41.53 ? 350 ALA A O 1 ATOM 711 C CB . ALA A 1 92 ? 24.669 60.606 4.487 1.00 38.52 ? 350 ALA A CB 1 ATOM 712 N N . LEU A 1 93 ? 26.771 59.875 1.794 1.00 39.61 ? 351 LEU A N 1 ATOM 713 C CA . LEU A 1 93 ? 28.046 59.258 1.390 1.00 40.78 ? 351 LEU A CA 1 ATOM 714 C C . LEU A 1 93 ? 28.900 60.253 0.589 1.00 42.07 ? 351 LEU A C 1 ATOM 715 O O . LEU A 1 93 ? 28.388 60.943 -0.284 1.00 44.24 ? 351 LEU A O 1 ATOM 716 C CB . LEU A 1 93 ? 27.794 57.997 0.542 1.00 39.04 ? 351 LEU A CB 1 ATOM 717 C CG . LEU A 1 93 ? 27.806 56.578 1.140 1.00 38.17 ? 351 LEU A CG 1 ATOM 718 C CD1 . LEU A 1 93 ? 28.003 56.511 2.643 1.00 36.71 ? 351 LEU A CD1 1 ATOM 719 C CD2 . LEU A 1 93 ? 26.554 55.807 0.734 1.00 36.24 ? 351 LEU A CD2 1 ATOM 720 N N . PRO A 1 94 ? 30.205 60.328 0.879 1.00 42.67 ? 352 PRO A N 1 ATOM 721 C CA . PRO A 1 94 ? 31.074 61.138 0.029 1.00 43.33 ? 352 PRO A CA 1 ATOM 722 C C . PRO A 1 94 ? 31.349 60.453 -1.309 1.00 40.75 ? 352 PRO A C 1 ATOM 723 O O . PRO A 1 94 ? 31.668 61.113 -2.286 1.00 42.49 ? 352 PRO A O 1 ATOM 724 C CB . PRO A 1 94 ? 32.359 61.241 0.857 1.00 44.68 ? 352 PRO A CB 1 ATOM 725 C CG . PRO A 1 94 ? 32.397 59.962 1.622 1.00 44.48 ? 352 PRO A CG 1 ATOM 726 C CD . PRO A 1 94 ? 30.962 59.646 1.947 1.00 44.01 ? 352 PRO A CD 1 ATOM 727 N N . ALA A 1 95 ? 31.239 59.129 -1.333 1.00 38.33 ? 353 ALA A N 1 ATOM 728 C CA . ALA A 1 95 ? 31.316 58.360 -2.571 1.00 35.25 ? 353 ALA A CA 1 ATOM 729 C C . ALA A 1 95 ? 30.477 57.089 -2.417 1.00 31.41 ? 353 ALA A C 1 ATOM 730 O O . ALA A 1 95 ? 30.320 56.593 -1.315 1.00 31.45 ? 353 ALA A O 1 ATOM 731 C CB . ALA A 1 95 ? 32.760 57.996 -2.870 1.00 35.42 ? 353 ALA A CB 1 ATOM 732 N N . PRO A 1 96 ? 29.945 56.553 -3.523 1.00 30.78 ? 354 PRO A N 1 ATOM 733 C CA . PRO A 1 96 ? 29.230 55.268 -3.418 1.00 29.24 ? 354 PRO A CA 1 ATOM 734 C C . PRO A 1 96 ? 30.044 54.146 -2.757 1.00 27.40 ? 354 PRO A C 1 ATOM 735 O O . PRO A 1 96 ? 31.269 54.123 -2.852 1.00 28.02 ? 354 PRO A O 1 ATOM 736 C CB . PRO A 1 96 ? 28.917 54.919 -4.871 1.00 30.24 ? 354 PRO A CB 1 ATOM 737 C CG . PRO A 1 96 ? 28.862 56.240 -5.578 1.00 32.11 ? 354 PRO A CG 1 ATOM 738 C CD . PRO A 1 96 ? 29.860 57.132 -4.878 1.00 30.69 ? 354 PRO A CD 1 ATOM 739 N N . ILE A 1 97 ? 29.359 53.263 -2.041 1.00 25.75 ? 355 ILE A N 1 ATOM 740 C CA . ILE A 1 97 ? 29.976 52.073 -1.499 1.00 25.87 ? 355 ILE A CA 1 ATOM 741 C C . ILE A 1 97 ? 29.675 50.902 -2.435 1.00 26.28 ? 355 ILE A C 1 ATOM 742 O O . ILE A 1 97 ? 28.554 50.730 -2.902 1.00 25.23 ? 355 ILE A O 1 ATOM 743 C CB . ILE A 1 97 ? 29.466 51.778 -0.077 1.00 26.40 ? 355 ILE A CB 1 ATOM 744 C CG1 . ILE A 1 97 ? 30.000 52.840 0.901 1.00 26.84 ? 355 ILE A CG1 1 ATOM 745 C CG2 . ILE A 1 97 ? 29.880 50.378 0.375 1.00 26.06 ? 355 ILE A CG2 1 ATOM 746 C CD1 . ILE A 1 97 ? 29.328 52.820 2.253 1.00 26.74 ? 355 ILE A CD1 1 ATOM 747 N N . GLU A 1 98 ? 30.692 50.100 -2.691 1.00 27.10 ? 356 GLU A N 1 ATOM 748 C CA . GLU A 1 98 ? 30.560 48.917 -3.516 1.00 28.57 ? 356 GLU A CA 1 ATOM 749 C C . GLU A 1 98 ? 31.035 47.697 -2.758 1.00 27.41 ? 356 GLU A C 1 ATOM 750 O O . GLU A 1 98 ? 32.089 47.744 -2.098 1.00 27.67 ? 356 GLU A O 1 ATOM 751 C CB . GLU A 1 98 ? 31.396 49.087 -4.770 1.00 31.42 ? 356 GLU A CB 1 ATOM 752 C CG . GLU A 1 98 ? 31.010 50.325 -5.543 1.00 33.55 ? 356 GLU A CG 1 ATOM 753 C CD . GLU A 1 98 ? 31.716 50.426 -6.869 1.00 37.49 ? 356 GLU A CD 1 ATOM 754 O OE1 . GLU A 1 98 ? 31.517 51.446 -7.552 1.00 44.66 ? 356 GLU A OE1 1 ATOM 755 O OE2 . GLU A 1 98 ? 32.453 49.496 -7.230 1.00 38.90 ? 356 GLU A OE2 1 ATOM 756 N N . LYS A 1 99 ? 30.253 46.620 -2.854 1.00 23.86 ? 357 LYS A N 1 ATOM 757 C CA . LYS A 1 99 ? 30.594 45.313 -2.302 1.00 22.36 ? 357 LYS A CA 1 ATOM 758 C C . LYS A 1 99 ? 30.358 44.278 -3.400 1.00 21.73 ? 357 LYS A C 1 ATOM 759 O O . LYS A 1 99 ? 29.415 44.402 -4.192 1.00 19.03 ? 357 LYS A O 1 ATOM 760 C CB . LYS A 1 99 ? 29.709 44.957 -1.108 1.00 23.53 ? 357 LYS A CB 1 ATOM 761 C CG . LYS A 1 99 ? 29.744 45.944 0.048 1.00 25.46 ? 357 LYS A CG 1 ATOM 762 C CD . LYS A 1 99 ? 30.976 45.751 0.896 1.00 26.14 ? 357 LYS A CD 1 ATOM 763 C CE . LYS A 1 99 ? 31.306 46.990 1.704 1.00 28.39 ? 357 LYS A CE 1 ATOM 764 N NZ . LYS A 1 99 ? 32.221 46.624 2.823 1.00 29.63 ? 357 LYS A NZ 1 ATOM 765 N N . THR A 1 100 ? 31.192 43.247 -3.410 1.00 20.81 ? 358 THR A N 1 ATOM 766 C CA . THR A 1 100 ? 31.150 42.209 -4.418 1.00 22.18 ? 358 THR A CA 1 ATOM 767 C C . THR A 1 100 ? 31.187 40.892 -3.693 1.00 21.84 ? 358 THR A C 1 ATOM 768 O O . THR A 1 100 ? 31.936 40.751 -2.735 1.00 23.71 ? 358 THR A O 1 ATOM 769 C CB . THR A 1 100 ? 32.358 42.308 -5.366 1.00 23.08 ? 358 THR A CB 1 ATOM 770 O OG1 . THR A 1 100 ? 32.259 43.525 -6.116 1.00 24.84 ? 358 THR A OG1 1 ATOM 771 C CG2 . THR A 1 100 ? 32.420 41.134 -6.326 1.00 23.97 ? 358 THR A CG2 1 ATOM 772 N N . ILE A 1 101 ? 30.366 39.941 -4.126 1.00 20.76 ? 359 ILE A N 1 ATOM 773 C CA . ILE A 1 101 ? 30.360 38.620 -3.524 1.00 21.67 ? 359 ILE A CA 1 ATOM 774 C C . ILE A 1 101 ? 30.266 37.550 -4.623 1.00 21.55 ? 359 ILE A C 1 ATOM 775 O O . ILE A 1 101 ? 29.737 37.796 -5.720 1.00 19.22 ? 359 ILE A O 1 ATOM 776 C CB . ILE A 1 101 ? 29.221 38.484 -2.475 1.00 24.27 ? 359 ILE A CB 1 ATOM 777 C CG1 . ILE A 1 101 ? 29.425 37.255 -1.601 1.00 27.15 ? 359 ILE A CG1 1 ATOM 778 C CG2 . ILE A 1 101 ? 27.842 38.437 -3.131 1.00 24.18 ? 359 ILE A CG2 1 ATOM 779 C CD1 . ILE A 1 101 ? 28.622 37.306 -0.319 1.00 28.53 ? 359 ILE A CD1 1 ATOM 780 N N . SER A 1 102 ? 30.798 36.375 -4.311 1.00 19.96 ? 360 SER A N 1 ATOM 781 C CA . SER A 1 102 ? 30.674 35.221 -5.173 1.00 21.07 ? 360 SER A CA 1 ATOM 782 C C . SER A 1 102 ? 30.878 33.974 -4.339 1.00 20.82 ? 360 SER A C 1 ATOM 783 O O . SER A 1 102 ? 31.299 34.043 -3.189 1.00 20.57 ? 360 SER A O 1 ATOM 784 C CB . SER A 1 102 ? 31.720 35.256 -6.284 1.00 21.65 ? 360 SER A CB 1 ATOM 785 O OG . SER A 1 102 ? 32.991 34.865 -5.777 1.00 23.30 ? 360 SER A OG 1 ATOM 786 N N . LYS A 1 103 ? 30.583 32.833 -4.934 1.00 21.17 ? 361 LYS A N 1 ATOM 787 C CA . LYS A 1 103 ? 30.972 31.553 -4.369 1.00 22.62 ? 361 LYS A CA 1 ATOM 788 C C . LYS A 1 103 ? 32.495 31.495 -4.212 1.00 22.52 ? 361 LYS A C 1 ATOM 789 O O . LYS A 1 103 ? 33.229 32.144 -4.970 1.00 21.57 ? 361 LYS A O 1 ATOM 790 C CB . LYS A 1 103 ? 30.524 30.444 -5.305 1.00 24.43 ? 361 LYS A CB 1 ATOM 791 C CG . LYS A 1 103 ? 30.639 29.059 -4.714 1.00 25.67 ? 361 LYS A CG 1 ATOM 792 C CD . LYS A 1 103 ? 30.336 28.000 -5.768 1.00 26.59 ? 361 LYS A CD 1 ATOM 793 C CE . LYS A 1 103 ? 31.473 27.859 -6.760 1.00 26.42 ? 361 LYS A CE 1 ATOM 794 N NZ . LYS A 1 103 ? 31.334 26.635 -7.594 1.00 26.61 ? 361 LYS A NZ 1 ATOM 795 N N . ALA A 1 104 ? 32.956 30.723 -3.233 1.00 22.14 ? 362 ALA A N 1 ATOM 796 C CA . ALA A 1 104 ? 34.388 30.520 -3.024 1.00 23.78 ? 362 ALA A CA 1 ATOM 797 C C . ALA A 1 104 ? 35.038 29.917 -4.255 1.00 23.38 ? 362 ALA A C 1 ATOM 798 O O . ALA A 1 104 ? 34.475 29.067 -4.919 1.00 23.88 ? 362 ALA A O 1 ATOM 799 C CB . ALA A 1 104 ? 34.656 29.643 -1.810 1.00 25.10 ? 362 ALA A CB 1 ATOM 800 N N . LYS A 1 105 ? 36.248 30.369 -4.531 1.00 23.14 ? 363 LYS A N 1 ATOM 801 C CA . LYS A 1 105 ? 36.955 30.007 -5.726 1.00 23.17 ? 363 LYS A CA 1 ATOM 802 C C . LYS A 1 105 ? 37.794 28.759 -5.467 1.00 21.94 ? 363 LYS A C 1 ATOM 803 O O . LYS A 1 105 ? 38.208 28.494 -4.346 1.00 21.35 ? 363 LYS A O 1 ATOM 804 C CB . LYS A 1 105 ? 37.815 31.196 -6.178 1.00 26.21 ? 363 LYS A CB 1 ATOM 805 C CG . LYS A 1 105 ? 36.961 32.363 -6.702 1.00 28.05 ? 363 LYS A CG 1 ATOM 806 C CD . LYS A 1 105 ? 37.742 33.659 -6.903 1.00 30.22 ? 363 LYS A CD 1 ATOM 807 C CE . LYS A 1 105 ? 36.804 34.856 -7.095 1.00 30.66 ? 363 LYS A CE 1 ATOM 808 N N . GLY A 1 106 ? 38.014 27.990 -6.515 1.00 20.58 ? 364 GLY A N 1 ATOM 809 C CA . GLY A 1 106 ? 38.739 26.744 -6.424 1.00 20.75 ? 364 GLY A CA 1 ATOM 810 C C . GLY A 1 106 ? 37.938 25.601 -7.018 1.00 20.93 ? 364 GLY A C 1 ATOM 811 O O . GLY A 1 106 ? 36.698 25.654 -7.108 1.00 19.75 ? 364 GLY A O 1 ATOM 812 N N . GLN A 1 107 ? 38.660 24.563 -7.411 1.00 21.49 ? 365 GLN A N 1 ATOM 813 C CA . GLN A 1 107 ? 38.062 23.383 -8.015 1.00 22.95 ? 365 GLN A CA 1 ATOM 814 C C . GLN A 1 107 ? 37.145 22.649 -7.021 1.00 21.55 ? 365 GLN A C 1 ATOM 815 O O . GLN A 1 107 ? 37.552 22.323 -5.906 1.00 20.47 ? 365 GLN A O 1 ATOM 816 C CB . GLN A 1 107 ? 39.150 22.448 -8.530 1.00 23.83 ? 365 GLN A CB 1 ATOM 817 C CG . GLN A 1 107 ? 39.863 22.935 -9.792 1.00 25.35 ? 365 GLN A CG 1 ATOM 818 C CD . GLN A 1 107 ? 41.102 22.099 -10.102 1.00 26.83 ? 365 GLN A CD 1 ATOM 819 O OE1 . GLN A 1 107 ? 41.400 21.130 -9.406 1.00 28.21 ? 365 GLN A OE1 1 ATOM 820 N NE2 . GLN A 1 107 ? 41.823 22.467 -11.144 1.00 28.43 ? 365 GLN A NE2 1 ATOM 821 N N . PRO A 1 108 ? 35.887 22.429 -7.408 1.00 21.42 ? 366 PRO A N 1 ATOM 822 C CA . PRO A 1 108 ? 35.019 21.658 -6.518 1.00 21.19 ? 366 PRO A CA 1 ATOM 823 C C . PRO A 1 108 ? 35.493 20.216 -6.309 1.00 20.11 ? 366 PRO A C 1 ATOM 824 O O . PRO A 1 108 ? 36.093 19.627 -7.192 1.00 18.42 ? 366 PRO A O 1 ATOM 825 C CB . PRO A 1 108 ? 33.653 21.711 -7.225 1.00 21.68 ? 366 PRO A CB 1 ATOM 826 C CG . PRO A 1 108 ? 33.698 22.997 -7.987 1.00 23.10 ? 366 PRO A CG 1 ATOM 827 C CD . PRO A 1 108 ? 35.122 23.056 -8.503 1.00 22.62 ? 366 PRO A CD 1 ATOM 828 N N . ARG A 1 109 ? 35.247 19.684 -5.119 1.00 19.82 ? 367 ARG A N 1 ATOM 829 C CA . ARG A 1 109 ? 35.590 18.308 -4.789 1.00 20.22 ? 367 ARG A CA 1 ATOM 830 C C . ARG A 1 109 ? 34.386 17.659 -4.141 1.00 19.04 ? 367 ARG A C 1 ATOM 831 O O . ARG A 1 109 ? 33.689 18.260 -3.336 1.00 17.52 ? 367 ARG A O 1 ATOM 832 C CB . ARG A 1 109 ? 36.774 18.237 -3.814 1.00 22.56 ? 367 ARG A CB 1 ATOM 833 C CG . ARG A 1 109 ? 38.113 18.646 -4.418 1.00 24.76 ? 367 ARG A CG 1 ATOM 834 C CD . ARG A 1 109 ? 39.256 18.461 -3.428 1.00 26.61 ? 367 ARG A CD 1 ATOM 835 N NE . ARG A 1 109 ? 39.382 17.080 -2.971 1.00 29.13 ? 367 ARG A NE 1 ATOM 836 C CZ . ARG A 1 109 ? 40.235 16.663 -2.030 1.00 31.68 ? 367 ARG A CZ 1 ATOM 837 N NH1 . ARG A 1 109 ? 41.066 17.508 -1.436 1.00 31.63 ? 367 ARG A NH1 1 ATOM 838 N NH2 . ARG A 1 109 ? 40.259 15.385 -1.686 1.00 33.95 ? 367 ARG A NH2 1 ATOM 839 N N . GLU A 1 110 ? 34.168 16.416 -4.513 1.00 18.80 ? 368 GLU A N 1 ATOM 840 C CA . GLU A 1 110 ? 32.982 15.681 -4.162 1.00 20.16 ? 368 GLU A CA 1 ATOM 841 C C . GLU A 1 110 ? 33.056 15.193 -2.708 1.00 18.24 ? 368 GLU A C 1 ATOM 842 O O . GLU A 1 110 ? 34.034 14.602 -2.324 1.00 18.49 ? 368 GLU A O 1 ATOM 843 C CB . GLU A 1 110 ? 32.897 14.487 -5.101 1.00 22.01 ? 368 GLU A CB 1 ATOM 844 C CG . GLU A 1 110 ? 31.769 13.538 -4.829 1.00 25.32 ? 368 GLU A CG 1 ATOM 845 C CD . GLU A 1 110 ? 31.853 12.362 -5.758 1.00 28.25 ? 368 GLU A CD 1 ATOM 846 O OE1 . GLU A 1 110 ? 32.985 11.918 -5.992 1.00 34.29 ? 368 GLU A OE1 1 ATOM 847 O OE2 . GLU A 1 110 ? 30.818 11.903 -6.261 1.00 31.62 ? 368 GLU A OE2 1 ATOM 848 N N . PRO A 1 111 ? 32.023 15.458 -1.901 1.00 17.52 ? 369 PRO A N 1 ATOM 849 C CA . PRO A 1 111 ? 32.019 14.912 -0.548 1.00 17.38 ? 369 PRO A CA 1 ATOM 850 C C . PRO A 1 111 ? 32.083 13.377 -0.525 1.00 18.17 ? 369 PRO A C 1 ATOM 851 O O . PRO A 1 111 ? 31.443 12.705 -1.343 1.00 17.40 ? 369 PRO A O 1 ATOM 852 C CB . PRO A 1 111 ? 30.685 15.388 0.039 1.00 17.31 ? 369 PRO A CB 1 ATOM 853 C CG . PRO A 1 111 ? 30.174 16.449 -0.866 1.00 17.42 ? 369 PRO A CG 1 ATOM 854 C CD . PRO A 1 111 ? 30.840 16.285 -2.194 1.00 17.57 ? 369 PRO A CD 1 ATOM 855 N N . GLN A 1 112 ? 32.870 12.844 0.398 1.00 18.11 ? 370 GLN A N 1 ATOM 856 C CA . GLN A 1 112 ? 32.806 11.439 0.750 1.00 19.09 ? 370 GLN A CA 1 ATOM 857 C C . GLN A 1 112 ? 31.926 11.371 1.983 1.00 19.36 ? 370 GLN A C 1 ATOM 858 O O . GLN A 1 112 ? 32.181 12.093 2.958 1.00 19.25 ? 370 GLN A O 1 ATOM 859 C CB . GLN A 1 112 ? 34.194 10.887 1.090 1.00 20.39 ? 370 GLN A CB 1 ATOM 860 C CG . GLN A 1 112 ? 35.263 11.169 0.058 1.00 22.40 ? 370 GLN A CG 1 ATOM 861 C CD . GLN A 1 112 ? 36.661 11.134 0.672 1.00 25.97 ? 370 GLN A CD 1 ATOM 862 O OE1 . GLN A 1 112 ? 37.003 10.233 1.476 1.00 28.86 ? 370 GLN A OE1 1 ATOM 863 N NE2 . GLN A 1 112 ? 37.478 12.112 0.310 1.00 27.04 ? 370 GLN A NE2 1 ATOM 864 N N . VAL A 1 113 ? 30.917 10.493 1.962 1.00 18.06 ? 371 VAL A N 1 ATOM 865 C CA . VAL A 1 113 ? 29.946 10.419 3.045 1.00 17.80 ? 371 VAL A CA 1 ATOM 866 C C . VAL A 1 113 ? 30.060 9.059 3.726 1.00 18.43 ? 371 VAL A C 1 ATOM 867 O O . VAL A 1 113 ? 29.879 8.032 3.086 1.00 17.59 ? 371 VAL A O 1 ATOM 868 C CB . VAL A 1 113 ? 28.521 10.637 2.523 1.00 17.91 ? 371 VAL A CB 1 ATOM 869 C CG1 . VAL A 1 113 ? 27.512 10.575 3.667 1.00 18.11 ? 371 VAL A CG1 1 ATOM 870 C CG2 . VAL A 1 113 ? 28.438 11.975 1.786 1.00 17.92 ? 371 VAL A CG2 1 ATOM 871 N N . TYR A 1 114 ? 30.379 9.074 5.017 1.00 17.49 ? 372 TYR A N 1 ATOM 872 C CA . TYR A 1 114 ? 30.555 7.856 5.793 1.00 18.59 ? 372 TYR A CA 1 ATOM 873 C C . TYR A 1 114 ? 29.648 7.907 7.008 1.00 19.15 ? 372 TYR A C 1 ATOM 874 O O . TYR A 1 114 ? 29.650 8.904 7.736 1.00 19.26 ? 372 TYR A O 1 ATOM 875 C CB . TYR A 1 114 ? 32.004 7.734 6.262 1.00 18.04 ? 372 TYR A CB 1 ATOM 876 C CG . TYR A 1 114 ? 33.010 7.761 5.141 1.00 17.99 ? 372 TYR A CG 1 ATOM 877 C CD1 . TYR A 1 114 ? 33.013 6.759 4.168 1.00 17.79 ? 372 TYR A CD1 1 ATOM 878 C CD2 . TYR A 1 114 ? 33.940 8.794 5.027 1.00 17.84 ? 372 TYR A CD2 1 ATOM 879 C CE1 . TYR A 1 114 ? 33.919 6.781 3.129 1.00 18.06 ? 372 TYR A CE1 1 ATOM 880 C CE2 . TYR A 1 114 ? 34.862 8.823 3.983 1.00 17.92 ? 372 TYR A CE2 1 ATOM 881 C CZ . TYR A 1 114 ? 34.843 7.809 3.038 1.00 18.51 ? 372 TYR A CZ 1 ATOM 882 O OH . TYR A 1 114 ? 35.738 7.814 1.992 1.00 18.80 ? 372 TYR A OH 1 ATOM 883 N N . THR A 1 115 ? 28.894 6.829 7.229 1.00 18.76 ? 373 THR A N 1 ATOM 884 C CA . THR A 1 115 ? 28.064 6.670 8.420 1.00 18.17 ? 373 THR A CA 1 ATOM 885 C C . THR A 1 115 ? 28.755 5.793 9.483 1.00 17.90 ? 373 THR A C 1 ATOM 886 O O . THR A 1 115 ? 29.295 4.746 9.177 1.00 17.48 ? 373 THR A O 1 ATOM 887 C CB . THR A 1 115 ? 26.699 6.049 8.071 1.00 18.49 ? 373 THR A CB 1 ATOM 888 O OG1 . THR A 1 115 ? 26.894 4.768 7.451 1.00 18.09 ? 373 THR A OG1 1 ATOM 889 C CG2 . THR A 1 115 ? 25.932 6.956 7.126 1.00 18.81 ? 373 THR A CG2 1 ATOM 890 N N . LEU A 1 116 ? 28.727 6.231 10.733 1.00 17.26 ? 374 LEU A N 1 ATOM 891 C CA . LEU A 1 116 ? 29.405 5.524 11.815 1.00 17.50 ? 374 LEU A CA 1 ATOM 892 C C . LEU A 1 116 ? 28.380 5.184 12.888 1.00 17.72 ? 374 LEU A C 1 ATOM 893 O O . LEU A 1 116 ? 27.607 6.053 13.311 1.00 17.43 ? 374 LEU A O 1 ATOM 894 C CB . LEU A 1 116 ? 30.541 6.370 12.420 1.00 17.46 ? 374 LEU A CB 1 ATOM 895 C CG . LEU A 1 116 ? 31.467 7.072 11.420 1.00 17.57 ? 374 LEU A CG 1 ATOM 896 C CD1 . LEU A 1 116 ? 32.384 8.048 12.130 1.00 18.46 ? 374 LEU A CD1 1 ATOM 897 C CD2 . LEU A 1 116 ? 32.302 6.081 10.627 1.00 18.23 ? 374 LEU A CD2 1 ATOM 898 N N . PRO A 1 117 ? 28.363 3.918 13.326 1.00 18.27 ? 375 PRO A N 1 ATOM 899 C CA . PRO A 1 117 ? 27.382 3.534 14.311 1.00 19.07 ? 375 PRO A CA 1 ATOM 900 C C . PRO A 1 117 ? 27.781 4.019 15.707 1.00 18.98 ? 375 PRO A C 1 ATOM 901 O O . PRO A 1 117 ? 28.910 4.483 15.911 1.00 18.89 ? 375 PRO A O 1 ATOM 902 C CB . PRO A 1 117 ? 27.370 1.993 14.221 1.00 19.23 ? 375 PRO A CB 1 ATOM 903 C CG . PRO A 1 117 ? 28.744 1.632 13.776 1.00 19.56 ? 375 PRO A CG 1 ATOM 904 C CD . PRO A 1 117 ? 29.184 2.770 12.874 1.00 19.22 ? 375 PRO A CD 1 ATOM 905 N N . PRO A 1 118 ? 26.852 3.935 16.656 1.00 19.92 ? 376 PRO A N 1 ATOM 906 C CA . PRO A 1 118 ? 27.198 4.314 18.015 1.00 21.47 ? 376 PRO A CA 1 ATOM 907 C C . PRO A 1 118 ? 28.359 3.475 18.571 1.00 22.66 ? 376 PRO A C 1 ATOM 908 O O . PRO A 1 118 ? 28.518 2.322 18.208 1.00 23.60 ? 376 PRO A O 1 ATOM 909 C CB . PRO A 1 118 ? 25.909 4.039 18.806 1.00 21.17 ? 376 PRO A CB 1 ATOM 910 C CG . PRO A 1 118 ? 24.835 3.841 17.810 1.00 20.52 ? 376 PRO A CG 1 ATOM 911 C CD . PRO A 1 118 ? 25.491 3.381 16.549 1.00 20.20 ? 376 PRO A CD 1 ATOM 912 N N . SER A 1 119 ? 29.186 4.079 19.410 1.00 24.03 ? 377 SER A N 1 ATOM 913 C CA . SER A 1 119 ? 30.162 3.338 20.178 1.00 26.06 ? 377 SER A CA 1 ATOM 914 C C . SER A 1 119 ? 29.456 2.331 21.095 1.00 25.08 ? 377 SER A C 1 ATOM 915 O O . SER A 1 119 ? 28.354 2.583 21.580 1.00 25.08 ? 377 SER A O 1 ATOM 916 C CB . SER A 1 119 ? 30.998 4.304 21.016 1.00 27.69 ? 377 SER A CB 1 ATOM 917 O OG . SER A 1 119 ? 31.691 3.619 22.037 1.00 29.36 ? 377 SER A OG 1 ATOM 918 N N . ARG A 1 120 ? 30.088 1.187 21.313 1.00 26.36 ? 378 ARG A N 1 ATOM 919 C CA . ARG A 1 120 ? 29.560 0.165 22.233 1.00 27.54 ? 378 ARG A CA 1 ATOM 920 C C . ARG A 1 120 ? 29.448 0.758 23.631 1.00 27.55 ? 378 ARG A C 1 ATOM 921 O O . ARG A 1 120 ? 28.480 0.510 24.347 1.00 28.00 ? 378 ARG A O 1 ATOM 922 C CB . ARG A 1 120 ? 30.480 -1.067 22.259 1.00 28.61 ? 378 ARG A CB 1 ATOM 923 N N . GLU A 1 121 ? 30.424 1.586 23.993 1.00 29.14 ? 379 GLU A N 1 ATOM 924 C CA . GLU A 1 121 ? 30.417 2.282 25.282 1.00 29.33 ? 379 GLU A CA 1 ATOM 925 C C . GLU A 1 121 ? 29.190 3.173 25.471 1.00 29.56 ? 379 GLU A C 1 ATOM 926 O O . GLU A 1 121 ? 28.734 3.363 26.599 1.00 29.62 ? 379 GLU A O 1 ATOM 927 C CB . GLU A 1 121 ? 31.703 3.103 25.465 1.00 32.57 ? 379 GLU A CB 1 ATOM 928 C CG . GLU A 1 121 ? 33.003 2.288 25.462 1.00 35.43 ? 379 GLU A CG 1 ATOM 929 C CD . GLU A 1 121 ? 33.069 1.245 26.570 1.00 37.77 ? 379 GLU A CD 1 ATOM 930 O OE1 . GLU A 1 121 ? 33.338 0.067 26.271 1.00 46.74 ? 379 GLU A OE1 1 ATOM 931 O OE2 . GLU A 1 121 ? 32.850 1.586 27.742 1.00 40.46 ? 379 GLU A OE2 1 ATOM 932 N N . GLU A 1 122 ? 28.633 3.699 24.379 1.00 26.65 ? 380 GLU A N 1 ATOM 933 C CA . GLU A 1 122 ? 27.432 4.543 24.469 1.00 25.43 ? 380 GLU A CA 1 ATOM 934 C C . GLU A 1 122 ? 26.145 3.747 24.739 1.00 26.28 ? 380 GLU A C 1 ATOM 935 O O . GLU A 1 122 ? 25.134 4.317 25.154 1.00 25.00 ? 380 GLU A O 1 ATOM 936 C CB . GLU A 1 122 ? 27.248 5.378 23.189 1.00 23.24 ? 380 GLU A CB 1 ATOM 937 C CG . GLU A 1 122 ? 26.331 6.591 23.383 1.00 21.90 ? 380 GLU A CG 1 ATOM 938 C CD . GLU A 1 122 ? 26.167 7.428 22.121 1.00 20.73 ? 380 GLU A CD 1 ATOM 939 O OE1 . GLU A 1 122 ? 26.441 6.934 21.016 1.00 19.98 ? 380 GLU A OE1 1 ATOM 940 O OE2 . GLU A 1 122 ? 25.764 8.592 22.235 1.00 20.70 ? 380 GLU A OE2 1 ATOM 941 N N . MET A 1 123 ? 26.174 2.437 24.511 1.00 29.83 ? 381 MET A N 1 ATOM 942 C CA . MET A 1 123 ? 24.970 1.604 24.680 1.00 33.30 ? 381 MET A CA 1 ATOM 943 C C . MET A 1 123 ? 24.485 1.455 26.141 1.00 34.80 ? 381 MET A C 1 ATOM 944 O O . MET A 1 123 ? 23.497 0.753 26.395 1.00 37.50 ? 381 MET A O 1 ATOM 945 C CB . MET A 1 123 ? 25.180 0.223 24.047 1.00 35.98 ? 381 MET A CB 1 ATOM 946 C CG . MET A 1 123 ? 25.564 0.231 22.569 1.00 38.03 ? 381 MET A CG 1 ATOM 947 S SD . MET A 1 123 ? 24.324 0.878 21.416 1.00 40.75 ? 381 MET A SD 1 ATOM 948 C CE . MET A 1 123 ? 22.984 -0.295 21.597 1.00 43.38 ? 381 MET A CE 1 ATOM 949 N N . THR A 1 124 ? 25.158 2.122 27.087 1.00 33.57 ? 382 THR A N 1 ATOM 950 C CA . THR A 1 124 ? 24.691 2.214 28.471 1.00 34.04 ? 382 THR A CA 1 ATOM 951 C C . THR A 1 124 ? 23.684 3.343 28.656 1.00 35.36 ? 382 THR A C 1 ATOM 952 O O . THR A 1 124 ? 23.125 3.508 29.747 1.00 36.19 ? 382 THR A O 1 ATOM 953 C CB . THR A 1 124 ? 25.848 2.477 29.470 1.00 35.15 ? 382 THR A CB 1 ATOM 954 O OG1 . THR A 1 124 ? 26.257 3.855 29.404 1.00 35.00 ? 382 THR A OG1 1 ATOM 955 C CG2 . THR A 1 124 ? 27.052 1.565 29.195 1.00 33.37 ? 382 THR A CG2 1 ATOM 956 N N . LYS A 1 125 ? 23.472 4.147 27.614 1.00 35.23 ? 383 LYS A N 1 ATOM 957 C CA . LYS A 1 125 ? 22.538 5.267 27.688 1.00 33.30 ? 383 LYS A CA 1 ATOM 958 C C . LYS A 1 125 ? 21.217 4.889 27.039 1.00 32.80 ? 383 LYS A C 1 ATOM 959 O O . LYS A 1 125 ? 21.145 3.887 26.334 1.00 32.26 ? 383 LYS A O 1 ATOM 960 C CB . LYS A 1 125 ? 23.132 6.501 27.000 1.00 34.70 ? 383 LYS A CB 1 ATOM 961 C CG . LYS A 1 125 ? 24.587 6.788 27.363 1.00 34.94 ? 383 LYS A CG 1 ATOM 962 C CD . LYS A 1 125 ? 24.772 6.968 28.863 1.00 35.97 ? 383 LYS A CD 1 ATOM 963 N N . ASN A 1 126 ? 20.194 5.710 27.285 1.00 33.84 ? 384 ASN A N 1 ATOM 964 C CA . ASN A 1 126 ? 18.854 5.555 26.699 1.00 33.78 ? 384 ASN A CA 1 ATOM 965 C C . ASN A 1 126 ? 18.785 6.047 25.268 1.00 30.87 ? 384 ASN A C 1 ATOM 966 O O . ASN A 1 126 ? 17.919 5.638 24.501 1.00 29.08 ? 384 ASN A O 1 ATOM 967 C CB . ASN A 1 126 ? 17.841 6.404 27.462 1.00 36.67 ? 384 ASN A CB 1 ATOM 968 C CG . ASN A 1 126 ? 17.722 6.018 28.919 1.00 40.74 ? 384 ASN A CG 1 ATOM 969 O OD1 . ASN A 1 126 ? 17.800 4.843 29.270 1.00 44.20 ? 384 ASN A OD1 1 ATOM 970 N ND2 . ASN A 1 126 ? 17.511 7.013 29.775 1.00 41.96 ? 384 ASN A ND2 1 ATOM 971 N N . GLN A 1 127 ? 19.644 7.009 24.957 1.00 29.00 ? 385 GLN A N 1 ATOM 972 C CA . GLN A 1 127 ? 19.749 7.571 23.615 1.00 26.95 ? 385 GLN A CA 1 ATOM 973 C C . GLN A 1 127 ? 21.177 7.400 23.116 1.00 24.61 ? 385 GLN A C 1 ATOM 974 O O . GLN A 1 127 ? 22.124 7.577 23.871 1.00 23.52 ? 385 GLN A O 1 ATOM 975 C CB . GLN A 1 127 ? 19.340 9.046 23.628 1.00 28.18 ? 385 GLN A CB 1 ATOM 976 C CG . GLN A 1 127 ? 17.854 9.265 23.904 1.00 30.92 ? 385 GLN A CG 1 ATOM 977 C CD . GLN A 1 127 ? 17.347 10.649 23.501 1.00 33.97 ? 385 GLN A CD 1 ATOM 978 O OE1 . GLN A 1 127 ? 17.875 11.674 23.934 1.00 35.05 ? 385 GLN A OE1 1 ATOM 979 N NE2 . GLN A 1 127 ? 16.307 10.680 22.673 1.00 37.91 ? 385 GLN A NE2 1 ATOM 980 N N . VAL A 1 128 ? 21.317 7.042 21.842 1.00 22.84 ? 386 VAL A N 1 ATOM 981 C CA . VAL A 1 128 ? 22.620 6.783 21.219 1.00 20.64 ? 386 VAL A CA 1 ATOM 982 C C . VAL A 1 128 ? 22.813 7.706 20.011 1.00 19.18 ? 386 VAL A C 1 ATOM 983 O O . VAL A 1 128 ? 21.865 8.306 19.526 1.00 18.96 ? 386 VAL A O 1 ATOM 984 C CB . VAL A 1 128 ? 22.794 5.302 20.796 1.00 20.46 ? 386 VAL A CB 1 ATOM 985 C CG1 . VAL A 1 128 ? 22.811 4.395 22.026 1.00 21.58 ? 386 VAL A CG1 1 ATOM 986 C CG2 . VAL A 1 128 ? 21.709 4.872 19.832 1.00 20.53 ? 386 VAL A CG2 1 ATOM 987 N N . SER A 1 129 ? 24.056 7.789 19.553 1.00 18.25 ? 387 SER A N 1 ATOM 988 C CA . SER A 1 129 ? 24.493 8.775 18.573 1.00 17.59 ? 387 SER A CA 1 ATOM 989 C C . SER A 1 129 ? 24.830 8.081 17.266 1.00 16.95 ? 387 SER A C 1 ATOM 990 O O . SER A 1 129 ? 25.668 7.153 17.232 1.00 17.46 ? 387 SER A O 1 ATOM 991 C CB . SER A 1 129 ? 25.732 9.510 19.097 1.00 16.75 ? 387 SER A CB 1 ATOM 992 O OG . SER A 1 129 ? 25.398 10.229 20.267 1.00 17.09 ? 387 SER A OG 1 ATOM 993 N N . LEU A 1 130 ? 24.168 8.514 16.203 1.00 16.35 ? 388 LEU A N 1 ATOM 994 C CA . LEU A 1 130 ? 24.482 8.063 14.859 1.00 16.69 ? 388 LEU A CA 1 ATOM 995 C C . LEU A 1 130 ? 25.267 9.191 14.189 1.00 16.12 ? 388 LEU A C 1 ATOM 996 O O . LEU A 1 130 ? 24.833 10.344 14.170 1.00 15.93 ? 388 LEU A O 1 ATOM 997 C CB . LEU A 1 130 ? 23.203 7.732 14.074 1.00 18.28 ? 388 LEU A CB 1 ATOM 998 C CG . LEU A 1 130 ? 22.509 6.393 14.394 1.00 20.47 ? 388 LEU A CG 1 ATOM 999 C CD1 . LEU A 1 130 ? 22.192 6.260 15.861 1.00 21.53 ? 388 LEU A CD1 1 ATOM 1000 C CD2 . LEU A 1 130 ? 21.240 6.193 13.572 1.00 21.04 ? 388 LEU A CD2 1 ATOM 1001 N N . THR A 1 131 ? 26.409 8.841 13.625 1.00 15.48 ? 389 THR A N 1 ATOM 1002 C CA . THR A 1 131 ? 27.344 9.816 13.108 1.00 15.78 ? 389 THR A CA 1 ATOM 1003 C C . THR A 1 131 ? 27.440 9.710 11.619 1.00 16.08 ? 389 THR A C 1 ATOM 1004 O O . THR A 1 131 ? 27.532 8.603 11.055 1.00 16.35 ? 389 THR A O 1 ATOM 1005 C CB . THR A 1 131 ? 28.731 9.656 13.743 1.00 15.46 ? 389 THR A CB 1 ATOM 1006 O OG1 . THR A 1 131 ? 28.618 9.882 15.145 1.00 15.02 ? 389 THR A OG1 1 ATOM 1007 C CG2 . THR A 1 131 ? 29.727 10.669 13.153 1.00 16.11 ? 389 THR A CG2 1 ATOM 1008 N N . CYS A 1 132 ? 27.355 10.877 10.980 1.00 16.55 ? 390 CYS A N 1 ATOM 1009 C CA . CYS A 1 132 ? 27.621 11.013 9.564 1.00 16.62 ? 390 CYS A CA 1 ATOM 1010 C C . CYS A 1 132 ? 28.830 11.942 9.394 1.00 15.60 ? 390 CYS A C 1 ATOM 1011 O O . CYS A 1 132 ? 28.764 13.146 9.694 1.00 15.35 ? 390 CYS A O 1 ATOM 1012 C CB . CYS A 1 132 ? 26.372 11.541 8.868 1.00 18.60 ? 390 CYS A CB 1 ATOM 1013 S SG . CYS A 1 132 ? 26.458 11.664 7.073 1.00 22.46 ? 390 CYS A SG 1 ATOM 1014 N N . LEU A 1 133 ? 29.941 11.352 8.956 1.00 14.16 ? 391 LEU A N 1 ATOM 1015 C CA . LEU A 1 133 ? 31.139 12.073 8.580 1.00 14.34 ? 391 LEU A CA 1 ATOM 1016 C C . LEU A 1 133 ? 31.058 12.420 7.098 1.00 14.30 ? 391 LEU A C 1 ATOM 1017 O O . LEU A 1 133 ? 30.900 11.530 6.258 1.00 14.09 ? 391 LEU A O 1 ATOM 1018 C CB . LEU A 1 133 ? 32.399 11.221 8.827 1.00 14.27 ? 391 LEU A CB 1 ATOM 1019 C CG . LEU A 1 133 ? 33.731 11.699 8.228 1.00 14.48 ? 391 LEU A CG 1 ATOM 1020 C CD1 . LEU A 1 133 ? 34.053 13.109 8.686 1.00 14.84 ? 391 LEU A CD1 1 ATOM 1021 C CD2 . LEU A 1 133 ? 34.878 10.759 8.572 1.00 14.60 ? 391 LEU A CD2 1 ATOM 1022 N N . VAL A 1 134 ? 31.173 13.703 6.798 1.00 13.84 ? 392 VAL A N 1 ATOM 1023 C CA . VAL A 1 134 ? 31.217 14.192 5.422 1.00 14.46 ? 392 VAL A CA 1 ATOM 1024 C C . VAL A 1 134 ? 32.545 14.914 5.209 1.00 14.31 ? 392 VAL A C 1 ATOM 1025 O O . VAL A 1 134 ? 32.810 15.927 5.839 1.00 13.67 ? 392 VAL A O 1 ATOM 1026 C CB . VAL A 1 134 ? 30.070 15.171 5.152 1.00 14.73 ? 392 VAL A CB 1 ATOM 1027 C CG1 . VAL A 1 134 ? 30.029 15.567 3.675 1.00 15.11 ? 392 VAL A CG1 1 ATOM 1028 C CG2 . VAL A 1 134 ? 28.743 14.585 5.605 1.00 15.10 ? 392 VAL A CG2 1 ATOM 1029 N N . LYS A 1 135 ? 33.387 14.386 4.338 1.00 14.67 ? 393 LYS A N 1 ATOM 1030 C CA . LYS A 1 135 ? 34.721 14.930 4.184 1.00 15.72 ? 393 LYS A CA 1 ATOM 1031 C C . LYS A 1 135 ? 35.150 15.068 2.750 1.00 15.65 ? 393 LYS A C 1 ATOM 1032 O O . LYS A 1 135 ? 34.517 14.531 1.832 1.00 15.50 ? 393 LYS A O 1 ATOM 1033 C CB . LYS A 1 135 ? 35.752 14.097 4.965 1.00 17.38 ? 393 LYS A CB 1 ATOM 1034 C CG . LYS A 1 135 ? 35.882 12.639 4.569 1.00 18.53 ? 393 LYS A CG 1 ATOM 1035 C CD . LYS A 1 135 ? 37.192 12.074 5.132 1.00 20.35 ? 393 LYS A CD 1 ATOM 1036 C CE . LYS A 1 135 ? 38.337 12.377 4.182 1.00 22.42 ? 393 LYS A CE 1 ATOM 1037 N NZ . LYS A 1 135 ? 39.686 11.999 4.692 1.00 24.65 ? 393 LYS A NZ 1 ATOM 1038 N N . GLY A 1 136 ? 36.249 15.792 2.578 1.00 15.27 ? 394 GLY A N 1 ATOM 1039 C CA . GLY A 1 136 ? 36.877 15.952 1.268 1.00 15.40 ? 394 GLY A CA 1 ATOM 1040 C C . GLY A 1 136 ? 36.087 16.830 0.320 1.00 15.77 ? 394 GLY A C 1 ATOM 1041 O O . GLY A 1 136 ? 36.265 16.727 -0.877 1.00 16.34 ? 394 GLY A O 1 ATOM 1042 N N . PHE A 1 137 ? 35.237 17.721 0.842 1.00 15.10 ? 395 PHE A N 1 ATOM 1043 C CA . PHE A 1 137 ? 34.400 18.535 -0.039 1.00 14.77 ? 395 PHE A CA 1 ATOM 1044 C C . PHE A 1 137 ? 34.894 19.954 -0.217 1.00 15.17 ? 395 PHE A C 1 ATOM 1045 O O . PHE A 1 137 ? 35.571 20.512 0.637 1.00 14.68 ? 395 PHE A O 1 ATOM 1046 C CB . PHE A 1 137 ? 32.919 18.504 0.344 1.00 14.34 ? 395 PHE A CB 1 ATOM 1047 C CG . PHE A 1 137 ? 32.584 19.049 1.721 1.00 14.01 ? 395 PHE A CG 1 ATOM 1048 C CD1 . PHE A 1 137 ? 32.542 18.214 2.823 1.00 13.68 ? 395 PHE A CD1 1 ATOM 1049 C CD2 . PHE A 1 137 ? 32.179 20.370 1.879 1.00 13.74 ? 395 PHE A CD2 1 ATOM 1050 C CE1 . PHE A 1 137 ? 32.157 18.693 4.074 1.00 13.64 ? 395 PHE A CE1 1 ATOM 1051 C CE2 . PHE A 1 137 ? 31.813 20.861 3.119 1.00 13.60 ? 395 PHE A CE2 1 ATOM 1052 C CZ . PHE A 1 137 ? 31.808 20.019 4.228 1.00 13.36 ? 395 PHE A CZ 1 ATOM 1053 N N . TYR A 1 138 ? 34.612 20.504 -1.385 1.00 15.60 ? 396 TYR A N 1 ATOM 1054 C CA . TYR A 1 138 ? 34.936 21.886 -1.658 1.00 16.38 ? 396 TYR A CA 1 ATOM 1055 C C . TYR A 1 138 ? 34.004 22.373 -2.749 1.00 16.98 ? 396 TYR A C 1 ATOM 1056 O O . TYR A 1 138 ? 33.718 21.630 -3.675 1.00 17.17 ? 396 TYR A O 1 ATOM 1057 C CB . TYR A 1 138 ? 36.404 22.041 -2.085 1.00 16.80 ? 396 TYR A CB 1 ATOM 1058 C CG . TYR A 1 138 ? 36.800 23.499 -2.076 1.00 17.46 ? 396 TYR A CG 1 ATOM 1059 C CD1 . TYR A 1 138 ? 36.571 24.302 -3.187 1.00 17.76 ? 396 TYR A CD1 1 ATOM 1060 C CD2 . TYR A 1 138 ? 37.329 24.093 -0.939 1.00 17.37 ? 396 TYR A CD2 1 ATOM 1061 C CE1 . TYR A 1 138 ? 36.878 25.653 -3.176 1.00 17.62 ? 396 TYR A CE1 1 ATOM 1062 C CE2 . TYR A 1 138 ? 37.651 25.438 -0.927 1.00 18.13 ? 396 TYR A CE2 1 ATOM 1063 C CZ . TYR A 1 138 ? 37.412 26.209 -2.054 1.00 17.66 ? 396 TYR A CZ 1 ATOM 1064 O OH . TYR A 1 138 ? 37.709 27.536 -2.063 1.00 18.27 ? 396 TYR A OH 1 ATOM 1065 N N . PRO A 1 139 ? 33.470 23.597 -2.615 1.00 18.33 ? 397 PRO A N 1 ATOM 1066 C CA . PRO A 1 139 ? 33.601 24.530 -1.487 1.00 18.32 ? 397 PRO A CA 1 ATOM 1067 C C . PRO A 1 139 ? 32.762 24.113 -0.268 1.00 18.13 ? 397 PRO A C 1 ATOM 1068 O O . PRO A 1 139 ? 32.191 23.019 -0.254 1.00 18.53 ? 397 PRO A O 1 ATOM 1069 C CB . PRO A 1 139 ? 33.132 25.848 -2.086 1.00 17.91 ? 397 PRO A CB 1 ATOM 1070 C CG . PRO A 1 139 ? 32.144 25.447 -3.105 1.00 18.54 ? 397 PRO A CG 1 ATOM 1071 C CD . PRO A 1 139 ? 32.646 24.170 -3.695 1.00 18.44 ? 397 PRO A CD 1 ATOM 1072 N N . SER A 1 140 ? 32.684 24.973 0.739 1.00 17.90 ? 398 SER A N 1 ATOM 1073 C CA . SER A 1 140 ? 32.129 24.578 2.030 1.00 18.46 ? 398 SER A CA 1 ATOM 1074 C C . SER A 1 140 ? 30.600 24.562 2.083 1.00 19.52 ? 398 SER A C 1 ATOM 1075 O O . SER A 1 140 ? 30.044 24.005 3.005 1.00 19.32 ? 398 SER A O 1 ATOM 1076 C CB . SER A 1 140 ? 32.648 25.483 3.123 1.00 18.13 ? 398 SER A CB 1 ATOM 1077 O OG . SER A 1 140 ? 32.209 26.802 2.907 1.00 17.98 ? 398 SER A OG 1 ATOM 1078 N N . ASP A 1 141 ? 29.943 25.153 1.090 1.00 19.94 ? 399 ASP A N 1 ATOM 1079 C CA . ASP A 1 141 ? 28.486 25.204 1.037 1.00 21.77 ? 399 ASP A CA 1 ATOM 1080 C C . ASP A 1 141 ? 27.899 23.802 0.894 1.00 19.41 ? 399 ASP A C 1 ATOM 1081 O O . ASP A 1 141 ? 28.238 23.065 -0.020 1.00 18.36 ? 399 ASP A O 1 ATOM 1082 C CB . ASP A 1 141 ? 28.040 26.085 -0.115 1.00 24.59 ? 399 ASP A CB 1 ATOM 1083 C CG . ASP A 1 141 ? 28.820 27.367 -0.158 1.00 29.49 ? 399 ASP A CG 1 ATOM 1084 O OD1 . ASP A 1 141 ? 28.513 28.257 0.682 1.00 32.07 ? 399 ASP A OD1 1 ATOM 1085 O OD2 . ASP A 1 141 ? 29.778 27.434 -0.974 1.00 29.90 ? 399 ASP A OD2 1 ATOM 1086 N N . ILE A 1 142 ? 27.030 23.447 1.824 1.00 18.29 ? 400 ILE A N 1 ATOM 1087 C CA . ILE A 1 142 ? 26.559 22.079 1.934 1.00 17.37 ? 400 ILE A CA 1 ATOM 1088 C C . ILE A 1 142 ? 25.350 22.059 2.846 1.00 17.61 ? 400 ILE A C 1 ATOM 1089 O O . ILE A 1 142 ? 25.192 22.952 3.678 1.00 17.11 ? 400 ILE A O 1 ATOM 1090 C CB . ILE A 1 142 ? 27.686 21.170 2.488 1.00 16.56 ? 400 ILE A CB 1 ATOM 1091 C CG1 . ILE A 1 142 ? 27.316 19.691 2.344 1.00 16.10 ? 400 ILE A CG1 1 ATOM 1092 C CG2 . ILE A 1 142 ? 28.016 21.528 3.946 1.00 16.28 ? 400 ILE A CG2 1 ATOM 1093 C CD1 . ILE A 1 142 ? 28.508 18.764 2.451 1.00 15.68 ? 400 ILE A CD1 1 ATOM 1094 N N . ALA A 1 143 ? 24.513 21.042 2.681 1.00 17.95 ? 401 ALA A N 1 ATOM 1095 C CA . ALA A 1 143 ? 23.367 20.821 3.550 1.00 19.15 ? 401 ALA A CA 1 ATOM 1096 C C . ALA A 1 143 ? 23.276 19.348 3.874 1.00 19.15 ? 401 ALA A C 1 ATOM 1097 O O . ALA A 1 143 ? 23.592 18.498 3.031 1.00 19.88 ? 401 ALA A O 1 ATOM 1098 C CB . ALA A 1 143 ? 22.087 21.290 2.888 1.00 19.54 ? 401 ALA A CB 1 ATOM 1099 N N . VAL A 1 144 ? 22.883 19.063 5.109 1.00 18.91 ? 402 VAL A N 1 ATOM 1100 C CA . VAL A 1 144 ? 22.811 17.708 5.615 1.00 19.16 ? 402 VAL A CA 1 ATOM 1101 C C . VAL A 1 144 ? 21.533 17.524 6.397 1.00 19.07 ? 402 VAL A C 1 ATOM 1102 O O . VAL A 1 144 ? 21.176 18.371 7.209 1.00 18.00 ? 402 VAL A O 1 ATOM 1103 C CB . VAL A 1 144 ? 23.991 17.371 6.552 1.00 19.86 ? 402 VAL A CB 1 ATOM 1104 C CG1 . VAL A 1 144 ? 23.854 15.945 7.107 1.00 19.01 ? 402 VAL A CG1 1 ATOM 1105 C CG2 . VAL A 1 144 ? 25.317 17.556 5.818 1.00 19.88 ? 402 VAL A CG2 1 ATOM 1106 N N . GLU A 1 145 ? 20.868 16.404 6.135 1.00 19.26 ? 403 GLU A N 1 ATOM 1107 C CA . GLU A 1 145 ? 19.637 16.004 6.820 1.00 20.71 ? 403 GLU A CA 1 ATOM 1108 C C . GLU A 1 145 ? 19.662 14.524 7.101 1.00 18.64 ? 403 GLU A C 1 ATOM 1109 O O . GLU A 1 145 ? 20.490 13.795 6.555 1.00 16.50 ? 403 GLU A O 1 ATOM 1110 C CB . GLU A 1 145 ? 18.431 16.245 5.907 1.00 24.52 ? 403 GLU A CB 1 ATOM 1111 C CG . GLU A 1 145 ? 17.883 17.649 5.908 1.00 28.15 ? 403 GLU A CG 1 ATOM 1112 C CD . GLU A 1 145 ? 16.607 17.720 5.091 1.00 32.41 ? 403 GLU A CD 1 ATOM 1113 O OE1 . GLU A 1 145 ? 16.601 17.221 3.942 1.00 34.23 ? 403 GLU A OE1 1 ATOM 1114 O OE2 . GLU A 1 145 ? 15.599 18.234 5.611 1.00 39.09 ? 403 GLU A OE2 1 ATOM 1115 N N . TRP A 1 146 ? 18.712 14.079 7.916 1.00 19.30 ? 404 TRP A N 1 ATOM 1116 C CA . TRP A 1 146 ? 18.542 12.651 8.221 1.00 19.70 ? 404 TRP A CA 1 ATOM 1117 C C . TRP A 1 146 ? 17.111 12.196 7.949 1.00 22.06 ? 404 TRP A C 1 ATOM 1118 O O . TRP A 1 146 ? 16.157 12.981 8.092 1.00 21.64 ? 404 TRP A O 1 ATOM 1119 C CB . TRP A 1 146 ? 18.862 12.341 9.680 1.00 18.90 ? 404 TRP A CB 1 ATOM 1120 C CG . TRP A 1 146 ? 20.304 12.464 10.082 1.00 19.28 ? 404 TRP A CG 1 ATOM 1121 C CD1 . TRP A 1 146 ? 20.970 13.608 10.393 1.00 20.13 ? 404 TRP A CD1 1 ATOM 1122 C CD2 . TRP A 1 146 ? 21.248 11.393 10.243 1.00 19.10 ? 404 TRP A CD2 1 ATOM 1123 N NE1 . TRP A 1 146 ? 22.275 13.326 10.727 1.00 19.99 ? 404 TRP A NE1 1 ATOM 1124 C CE2 . TRP A 1 146 ? 22.468 11.970 10.649 1.00 18.84 ? 404 TRP A CE2 1 ATOM 1125 C CE3 . TRP A 1 146 ? 21.179 10.006 10.073 1.00 18.28 ? 404 TRP A CE3 1 ATOM 1126 C CZ2 . TRP A 1 146 ? 23.603 11.210 10.908 1.00 18.18 ? 404 TRP A CZ2 1 ATOM 1127 C CZ3 . TRP A 1 146 ? 22.318 9.242 10.338 1.00 18.32 ? 404 TRP A CZ3 1 ATOM 1128 C CH2 . TRP A 1 146 ? 23.514 9.850 10.736 1.00 18.03 ? 404 TRP A CH2 1 ATOM 1129 N N . GLU A 1 147 ? 16.980 10.917 7.586 1.00 24.10 ? 405 GLU A N 1 ATOM 1130 C CA . GLU A 1 147 ? 15.676 10.257 7.415 1.00 27.10 ? 405 GLU A CA 1 ATOM 1131 C C . GLU A 1 147 ? 15.682 8.880 8.077 1.00 28.85 ? 405 GLU A C 1 ATOM 1132 O O . GLU A 1 147 ? 16.736 8.337 8.386 1.00 27.83 ? 405 GLU A O 1 ATOM 1133 C CB . GLU A 1 147 ? 15.337 10.060 5.931 1.00 27.31 ? 405 GLU A CB 1 ATOM 1134 C CG . GLU A 1 147 ? 15.258 11.328 5.098 1.00 28.08 ? 405 GLU A CG 1 ATOM 1135 C CD . GLU A 1 147 ? 16.619 11.913 4.751 1.00 28.14 ? 405 GLU A CD 1 ATOM 1136 O OE1 . GLU A 1 147 ? 17.532 11.162 4.318 1.00 28.02 ? 405 GLU A OE1 1 ATOM 1137 O OE2 . GLU A 1 147 ? 16.771 13.139 4.931 1.00 28.32 ? 405 GLU A OE2 1 ATOM 1138 N N . SER A 1 148 ? 14.487 8.319 8.247 1.00 32.80 ? 406 SER A N 1 ATOM 1139 C CA . SER A 1 148 ? 14.292 6.965 8.781 1.00 35.60 ? 406 SER A CA 1 ATOM 1140 C C . SER A 1 148 ? 12.919 6.475 8.335 1.00 37.88 ? 406 SER A C 1 ATOM 1141 O O . SER A 1 148 ? 11.920 7.161 8.567 1.00 33.81 ? 406 SER A O 1 ATOM 1142 C CB . SER A 1 148 ? 14.349 6.988 10.308 1.00 37.26 ? 406 SER A CB 1 ATOM 1143 O OG . SER A 1 148 ? 14.168 5.699 10.868 1.00 40.26 ? 406 SER A OG 1 ATOM 1144 N N . ASN A 1 149 ? 12.874 5.316 7.673 1.00 40.68 ? 407 ASN A N 1 ATOM 1145 C CA . ASN A 1 149 ? 11.607 4.746 7.177 1.00 44.37 ? 407 ASN A CA 1 ATOM 1146 C C . ASN A 1 149 ? 10.866 5.712 6.245 1.00 44.67 ? 407 ASN A C 1 ATOM 1147 O O . ASN A 1 149 ? 9.649 5.905 6.363 1.00 44.83 ? 407 ASN A O 1 ATOM 1148 C CB . ASN A 1 149 ? 10.689 4.364 8.348 1.00 46.84 ? 407 ASN A CB 1 ATOM 1149 C CG . ASN A 1 149 ? 11.414 3.591 9.433 1.00 49.28 ? 407 ASN A CG 1 ATOM 1150 O OD1 . ASN A 1 149 ? 12.075 2.593 9.159 1.00 51.01 ? 407 ASN A OD1 1 ATOM 1151 N ND2 . ASN A 1 149 ? 11.292 4.051 10.675 1.00 54.03 ? 407 ASN A ND2 1 ATOM 1152 N N . GLY A 1 150 ? 11.618 6.352 5.356 1.00 45.23 ? 408 GLY A N 1 ATOM 1153 C CA . GLY A 1 150 ? 11.068 7.347 4.434 1.00 46.66 ? 408 GLY A CA 1 ATOM 1154 C C . GLY A 1 150 ? 10.685 8.709 5.001 1.00 48.21 ? 408 GLY A C 1 ATOM 1155 O O . GLY A 1 150 ? 10.286 9.598 4.234 1.00 50.30 ? 408 GLY A O 1 ATOM 1156 N N . GLN A 1 151 ? 10.800 8.890 6.320 1.00 47.56 ? 409 GLN A N 1 ATOM 1157 C CA . GLN A 1 151 ? 10.350 10.131 6.983 1.00 45.60 ? 409 GLN A CA 1 ATOM 1158 C C . GLN A 1 151 ? 11.524 10.961 7.477 1.00 40.20 ? 409 GLN A C 1 ATOM 1159 O O . GLN A 1 151 ? 12.537 10.402 7.867 1.00 35.92 ? 409 GLN A O 1 ATOM 1160 C CB . GLN A 1 151 ? 9.473 9.820 8.199 1.00 49.27 ? 409 GLN A CB 1 ATOM 1161 C CG . GLN A 1 151 ? 8.400 8.770 7.979 1.00 54.27 ? 409 GLN A CG 1 ATOM 1162 C CD . GLN A 1 151 ? 7.540 9.067 6.771 1.00 56.86 ? 409 GLN A CD 1 ATOM 1163 O OE1 . GLN A 1 151 ? 6.961 10.149 6.662 1.00 62.20 ? 409 GLN A OE1 1 ATOM 1164 N NE2 . GLN A 1 151 ? 7.448 8.106 5.857 1.00 62.24 ? 409 GLN A NE2 1 ATOM 1165 N N . PRO A 1 152 ? 11.371 12.297 7.506 1.00 37.01 ? 410 PRO A N 1 ATOM 1166 C CA . PRO A 1 152 ? 12.400 13.152 8.095 1.00 35.70 ? 410 PRO A CA 1 ATOM 1167 C C . PRO A 1 152 ? 12.637 12.873 9.581 1.00 35.19 ? 410 PRO A C 1 ATOM 1168 O O . PRO A 1 152 ? 11.680 12.784 10.354 1.00 33.09 ? 410 PRO A O 1 ATOM 1169 C CB . PRO A 1 152 ? 11.833 14.565 7.915 1.00 36.67 ? 410 PRO A CB 1 ATOM 1170 C CG . PRO A 1 152 ? 10.833 14.452 6.819 1.00 37.15 ? 410 PRO A CG 1 ATOM 1171 C CD . PRO A 1 152 ? 10.258 13.082 6.943 1.00 36.74 ? 410 PRO A CD 1 ATOM 1172 N N . GLU A 1 153 ? 13.908 12.719 9.949 1.00 33.13 ? 411 GLU A N 1 ATOM 1173 C CA . GLU A 1 153 ? 14.358 12.607 11.345 1.00 33.63 ? 411 GLU A CA 1 ATOM 1174 C C . GLU A 1 153 ? 14.963 13.953 11.769 1.00 35.57 ? 411 GLU A C 1 ATOM 1175 O O . GLU A 1 153 ? 16.002 14.361 11.221 1.00 35.61 ? 411 GLU A O 1 ATOM 1176 C CB . GLU A 1 153 ? 15.449 11.535 11.464 1.00 33.43 ? 411 GLU A CB 1 ATOM 1177 C CG . GLU A 1 153 ? 14.976 10.106 11.316 1.00 33.78 ? 411 GLU A CG 1 ATOM 1178 C CD . GLU A 1 153 ? 14.178 9.611 12.514 1.00 38.03 ? 411 GLU A CD 1 ATOM 1179 O OE1 . GLU A 1 153 ? 14.588 9.840 13.668 1.00 37.61 ? 411 GLU A OE1 1 ATOM 1180 O OE2 . GLU A 1 153 ? 13.119 8.975 12.304 1.00 42.67 ? 411 GLU A OE2 1 ATOM 1181 N N . ASN A 1 154 ? 14.362 14.620 12.751 1.00 33.57 ? 412 ASN A N 1 ATOM 1182 C CA . ASN A 1 154 ? 14.771 15.994 13.101 1.00 34.89 ? 412 ASN A CA 1 ATOM 1183 C C . ASN A 1 154 ? 15.633 16.218 14.375 1.00 31.75 ? 412 ASN A C 1 ATOM 1184 O O . ASN A 1 154 ? 16.124 17.336 14.574 1.00 32.01 ? 412 ASN A O 1 ATOM 1185 C CB . ASN A 1 154 ? 13.541 16.913 13.151 1.00 38.35 ? 412 ASN A CB 1 ATOM 1186 C CG . ASN A 1 154 ? 12.877 17.075 11.786 1.00 42.65 ? 412 ASN A CG 1 ATOM 1187 O OD1 . ASN A 1 154 ? 13.547 17.127 10.749 1.00 46.84 ? 412 ASN A OD1 1 ATOM 1188 N ND2 . ASN A 1 154 ? 11.554 17.155 11.781 1.00 44.47 ? 412 ASN A ND2 1 ATOM 1189 N N . ASN A 1 155 ? 15.847 15.198 15.209 1.00 26.56 ? 413 ASN A N 1 ATOM 1190 C CA . ASN A 1 155 ? 16.675 15.371 16.435 1.00 25.70 ? 413 ASN A CA 1 ATOM 1191 C C . ASN A 1 155 ? 18.190 15.214 16.177 1.00 22.16 ? 413 ASN A C 1 ATOM 1192 O O . ASN A 1 155 ? 18.878 14.369 16.781 1.00 19.68 ? 413 ASN A O 1 ATOM 1193 C CB . ASN A 1 155 ? 16.215 14.402 17.523 1.00 27.58 ? 413 ASN A CB 1 ATOM 1194 C CG . ASN A 1 155 ? 16.869 14.653 18.864 1.00 29.76 ? 413 ASN A CG 1 ATOM 1195 O OD1 . ASN A 1 155 ? 17.505 15.689 19.111 1.00 34.75 ? 413 ASN A OD1 1 ATOM 1196 N ND2 . ASN A 1 155 ? 16.730 13.687 19.744 1.00 30.83 ? 413 ASN A ND2 1 ATOM 1197 N N . TYR A 1 156 ? 18.694 16.027 15.258 1.00 19.14 ? 414 TYR A N 1 ATOM 1198 C CA . TYR A 1 156 ? 20.099 15.995 14.894 1.00 19.17 ? 414 TYR A CA 1 ATOM 1199 C C . TYR A 1 156 ? 20.701 17.397 15.000 1.00 18.40 ? 414 TYR A C 1 ATOM 1200 O O . TYR A 1 156 ? 19.978 18.396 14.977 1.00 15.68 ? 414 TYR A O 1 ATOM 1201 C CB . TYR A 1 156 ? 20.294 15.430 13.480 1.00 19.50 ? 414 TYR A CB 1 ATOM 1202 C CG . TYR A 1 156 ? 19.732 16.288 12.352 1.00 21.39 ? 414 TYR A CG 1 ATOM 1203 C CD1 . TYR A 1 156 ? 20.455 17.336 11.843 1.00 21.42 ? 414 TYR A CD1 1 ATOM 1204 C CD2 . TYR A 1 156 ? 18.472 16.027 11.781 1.00 23.02 ? 414 TYR A CD2 1 ATOM 1205 C CE1 . TYR A 1 156 ? 19.965 18.116 10.817 1.00 24.21 ? 414 TYR A CE1 1 ATOM 1206 C CE2 . TYR A 1 156 ? 17.972 16.815 10.747 1.00 23.44 ? 414 TYR A CE2 1 ATOM 1207 C CZ . TYR A 1 156 ? 18.737 17.858 10.271 1.00 24.38 ? 414 TYR A CZ 1 ATOM 1208 O OH . TYR A 1 156 ? 18.304 18.682 9.248 1.00 28.09 ? 414 TYR A OH 1 ATOM 1209 N N . LYS A 1 157 ? 22.029 17.444 15.106 1.00 18.22 ? 415 LYS A N 1 ATOM 1210 C CA . LYS A 1 157 ? 22.798 18.686 15.011 1.00 17.90 ? 415 LYS A CA 1 ATOM 1211 C C . LYS A 1 157 ? 24.022 18.413 14.147 1.00 17.60 ? 415 LYS A C 1 ATOM 1212 O O . LYS A 1 157 ? 24.606 17.324 14.211 1.00 17.82 ? 415 LYS A O 1 ATOM 1213 C CB . LYS A 1 157 ? 23.253 19.172 16.383 1.00 18.37 ? 415 LYS A CB 1 ATOM 1214 C CG . LYS A 1 157 ? 22.152 19.481 17.392 1.00 19.08 ? 415 LYS A CG 1 ATOM 1215 C CD . LYS A 1 157 ? 21.436 20.784 17.087 1.00 20.67 ? 415 LYS A CD 1 ATOM 1216 C CE . LYS A 1 157 ? 20.499 21.160 18.242 1.00 21.87 ? 415 LYS A CE 1 ATOM 1217 N NZ . LYS A 1 157 ? 19.842 22.459 17.947 1.00 23.83 ? 415 LYS A NZ 1 ATOM 1218 N N . THR A 1 158 ? 24.404 19.408 13.352 1.00 16.23 ? 416 THR A N 1 ATOM 1219 C CA . THR A 1 158 ? 25.516 19.302 12.447 1.00 16.48 ? 416 THR A CA 1 ATOM 1220 C C . THR A 1 158 ? 26.542 20.392 12.759 1.00 15.52 ? 416 THR A C 1 ATOM 1221 O O . THR A 1 158 ? 26.185 21.523 13.077 1.00 15.27 ? 416 THR A O 1 ATOM 1222 C CB . THR A 1 158 ? 25.021 19.409 10.999 1.00 16.90 ? 416 THR A CB 1 ATOM 1223 O OG1 . THR A 1 158 ? 23.968 18.452 10.802 1.00 18.11 ? 416 THR A OG1 1 ATOM 1224 C CG2 . THR A 1 158 ? 26.148 19.131 10.005 1.00 17.06 ? 416 THR A CG2 1 ATOM 1225 N N . THR A 1 159 ? 27.813 20.021 12.709 1.00 14.58 ? 417 THR A N 1 ATOM 1226 C CA . THR A 1 159 ? 28.892 20.967 12.984 1.00 14.22 ? 417 THR A CA 1 ATOM 1227 C C . THR A 1 159 ? 29.028 21.878 11.788 1.00 14.49 ? 417 THR A C 1 ATOM 1228 O O . THR A 1 159 ? 28.707 21.484 10.657 1.00 14.45 ? 417 THR A O 1 ATOM 1229 C CB . THR A 1 159 ? 30.245 20.269 13.260 1.00 14.13 ? 417 THR A CB 1 ATOM 1230 O OG1 . THR A 1 159 ? 30.784 19.716 12.049 1.00 13.90 ? 417 THR A OG1 1 ATOM 1231 C CG2 . THR A 1 159 ? 30.086 19.185 14.320 1.00 13.92 ? 417 THR A CG2 1 ATOM 1232 N N . PRO A 1 160 ? 29.518 23.100 12.012 1.00 15.41 ? 418 PRO A N 1 ATOM 1233 C CA . PRO A 1 160 ? 29.952 23.876 10.847 1.00 15.77 ? 418 PRO A CA 1 ATOM 1234 C C . PRO A 1 160 ? 31.045 23.138 10.063 1.00 15.94 ? 418 PRO A C 1 ATOM 1235 O O . PRO A 1 160 ? 31.691 22.229 10.600 1.00 15.72 ? 418 PRO A O 1 ATOM 1236 C CB . PRO A 1 160 ? 30.510 25.186 11.448 1.00 16.30 ? 418 PRO A CB 1 ATOM 1237 C CG . PRO A 1 160 ? 30.330 25.100 12.910 1.00 16.41 ? 418 PRO A CG 1 ATOM 1238 C CD . PRO A 1 160 ? 29.864 23.729 13.296 1.00 15.82 ? 418 PRO A CD 1 ATOM 1239 N N . PRO A 1 161 ? 31.254 23.522 8.800 1.00 16.30 ? 419 PRO A N 1 ATOM 1240 C CA . PRO A 1 161 ? 32.362 22.933 8.045 1.00 16.71 ? 419 PRO A CA 1 ATOM 1241 C C . PRO A 1 161 ? 33.694 23.335 8.670 1.00 16.50 ? 419 PRO A C 1 ATOM 1242 O O . PRO A 1 161 ? 33.824 24.441 9.155 1.00 16.94 ? 419 PRO A O 1 ATOM 1243 C CB . PRO A 1 161 ? 32.204 23.535 6.640 1.00 16.98 ? 419 PRO A CB 1 ATOM 1244 C CG . PRO A 1 161 ? 30.814 24.135 6.611 1.00 17.14 ? 419 PRO A CG 1 ATOM 1245 C CD . PRO A 1 161 ? 30.492 24.511 8.013 1.00 16.52 ? 419 PRO A CD 1 ATOM 1246 N N . VAL A 1 162 ? 34.658 22.424 8.684 1.00 16.35 ? 420 VAL A N 1 ATOM 1247 C CA . VAL A 1 162 ? 35.991 22.708 9.206 1.00 16.42 ? 420 VAL A CA 1 ATOM 1248 C C . VAL A 1 162 ? 36.984 22.522 8.075 1.00 16.35 ? 420 VAL A C 1 ATOM 1249 O O . VAL A 1 162 ? 36.893 21.533 7.336 1.00 15.38 ? 420 VAL A O 1 ATOM 1250 C CB . VAL A 1 162 ? 36.337 21.741 10.355 1.00 16.63 ? 420 VAL A CB 1 ATOM 1251 C CG1 . VAL A 1 162 ? 37.727 22.022 10.890 1.00 16.54 ? 420 VAL A CG1 1 ATOM 1252 C CG2 . VAL A 1 162 ? 35.317 21.876 11.461 1.00 16.76 ? 420 VAL A CG2 1 ATOM 1253 N N . LEU A 1 163 ? 37.921 23.458 7.941 1.00 16.09 ? 421 LEU A N 1 ATOM 1254 C CA . LEU A 1 163 ? 38.952 23.368 6.918 1.00 17.06 ? 421 LEU A CA 1 ATOM 1255 C C . LEU A 1 163 ? 39.949 22.268 7.303 1.00 17.51 ? 421 LEU A C 1 ATOM 1256 O O . LEU A 1 163 ? 40.494 22.261 8.424 1.00 17.28 ? 421 LEU A O 1 ATOM 1257 C CB . LEU A 1 163 ? 39.681 24.713 6.750 1.00 17.97 ? 421 LEU A CB 1 ATOM 1258 C CG . LEU A 1 163 ? 40.823 24.775 5.731 1.00 18.63 ? 421 LEU A CG 1 ATOM 1259 C CD1 . LEU A 1 163 ? 40.303 24.495 4.332 1.00 18.94 ? 421 LEU A CD1 1 ATOM 1260 C CD2 . LEU A 1 163 ? 41.490 26.151 5.790 1.00 20.56 ? 421 LEU A CD2 1 ATOM 1261 N N . ASP A 1 164 ? 40.160 21.327 6.392 1.00 17.00 ? 422 ASP A N 1 ATOM 1262 C CA . ASP A 1 164 ? 41.053 20.199 6.624 1.00 17.19 ? 422 ASP A CA 1 ATOM 1263 C C . ASP A 1 164 ? 42.454 20.529 6.103 1.00 18.33 ? 422 ASP A C 1 ATOM 1264 O O . ASP A 1 164 ? 42.655 21.549 5.446 1.00 18.00 ? 422 ASP A O 1 ATOM 1265 C CB . ASP A 1 164 ? 40.511 18.936 5.942 1.00 17.63 ? 422 ASP A CB 1 ATOM 1266 C CG . ASP A 1 164 ? 40.778 17.657 6.758 1.00 18.11 ? 422 ASP A CG 1 ATOM 1267 O OD1 . ASP A 1 164 ? 41.754 17.619 7.549 1.00 17.22 ? 422 ASP A OD1 1 ATOM 1268 O OD2 . ASP A 1 164 ? 39.996 16.682 6.602 1.00 19.43 ? 422 ASP A OD2 1 ATOM 1269 N N . SER A 1 165 ? 43.407 19.642 6.370 1.00 19.46 ? 423 SER A N 1 ATOM 1270 C CA . SER A 1 165 ? 44.820 19.893 6.073 1.00 20.79 ? 423 SER A CA 1 ATOM 1271 C C . SER A 1 165 ? 45.125 19.842 4.582 1.00 20.66 ? 423 SER A C 1 ATOM 1272 O O . SER A 1 165 ? 46.102 20.429 4.121 1.00 20.98 ? 423 SER A O 1 ATOM 1273 C CB . SER A 1 165 ? 45.694 18.912 6.870 1.00 21.97 ? 423 SER A CB 1 ATOM 1274 O OG . SER A 1 165 ? 45.374 17.560 6.536 1.00 24.28 ? 423 SER A OG 1 ATOM 1275 N N . ASP A 1 166 ? 44.259 19.184 3.812 1.00 20.29 ? 424 ASP A N 1 ATOM 1276 C CA . ASP A 1 166 ? 44.397 19.158 2.353 1.00 18.88 ? 424 ASP A CA 1 ATOM 1277 C C . ASP A 1 166 ? 43.616 20.239 1.601 1.00 17.55 ? 424 ASP A C 1 ATOM 1278 O O . ASP A 1 166 ? 43.544 20.204 0.380 1.00 17.08 ? 424 ASP A O 1 ATOM 1279 C CB . ASP A 1 166 ? 44.017 17.772 1.823 1.00 20.34 ? 424 ASP A CB 1 ATOM 1280 C CG . ASP A 1 166 ? 42.519 17.484 1.899 1.00 20.73 ? 424 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 166 ? 41.743 18.234 2.556 1.00 19.78 ? 424 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 166 ? 42.132 16.473 1.285 1.00 22.44 ? 424 ASP A OD2 1 ATOM 1283 N N . GLY A 1 167 ? 43.033 21.192 2.324 1.00 16.64 ? 425 GLY A N 1 ATOM 1284 C CA . GLY A 1 167 ? 42.326 22.302 1.697 1.00 16.81 ? 425 GLY A CA 1 ATOM 1285 C C . GLY A 1 167 ? 40.882 22.009 1.294 1.00 16.44 ? 425 GLY A C 1 ATOM 1286 O O . GLY A 1 167 ? 40.227 22.857 0.697 1.00 15.78 ? 425 GLY A O 1 ATOM 1287 N N . SER A 1 168 ? 40.406 20.803 1.583 1.00 15.64 ? 426 SER A N 1 ATOM 1288 C CA . SER A 1 168 ? 38.973 20.508 1.527 1.00 16.03 ? 426 SER A CA 1 ATOM 1289 C C . SER A 1 168 ? 38.352 20.745 2.903 1.00 15.26 ? 426 SER A C 1 ATOM 1290 O O . SER A 1 168 ? 39.047 21.064 3.876 1.00 14.22 ? 426 SER A O 1 ATOM 1291 C CB . SER A 1 168 ? 38.731 19.058 1.111 1.00 16.57 ? 426 SER A CB 1 ATOM 1292 O OG . SER A 1 168 ? 39.208 18.166 2.123 1.00 17.56 ? 426 SER A OG 1 ATOM 1293 N N . PHE A 1 169 ? 37.038 20.599 2.977 1.00 14.11 ? 427 PHE A N 1 ATOM 1294 C CA . PHE A 1 169 ? 36.338 20.708 4.244 1.00 14.31 ? 427 PHE A CA 1 ATOM 1295 C C . PHE A 1 169 ? 35.820 19.375 4.709 1.00 13.36 ? 427 PHE A C 1 ATOM 1296 O O . PHE A 1 169 ? 35.637 18.451 3.915 1.00 12.84 ? 427 PHE A O 1 ATOM 1297 C CB . PHE A 1 169 ? 35.167 21.678 4.115 1.00 14.63 ? 427 PHE A CB 1 ATOM 1298 C CG . PHE A 1 169 ? 35.586 23.097 3.920 1.00 15.73 ? 427 PHE A CG 1 ATOM 1299 C CD1 . PHE A 1 169 ? 35.809 23.919 5.013 1.00 16.22 ? 427 PHE A CD1 1 ATOM 1300 C CD2 . PHE A 1 169 ? 35.777 23.610 2.638 1.00 17.36 ? 427 PHE A CD2 1 ATOM 1301 C CE1 . PHE A 1 169 ? 36.204 25.235 4.843 1.00 17.29 ? 427 PHE A CE1 1 ATOM 1302 C CE2 . PHE A 1 169 ? 36.170 24.927 2.454 1.00 18.35 ? 427 PHE A CE2 1 ATOM 1303 C CZ . PHE A 1 169 ? 36.393 25.741 3.563 1.00 17.95 ? 427 PHE A CZ 1 ATOM 1304 N N . PHE A 1 170 ? 35.580 19.286 6.011 1.00 12.52 ? 428 PHE A N 1 ATOM 1305 C CA . PHE A 1 170 ? 34.806 18.200 6.552 1.00 12.81 ? 428 PHE A CA 1 ATOM 1306 C C . PHE A 1 170 ? 33.820 18.732 7.574 1.00 13.41 ? 428 PHE A C 1 ATOM 1307 O O . PHE A 1 170 ? 33.960 19.848 8.077 1.00 13.46 ? 428 PHE A O 1 ATOM 1308 C CB . PHE A 1 170 ? 35.725 17.137 7.176 1.00 12.84 ? 428 PHE A CB 1 ATOM 1309 C CG . PHE A 1 170 ? 36.319 17.531 8.482 1.00 12.56 ? 428 PHE A CG 1 ATOM 1310 C CD1 . PHE A 1 170 ? 37.499 18.279 8.540 1.00 12.94 ? 428 PHE A CD1 1 ATOM 1311 C CD2 . PHE A 1 170 ? 35.727 17.136 9.662 1.00 12.63 ? 428 PHE A CD2 1 ATOM 1312 C CE1 . PHE A 1 170 ? 38.062 18.617 9.770 1.00 12.70 ? 428 PHE A CE1 1 ATOM 1313 C CE2 . PHE A 1 170 ? 36.267 17.493 10.878 1.00 12.94 ? 428 PHE A CE2 1 ATOM 1314 C CZ . PHE A 1 170 ? 37.436 18.236 10.932 1.00 12.72 ? 428 PHE A CZ 1 ATOM 1315 N N . LEU A 1 171 ? 32.827 17.920 7.882 1.00 13.44 ? 429 LEU A N 1 ATOM 1316 C CA . LEU A 1 171 ? 31.985 18.155 9.030 1.00 13.60 ? 429 LEU A CA 1 ATOM 1317 C C . LEU A 1 171 ? 31.459 16.828 9.543 1.00 13.35 ? 429 LEU A C 1 ATOM 1318 O O . LEU A 1 171 ? 31.626 15.788 8.891 1.00 12.61 ? 429 LEU A O 1 ATOM 1319 C CB . LEU A 1 171 ? 30.821 19.103 8.666 1.00 14.25 ? 429 LEU A CB 1 ATOM 1320 C CG . LEU A 1 171 ? 29.826 18.783 7.556 1.00 14.33 ? 429 LEU A CG 1 ATOM 1321 C CD1 . LEU A 1 171 ? 28.977 17.559 7.880 1.00 14.80 ? 429 LEU A CD1 1 ATOM 1322 C CD2 . LEU A 1 171 ? 28.906 19.967 7.324 1.00 14.28 ? 429 LEU A CD2 1 ATOM 1323 N N . TYR A 1 172 ? 30.810 16.883 10.700 1.00 13.06 ? 430 TYR A N 1 ATOM 1324 C CA . TYR A 1 172 ? 30.068 15.760 11.226 1.00 12.92 ? 430 TYR A CA 1 ATOM 1325 C C . TYR A 1 172 ? 28.622 16.144 11.532 1.00 13.52 ? 430 TYR A C 1 ATOM 1326 O O . TYR A 1 172 ? 28.346 17.249 12.007 1.00 12.91 ? 430 TYR A O 1 ATOM 1327 C CB . TYR A 1 172 ? 30.699 15.252 12.516 1.00 13.41 ? 430 TYR A CB 1 ATOM 1328 C CG . TYR A 1 172 ? 32.009 14.497 12.398 1.00 13.07 ? 430 TYR A CG 1 ATOM 1329 C CD1 . TYR A 1 172 ? 33.219 15.173 12.371 1.00 12.80 ? 430 TYR A CD1 1 ATOM 1330 C CD2 . TYR A 1 172 ? 32.032 13.107 12.381 1.00 13.10 ? 430 TYR A CD2 1 ATOM 1331 C CE1 . TYR A 1 172 ? 34.413 14.497 12.281 1.00 13.00 ? 430 TYR A CE1 1 ATOM 1332 C CE2 . TYR A 1 172 ? 33.224 12.406 12.324 1.00 12.91 ? 430 TYR A CE2 1 ATOM 1333 C CZ . TYR A 1 172 ? 34.422 13.118 12.263 1.00 13.12 ? 430 TYR A CZ 1 ATOM 1334 O OH . TYR A 1 172 ? 35.626 12.473 12.194 1.00 12.95 ? 430 TYR A OH 1 ATOM 1335 N N . SER A 1 173 ? 27.693 15.217 11.261 1.00 13.67 ? 431 SER A N 1 ATOM 1336 C CA . SER A 1 173 ? 26.314 15.374 11.683 1.00 14.15 ? 431 SER A CA 1 ATOM 1337 C C . SER A 1 173 ? 25.996 14.264 12.689 1.00 14.10 ? 431 SER A C 1 ATOM 1338 O O . SER A 1 173 ? 26.348 13.104 12.458 1.00 15.67 ? 431 SER A O 1 ATOM 1339 C CB . SER A 1 173 ? 25.345 15.338 10.489 1.00 14.13 ? 431 SER A CB 1 ATOM 1340 O OG . SER A 1 173 ? 24.028 15.622 10.941 1.00 13.91 ? 431 SER A OG 1 ATOM 1341 N N . LYS A 1 174 ? 25.362 14.631 13.798 1.00 13.41 ? 432 LYS A N 1 ATOM 1342 C CA . LYS A 1 174 ? 25.015 13.679 14.866 1.00 13.50 ? 432 LYS A CA 1 ATOM 1343 C C . LYS A 1 174 ? 23.498 13.572 14.996 1.00 13.66 ? 432 LYS A C 1 ATOM 1344 O O . LYS A 1 174 ? 22.826 14.572 15.302 1.00 13.38 ? 432 LYS A O 1 ATOM 1345 C CB . LYS A 1 174 ? 25.622 14.116 16.201 1.00 13.17 ? 432 LYS A CB 1 ATOM 1346 C CG . LYS A 1 174 ? 25.431 13.140 17.366 1.00 13.67 ? 432 LYS A CG 1 ATOM 1347 C CD . LYS A 1 174 ? 26.305 13.485 18.569 1.00 13.73 ? 432 LYS A CD 1 ATOM 1348 C CE . LYS A 1 174 ? 25.848 14.731 19.321 1.00 13.80 ? 432 LYS A CE 1 ATOM 1349 N NZ . LYS A 1 174 ? 24.449 14.615 19.847 1.00 13.90 ? 432 LYS A NZ 1 ATOM 1350 N N . LEU A 1 175 ? 22.958 12.380 14.763 1.00 13.91 ? 433 LEU A N 1 ATOM 1351 C CA . LEU A 1 175 ? 21.512 12.113 14.983 1.00 14.50 ? 433 LEU A CA 1 ATOM 1352 C C . LEU A 1 175 ? 21.378 11.310 16.257 1.00 15.33 ? 433 LEU A C 1 ATOM 1353 O O . LEU A 1 175 ? 21.991 10.243 16.387 1.00 15.69 ? 433 LEU A O 1 ATOM 1354 C CB . LEU A 1 175 ? 20.886 11.292 13.846 1.00 15.01 ? 433 LEU A CB 1 ATOM 1355 C CG . LEU A 1 175 ? 19.432 10.836 14.063 1.00 15.35 ? 433 LEU A CG 1 ATOM 1356 C CD1 . LEU A 1 175 ? 18.490 12.014 13.974 1.00 16.45 ? 433 LEU A CD1 1 ATOM 1357 C CD2 . LEU A 1 175 ? 19.012 9.794 13.034 1.00 16.03 ? 433 LEU A CD2 1 ATOM 1358 N N . THR A 1 176 ? 20.566 11.812 17.181 1.00 15.88 ? 434 THR A N 1 ATOM 1359 C CA . THR A 1 176 ? 20.333 11.163 18.456 1.00 17.19 ? 434 THR A CA 1 ATOM 1360 C C . THR A 1 176 ? 19.030 10.376 18.345 1.00 18.45 ? 434 THR A C 1 ATOM 1361 O O . THR A 1 176 ? 18.031 10.946 17.948 1.00 18.45 ? 434 THR A O 1 ATOM 1362 C CB . THR A 1 176 ? 20.203 12.199 19.593 1.00 17.50 ? 434 THR A CB 1 ATOM 1363 O OG1 . THR A 1 176 ? 21.439 12.899 19.724 1.00 18.34 ? 434 THR A OG1 1 ATOM 1364 C CG2 . THR A 1 176 ? 19.889 11.516 20.932 1.00 18.16 ? 434 THR A CG2 1 ATOM 1365 N N . VAL A 1 177 ? 19.067 9.081 18.666 1.00 19.35 ? 435 VAL A N 1 ATOM 1366 C CA . VAL A 1 177 ? 17.885 8.218 18.605 1.00 21.69 ? 435 VAL A CA 1 ATOM 1367 C C . VAL A 1 177 ? 17.729 7.407 19.889 1.00 22.81 ? 435 VAL A C 1 ATOM 1368 O O . VAL A 1 177 ? 18.716 7.096 20.571 1.00 21.16 ? 435 VAL A O 1 ATOM 1369 C CB . VAL A 1 177 ? 17.924 7.229 17.403 1.00 21.96 ? 435 VAL A CB 1 ATOM 1370 C CG1 . VAL A 1 177 ? 18.070 7.961 16.069 1.00 23.01 ? 435 VAL A CG1 1 ATOM 1371 C CG2 . VAL A 1 177 ? 19.035 6.206 17.560 1.00 22.57 ? 435 VAL A CG2 1 ATOM 1372 N N . ASP A 1 178 ? 16.484 7.056 20.204 1.00 26.65 ? 436 ASP A N 1 ATOM 1373 C CA . ASP A 1 178 ? 16.217 6.108 21.292 1.00 28.93 ? 436 ASP A CA 1 ATOM 1374 C C . ASP A 1 178 ? 16.994 4.853 20.996 1.00 26.19 ? 436 ASP A C 1 ATOM 1375 O O . ASP A 1 178 ? 16.991 4.376 19.864 1.00 24.76 ? 436 ASP A O 1 ATOM 1376 C CB . ASP A 1 178 ? 14.728 5.767 21.392 1.00 33.84 ? 436 ASP A CB 1 ATOM 1377 C CG . ASP A 1 178 ? 13.915 6.847 22.089 1.00 38.77 ? 436 ASP A CG 1 ATOM 1378 O OD1 . ASP A 1 178 ? 14.488 7.855 22.562 1.00 42.70 ? 436 ASP A OD1 1 ATOM 1379 O OD2 . ASP A 1 178 ? 12.681 6.675 22.170 1.00 47.28 ? 436 ASP A OD2 1 ATOM 1380 N N . LYS A 1 179 ? 17.682 4.337 22.002 1.00 26.09 ? 437 LYS A N 1 ATOM 1381 C CA . LYS A 1 179 ? 18.508 3.146 21.830 1.00 27.92 ? 437 LYS A CA 1 ATOM 1382 C C . LYS A 1 179 ? 17.703 1.955 21.297 1.00 27.71 ? 437 LYS A C 1 ATOM 1383 O O . LYS A 1 179 ? 18.166 1.199 20.445 1.00 28.66 ? 437 LYS A O 1 ATOM 1384 C CB . LYS A 1 179 ? 19.164 2.779 23.159 1.00 29.46 ? 437 LYS A CB 1 ATOM 1385 C CG . LYS A 1 179 ? 20.027 1.533 23.085 1.00 31.17 ? 437 LYS A CG 1 ATOM 1386 C CD . LYS A 1 179 ? 20.824 1.318 24.363 1.00 34.34 ? 437 LYS A CD 1 ATOM 1387 C CE . LYS A 1 179 ? 19.921 1.129 25.572 1.00 36.09 ? 437 LYS A CE 1 ATOM 1388 N NZ . LYS A 1 179 ? 20.726 0.908 26.803 1.00 39.97 ? 437 LYS A NZ 1 ATOM 1389 N N . SER A 1 180 ? 16.505 1.785 21.815 1.00 28.62 ? 438 SER A N 1 ATOM 1390 C CA . SER A 1 180 ? 15.634 0.706 21.375 1.00 30.70 ? 438 SER A CA 1 ATOM 1391 C C . SER A 1 180 ? 15.315 0.831 19.879 1.00 29.84 ? 438 SER A C 1 ATOM 1392 O O . SER A 1 180 ? 15.328 -0.164 19.168 1.00 30.14 ? 438 SER A O 1 ATOM 1393 C CB . SER A 1 180 ? 14.355 0.688 22.217 1.00 30.84 ? 438 SER A CB 1 ATOM 1394 O OG . SER A 1 180 ? 13.599 1.861 22.005 1.00 32.91 ? 438 SER A OG 1 ATOM 1395 N N . ARG A 1 181 ? 15.067 2.058 19.413 1.00 30.48 ? 439 ARG A N 1 ATOM 1396 C CA . ARG A 1 181 ? 14.856 2.344 17.975 1.00 31.49 ? 439 ARG A CA 1 ATOM 1397 C C . ARG A 1 181 ? 16.071 1.868 17.131 1.00 30.25 ? 439 ARG A C 1 ATOM 1398 O O . ARG A 1 181 ? 15.916 1.322 16.031 1.00 31.88 ? 439 ARG A O 1 ATOM 1399 C CB . ARG A 1 181 ? 14.515 3.846 17.782 1.00 34.95 ? 439 ARG A CB 1 ATOM 1400 C CG . ARG A 1 181 ? 14.028 4.267 16.394 1.00 39.31 ? 439 ARG A CG 1 ATOM 1401 C CD . ARG A 1 181 ? 13.186 5.567 16.344 1.00 40.42 ? 439 ARG A CD 1 ATOM 1402 N NE . ARG A 1 181 ? 13.910 6.866 16.432 1.00 40.78 ? 439 ARG A NE 1 ATOM 1403 C CZ . ARG A 1 181 ? 13.608 7.975 15.729 1.00 39.95 ? 439 ARG A CZ 1 ATOM 1404 N NH1 . ARG A 1 181 ? 12.628 7.958 14.828 1.00 40.49 ? 439 ARG A NH1 1 ATOM 1405 N NH2 . ARG A 1 181 ? 14.289 9.122 15.902 1.00 32.54 ? 439 ARG A NH2 1 ATOM 1406 N N . TRP A 1 182 ? 17.272 2.010 17.676 1.00 28.82 ? 440 TRP A N 1 ATOM 1407 C CA . TRP A 1 182 ? 18.481 1.507 17.026 1.00 27.93 ? 440 TRP A CA 1 ATOM 1408 C C . TRP A 1 182 ? 18.567 -0.029 17.072 1.00 29.48 ? 440 TRP A C 1 ATOM 1409 O O . TRP A 1 182 ? 18.825 -0.681 16.058 1.00 28.33 ? 440 TRP A O 1 ATOM 1410 C CB . TRP A 1 182 ? 19.724 2.131 17.672 1.00 25.82 ? 440 TRP A CB 1 ATOM 1411 C CG . TRP A 1 182 ? 21.022 1.561 17.194 1.00 24.93 ? 440 TRP A CG 1 ATOM 1412 C CD1 . TRP A 1 182 ? 21.890 0.799 17.920 1.00 24.98 ? 440 TRP A CD1 1 ATOM 1413 C CD2 . TRP A 1 182 ? 21.611 1.710 15.897 1.00 23.89 ? 440 TRP A CD2 1 ATOM 1414 N NE1 . TRP A 1 182 ? 22.972 0.465 17.162 1.00 24.62 ? 440 TRP A NE1 1 ATOM 1415 C CE2 . TRP A 1 182 ? 22.831 1.011 15.914 1.00 23.88 ? 440 TRP A CE2 1 ATOM 1416 C CE3 . TRP A 1 182 ? 21.223 2.364 14.719 1.00 23.81 ? 440 TRP A CE3 1 ATOM 1417 C CZ2 . TRP A 1 182 ? 23.672 0.941 14.796 1.00 23.64 ? 440 TRP A CZ2 1 ATOM 1418 C CZ3 . TRP A 1 182 ? 22.045 2.295 13.623 1.00 22.74 ? 440 TRP A CZ3 1 ATOM 1419 C CH2 . TRP A 1 182 ? 23.264 1.597 13.667 1.00 23.62 ? 440 TRP A CH2 1 ATOM 1420 N N . GLN A 1 183 ? 18.371 -0.591 18.256 1.00 31.76 ? 441 GLN A N 1 ATOM 1421 C CA . GLN A 1 183 ? 18.449 -2.049 18.446 1.00 34.27 ? 441 GLN A CA 1 ATOM 1422 C C . GLN A 1 183 ? 17.419 -2.826 17.608 1.00 34.00 ? 441 GLN A C 1 ATOM 1423 O O . GLN A 1 183 ? 17.718 -3.904 17.128 1.00 36.91 ? 441 GLN A O 1 ATOM 1424 C CB . GLN A 1 183 ? 18.315 -2.405 19.935 1.00 35.73 ? 441 GLN A CB 1 ATOM 1425 C CG . GLN A 1 183 ? 19.487 -1.918 20.781 1.00 37.68 ? 441 GLN A CG 1 ATOM 1426 C CD . GLN A 1 183 ? 19.332 -2.241 22.263 1.00 39.71 ? 441 GLN A CD 1 ATOM 1427 O OE1 . GLN A 1 183 ? 18.421 -1.741 22.940 1.00 40.74 ? 441 GLN A OE1 1 ATOM 1428 N NE2 . GLN A 1 183 ? 20.227 -3.072 22.776 1.00 39.99 ? 441 GLN A NE2 1 ATOM 1429 N N . GLN A 1 184 ? 16.231 -2.263 17.406 1.00 36.18 ? 442 GLN A N 1 ATOM 1430 C CA . GLN A 1 184 ? 15.199 -2.870 16.544 1.00 37.10 ? 442 GLN A CA 1 ATOM 1431 C C . GLN A 1 184 ? 15.522 -2.925 15.037 1.00 36.35 ? 442 GLN A C 1 ATOM 1432 O O . GLN A 1 184 ? 14.668 -3.315 14.235 1.00 37.26 ? 442 GLN A O 1 ATOM 1433 C CB . GLN A 1 184 ? 13.883 -2.111 16.684 1.00 38.83 ? 442 GLN A CB 1 ATOM 1434 C CG . GLN A 1 184 ? 13.154 -2.256 18.006 1.00 42.14 ? 442 GLN A CG 1 ATOM 1435 C CD . GLN A 1 184 ? 12.016 -1.243 18.118 1.00 44.95 ? 442 GLN A CD 1 ATOM 1436 O OE1 . GLN A 1 184 ? 11.570 -0.672 17.109 1.00 48.02 ? 442 GLN A OE1 1 ATOM 1437 N NE2 . GLN A 1 184 ? 11.556 -0.998 19.342 1.00 46.90 ? 442 GLN A NE2 1 ATOM 1438 N N . GLY A 1 185 ? 16.720 -2.521 14.633 1.00 33.25 ? 443 GLY A N 1 ATOM 1439 C CA . GLY A 1 185 ? 17.111 -2.641 13.229 1.00 32.40 ? 443 GLY A CA 1 ATOM 1440 C C . GLY A 1 185 ? 16.477 -1.629 12.283 1.00 30.03 ? 443 GLY A C 1 ATOM 1441 O O . GLY A 1 185 ? 16.501 -1.815 11.067 1.00 29.48 ? 443 GLY A O 1 ATOM 1442 N N . ASN A 1 186 ? 15.922 -0.547 12.820 1.00 28.88 ? 444 ASN A N 1 ATOM 1443 C CA . ASN A 1 186 ? 15.422 0.521 11.967 1.00 28.94 ? 444 ASN A CA 1 ATOM 1444 C C . ASN A 1 186 ? 16.578 1.074 11.121 1.00 27.67 ? 444 ASN A C 1 ATOM 1445 O O . ASN A 1 186 ? 17.739 1.079 11.562 1.00 27.01 ? 444 ASN A O 1 ATOM 1446 C CB . ASN A 1 186 ? 14.743 1.619 12.782 1.00 28.94 ? 444 ASN A CB 1 ATOM 1447 C CG . ASN A 1 186 ? 13.501 1.118 13.514 1.00 30.91 ? 444 ASN A CG 1 ATOM 1448 O OD1 . ASN A 1 186 ? 13.597 0.577 14.600 1.00 33.07 ? 444 ASN A OD1 1 ATOM 1449 N ND2 . ASN A 1 186 ? 12.339 1.299 12.918 1.00 32.50 ? 444 ASN A ND2 1 ATOM 1450 N N . VAL A 1 187 ? 16.265 1.497 9.903 1.00 27.37 ? 445 VAL A N 1 ATOM 1451 C CA . VAL A 1 187 ? 17.286 1.996 8.976 1.00 28.44 ? 445 VAL A CA 1 ATOM 1452 C C . VAL A 1 187 ? 17.272 3.518 8.977 1.00 26.18 ? 445 VAL A C 1 ATOM 1453 O O . VAL A 1 187 ? 16.236 4.133 8.773 1.00 26.31 ? 445 VAL A O 1 ATOM 1454 C CB . VAL A 1 187 ? 17.082 1.467 7.542 1.00 30.52 ? 445 VAL A CB 1 ATOM 1455 C CG1 . VAL A 1 187 ? 18.064 2.132 6.578 1.00 30.97 ? 445 VAL A CG1 1 ATOM 1456 C CG2 . VAL A 1 187 ? 17.267 -0.047 7.503 1.00 30.71 ? 445 VAL A CG2 1 ATOM 1457 N N . PHE A 1 188 ? 18.427 4.117 9.238 1.00 24.91 ? 446 PHE A N 1 ATOM 1458 C CA . PHE A 1 188 ? 18.549 5.580 9.256 1.00 23.49 ? 446 PHE A CA 1 ATOM 1459 C C . PHE A 1 188 ? 19.366 6.034 8.074 1.00 22.33 ? 446 PHE A C 1 ATOM 1460 O O . PHE A 1 188 ? 20.263 5.327 7.646 1.00 21.85 ? 446 PHE A O 1 ATOM 1461 C CB . PHE A 1 188 ? 19.215 6.014 10.555 1.00 22.63 ? 446 PHE A CB 1 ATOM 1462 C CG . PHE A 1 188 ? 18.385 5.722 11.737 1.00 23.27 ? 446 PHE A CG 1 ATOM 1463 C CD1 . PHE A 1 188 ? 17.399 6.606 12.125 1.00 22.73 ? 446 PHE A CD1 1 ATOM 1464 C CD2 . PHE A 1 188 ? 18.517 4.515 12.406 1.00 23.47 ? 446 PHE A CD2 1 ATOM 1465 C CE1 . PHE A 1 188 ? 16.587 6.311 13.190 1.00 23.03 ? 446 PHE A CE1 1 ATOM 1466 C CE2 . PHE A 1 188 ? 17.702 4.222 13.471 1.00 23.78 ? 446 PHE A CE2 1 ATOM 1467 C CZ . PHE A 1 188 ? 16.738 5.125 13.861 1.00 22.73 ? 446 PHE A CZ 1 ATOM 1468 N N . SER A 1 189 ? 19.074 7.207 7.538 1.00 23.26 ? 447 SER A N 1 ATOM 1469 C CA . SER A 1 189 ? 19.942 7.734 6.487 1.00 23.55 ? 447 SER A CA 1 ATOM 1470 C C . SER A 1 189 ? 20.321 9.199 6.622 1.00 21.37 ? 447 SER A C 1 ATOM 1471 O O . SER A 1 189 ? 19.557 10.035 7.093 1.00 20.34 ? 447 SER A O 1 ATOM 1472 C CB . SER A 1 189 ? 19.418 7.422 5.083 1.00 26.46 ? 447 SER A CB 1 ATOM 1473 O OG . SER A 1 189 ? 18.028 7.354 5.043 1.00 28.77 ? 447 SER A OG 1 ATOM 1474 N N . CYS A 1 190 ? 21.553 9.452 6.208 1.00 20.32 ? 448 CYS A N 1 ATOM 1475 C CA . CYS A 1 190 ? 22.162 10.757 6.209 1.00 20.69 ? 448 CYS A CA 1 ATOM 1476 C C . CYS A 1 190 ? 22.079 11.237 4.777 1.00 19.76 ? 448 CYS A C 1 ATOM 1477 O O . CYS A 1 190 ? 22.598 10.575 3.892 1.00 20.42 ? 448 CYS A O 1 ATOM 1478 C CB . CYS A 1 190 ? 23.632 10.596 6.627 1.00 22.62 ? 448 CYS A CB 1 ATOM 1479 S SG . CYS A 1 190 ? 24.544 12.131 6.534 1.00 26.41 ? 448 CYS A SG 1 ATOM 1480 N N . SER A 1 191 ? 21.371 12.336 4.540 1.00 19.54 ? 449 SER A N 1 ATOM 1481 C CA . SER A 1 191 ? 21.275 12.930 3.216 1.00 19.71 ? 449 SER A CA 1 ATOM 1482 C C . SER A 1 191 ? 22.163 14.176 3.094 1.00 18.94 ? 449 SER A C 1 ATOM 1483 O O . SER A 1 191 ? 22.109 15.054 3.945 1.00 20.08 ? 449 SER A O 1 ATOM 1484 C CB . SER A 1 191 ? 19.826 13.275 2.917 1.00 20.40 ? 449 SER A CB 1 ATOM 1485 O OG . SER A 1 191 ? 19.098 12.072 2.709 1.00 22.77 ? 449 SER A OG 1 ATOM 1486 N N . VAL A 1 192 ? 22.952 14.241 2.029 1.00 17.95 ? 450 VAL A N 1 ATOM 1487 C CA . VAL A 1 192 ? 23.892 15.326 1.803 1.00 18.35 ? 450 VAL A CA 1 ATOM 1488 C C . VAL A 1 192 ? 23.653 15.988 0.428 1.00 19.07 ? 450 VAL A C 1 ATOM 1489 O O . VAL A 1 192 ? 23.449 15.311 -0.591 1.00 18.30 ? 450 VAL A O 1 ATOM 1490 C CB . VAL A 1 192 ? 25.321 14.805 1.859 1.00 18.19 ? 450 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 192 ? 26.333 15.915 1.595 1.00 18.44 ? 450 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 192 ? 25.586 14.131 3.198 1.00 18.47 ? 450 VAL A CG2 1 ATOM 1493 N N . MET A 1 193 ? 23.663 17.314 0.426 1.00 19.47 ? 451 MET A N 1 ATOM 1494 C CA . MET A 1 193 ? 23.487 18.081 -0.787 1.00 20.60 ? 451 MET A CA 1 ATOM 1495 C C . MET A 1 193 ? 24.688 18.982 -0.947 1.00 18.42 ? 451 MET A C 1 ATOM 1496 O O . MET A 1 193 ? 25.065 19.694 -0.031 1.00 17.39 ? 451 MET A O 1 ATOM 1497 C CB . MET A 1 193 ? 22.211 18.904 -0.709 1.00 24.67 ? 451 MET A CB 1 ATOM 1498 C CG . MET A 1 193 ? 20.983 18.048 -0.450 1.00 30.05 ? 451 MET A CG 1 ATOM 1499 S SD . MET A 1 193 ? 19.588 19.098 -0.035 1.00 42.89 ? 451 MET A SD 1 ATOM 1500 C CE . MET A 1 193 ? 19.022 19.397 -1.697 1.00 40.30 ? 451 MET A CE 1 ATOM 1501 N N . HIS A 1 194 ? 25.285 18.925 -2.121 1.00 18.02 ? 452 HIS A N 1 ATOM 1502 C CA . HIS A 1 194 ? 26.503 19.663 -2.428 1.00 17.67 ? 452 HIS A CA 1 ATOM 1503 C C . HIS A 1 194 ? 26.633 19.723 -3.933 1.00 17.80 ? 452 HIS A C 1 ATOM 1504 O O . HIS A 1 194 ? 26.168 18.824 -4.624 1.00 16.94 ? 452 HIS A O 1 ATOM 1505 C CB . HIS A 1 194 ? 27.714 18.965 -1.803 1.00 16.63 ? 452 HIS A CB 1 ATOM 1506 C CG . HIS A 1 194 ? 28.987 19.738 -1.922 1.00 16.23 ? 452 HIS A CG 1 ATOM 1507 N ND1 . HIS A 1 194 ? 29.848 19.578 -2.983 1.00 15.76 ? 452 HIS A ND1 1 ATOM 1508 C CD2 . HIS A 1 194 ? 29.561 20.659 -1.109 1.00 15.81 ? 452 HIS A CD2 1 ATOM 1509 C CE1 . HIS A 1 194 ? 30.903 20.359 -2.820 1.00 15.79 ? 452 HIS A CE1 1 ATOM 1510 N NE2 . HIS A 1 194 ? 30.756 21.025 -1.690 1.00 15.60 ? 452 HIS A NE2 1 ATOM 1511 N N . GLU A 1 195 ? 27.275 20.772 -4.443 1.00 18.88 ? 453 GLU A N 1 ATOM 1512 C CA . GLU A 1 195 ? 27.354 20.984 -5.888 1.00 19.85 ? 453 GLU A CA 1 ATOM 1513 C C . GLU A 1 195 ? 28.118 19.888 -6.637 1.00 20.05 ? 453 GLU A C 1 ATOM 1514 O O . GLU A 1 195 ? 27.837 19.604 -7.783 1.00 21.02 ? 453 GLU A O 1 ATOM 1515 C CB . GLU A 1 195 ? 27.956 22.364 -6.215 1.00 22.01 ? 453 GLU A CB 1 ATOM 1516 C CG . GLU A 1 195 ? 29.388 22.585 -5.758 1.00 22.53 ? 453 GLU A CG 1 ATOM 1517 C CD . GLU A 1 195 ? 30.054 23.701 -6.531 1.00 25.38 ? 453 GLU A CD 1 ATOM 1518 O OE1 . GLU A 1 195 ? 30.111 24.833 -6.021 1.00 24.87 ? 453 GLU A OE1 1 ATOM 1519 O OE2 . GLU A 1 195 ? 30.488 23.456 -7.676 1.00 29.66 ? 453 GLU A OE2 1 ATOM 1520 N N . ALA A 1 196 ? 29.102 19.284 -5.998 1.00 19.83 ? 454 ALA A N 1 ATOM 1521 C CA . ALA A 1 196 ? 29.925 18.267 -6.664 1.00 20.52 ? 454 ALA A CA 1 ATOM 1522 C C . ALA A 1 196 ? 29.360 16.840 -6.554 1.00 21.37 ? 454 ALA A C 1 ATOM 1523 O O . ALA A 1 196 ? 30.011 15.892 -6.971 1.00 23.83 ? 454 ALA A O 1 ATOM 1524 C CB . ALA A 1 196 ? 31.343 18.322 -6.142 1.00 20.07 ? 454 ALA A CB 1 ATOM 1525 N N . LEU A 1 197 ? 28.164 16.690 -5.995 1.00 20.58 ? 455 LEU A N 1 ATOM 1526 C CA . LEU A 1 197 ? 27.458 15.402 -6.020 1.00 21.07 ? 455 LEU A CA 1 ATOM 1527 C C . LEU A 1 197 ? 26.597 15.285 -7.261 1.00 22.52 ? 455 LEU A C 1 ATOM 1528 O O . LEU A 1 197 ? 26.024 16.277 -7.723 1.00 21.82 ? 455 LEU A O 1 ATOM 1529 C CB . LEU A 1 197 ? 26.557 15.245 -4.791 1.00 19.68 ? 455 LEU A CB 1 ATOM 1530 C CG . LEU A 1 197 ? 27.289 15.102 -3.461 1.00 19.03 ? 455 LEU A CG 1 ATOM 1531 C CD1 . LEU A 1 197 ? 26.322 15.223 -2.287 1.00 18.81 ? 455 LEU A CD1 1 ATOM 1532 C CD2 . LEU A 1 197 ? 28.025 13.779 -3.419 1.00 18.42 ? 455 LEU A CD2 1 ATOM 1533 N N . HIS A 1 198 ? 26.505 14.061 -7.777 1.00 24.85 ? 456 HIS A N 1 ATOM 1534 C CA . HIS A 1 198 ? 25.556 13.717 -8.840 1.00 24.68 ? 456 HIS A CA 1 ATOM 1535 C C . HIS A 1 198 ? 24.165 14.131 -8.421 1.00 25.16 ? 456 HIS A C 1 ATOM 1536 O O . HIS A 1 198 ? 23.694 13.787 -7.326 1.00 26.01 ? 456 HIS A O 1 ATOM 1537 C CB . HIS A 1 198 ? 25.593 12.213 -9.138 1.00 25.87 ? 456 HIS A CB 1 ATOM 1538 N N . ASN A 1 199 ? 23.515 14.916 -9.283 1.00 24.79 ? 457 ASN A N 1 ATOM 1539 C CA . ASN A 1 199 ? 22.241 15.542 -8.962 1.00 24.66 ? 457 ASN A CA 1 ATOM 1540 C C . ASN A 1 199 ? 22.214 16.337 -7.672 1.00 23.36 ? 457 ASN A C 1 ATOM 1541 O O . ASN A 1 199 ? 21.150 16.527 -7.090 1.00 20.74 ? 457 ASN A O 1 ATOM 1542 C CB . ASN A 1 199 ? 21.118 14.519 -8.959 1.00 29.56 ? 457 ASN A CB 1 ATOM 1543 C CG . ASN A 1 199 ? 20.203 14.698 -10.144 1.00 34.89 ? 457 ASN A CG 1 ATOM 1544 O OD1 . ASN A 1 199 ? 19.329 15.582 -10.148 1.00 39.04 ? 457 ASN A OD1 1 ATOM 1545 N ND2 . ASN A 1 199 ? 20.433 13.906 -11.184 1.00 37.17 ? 457 ASN A ND2 1 ATOM 1546 N N . HIS A 1 200 ? 23.391 16.818 -7.252 1.00 22.12 ? 458 HIS A N 1 ATOM 1547 C CA . HIS A 1 200 ? 23.544 17.621 -6.053 1.00 21.44 ? 458 HIS A CA 1 ATOM 1548 C C . HIS A 1 200 ? 23.073 16.918 -4.783 1.00 20.72 ? 458 HIS A C 1 ATOM 1549 O O . HIS A 1 200 ? 22.728 17.567 -3.816 1.00 20.51 ? 458 HIS A O 1 ATOM 1550 C CB . HIS A 1 200 ? 22.801 18.961 -6.215 1.00 21.94 ? 458 HIS A CB 1 ATOM 1551 C CG . HIS A 1 200 ? 23.371 19.837 -7.285 1.00 22.87 ? 458 HIS A CG 1 ATOM 1552 N ND1 . HIS A 1 200 ? 22.705 20.937 -7.779 1.00 23.39 ? 458 HIS A ND1 1 ATOM 1553 C CD2 . HIS A 1 200 ? 24.545 19.772 -7.960 1.00 22.59 ? 458 HIS A CD2 1 ATOM 1554 C CE1 . HIS A 1 200 ? 23.458 21.531 -8.690 1.00 23.03 ? 458 HIS A CE1 1 ATOM 1555 N NE2 . HIS A 1 200 ? 24.573 20.835 -8.827 1.00 22.94 ? 458 HIS A NE2 1 ATOM 1556 N N . TYR A 1 201 ? 23.076 15.591 -4.796 1.00 21.34 ? 459 TYR A N 1 ATOM 1557 C CA . TYR A 1 201 ? 22.465 14.818 -3.727 1.00 22.32 ? 459 TYR A CA 1 ATOM 1558 C C . TYR A 1 201 ? 23.090 13.436 -3.591 1.00 22.23 ? 459 TYR A C 1 ATOM 1559 O O . TYR A 1 201 ? 23.416 12.796 -4.583 1.00 21.91 ? 459 TYR A O 1 ATOM 1560 C CB . TYR A 1 201 ? 20.956 14.684 -3.990 1.00 24.52 ? 459 TYR A CB 1 ATOM 1561 C CG . TYR A 1 201 ? 20.228 13.903 -2.943 1.00 25.30 ? 459 TYR A CG 1 ATOM 1562 C CD1 . TYR A 1 201 ? 19.736 14.525 -1.800 1.00 27.09 ? 459 TYR A CD1 1 ATOM 1563 C CD2 . TYR A 1 201 ? 20.020 12.537 -3.097 1.00 27.59 ? 459 TYR A CD2 1 ATOM 1564 C CE1 . TYR A 1 201 ? 19.056 13.803 -0.825 1.00 27.98 ? 459 TYR A CE1 1 ATOM 1565 C CE2 . TYR A 1 201 ? 19.344 11.805 -2.137 1.00 29.29 ? 459 TYR A CE2 1 ATOM 1566 C CZ . TYR A 1 201 ? 18.871 12.441 -1.002 1.00 29.17 ? 459 TYR A CZ 1 ATOM 1567 O OH . TYR A 1 201 ? 18.212 11.701 -0.060 1.00 30.49 ? 459 TYR A OH 1 ATOM 1568 N N . THR A 1 202 ? 23.258 12.992 -2.345 1.00 21.71 ? 460 THR A N 1 ATOM 1569 C CA . THR A 1 202 ? 23.549 11.606 -2.044 1.00 22.12 ? 460 THR A CA 1 ATOM 1570 C C . THR A 1 202 ? 22.930 11.236 -0.683 1.00 23.66 ? 460 THR A C 1 ATOM 1571 O O . THR A 1 202 ? 22.621 12.104 0.134 1.00 22.58 ? 460 THR A O 1 ATOM 1572 C CB . THR A 1 202 ? 25.074 11.312 -2.095 1.00 23.13 ? 460 THR A CB 1 ATOM 1573 O OG1 . THR A 1 202 ? 25.285 9.907 -2.255 1.00 22.95 ? 460 THR A OG1 1 ATOM 1574 C CG2 . THR A 1 202 ? 25.812 11.796 -0.820 1.00 22.91 ? 460 THR A CG2 1 ATOM 1575 N N . GLN A 1 203 ? 22.708 9.948 -0.454 1.00 26.13 ? 461 GLN A N 1 ATOM 1576 C CA . GLN A 1 203 ? 22.320 9.474 0.874 1.00 27.41 ? 461 GLN A CA 1 ATOM 1577 C C . GLN A 1 203 ? 23.032 8.170 1.179 1.00 26.51 ? 461 GLN A C 1 ATOM 1578 O O . GLN A 1 203 ? 23.305 7.367 0.280 1.00 25.18 ? 461 GLN A O 1 ATOM 1579 C CB . GLN A 1 203 ? 20.799 9.338 1.018 1.00 31.12 ? 461 GLN A CB 1 ATOM 1580 C CG . GLN A 1 203 ? 20.175 8.191 0.249 1.00 34.83 ? 461 GLN A CG 1 ATOM 1581 C CD . GLN A 1 203 ? 18.653 8.169 0.357 1.00 39.62 ? 461 GLN A CD 1 ATOM 1582 O OE1 . GLN A 1 203 ? 17.966 9.071 -0.132 1.00 42.77 ? 461 GLN A OE1 1 ATOM 1583 N NE2 . GLN A 1 203 ? 18.117 7.129 0.990 1.00 42.53 ? 461 GLN A NE2 1 ATOM 1584 N N . LYS A 1 204 ? 23.368 7.992 2.450 1.00 24.74 ? 462 LYS A N 1 ATOM 1585 C CA . LYS A 1 204 ? 24.062 6.808 2.926 1.00 24.68 ? 462 LYS A CA 1 ATOM 1586 C C . LYS A 1 204 ? 23.274 6.284 4.115 1.00 24.71 ? 462 LYS A C 1 ATOM 1587 O O . LYS A 1 204 ? 22.793 7.064 4.956 1.00 24.90 ? 462 LYS A O 1 ATOM 1588 C CB . LYS A 1 204 ? 25.490 7.138 3.361 1.00 24.90 ? 462 LYS A CB 1 ATOM 1589 C CG . LYS A 1 204 ? 26.376 7.720 2.277 1.00 26.92 ? 462 LYS A CG 1 ATOM 1590 C CD . LYS A 1 204 ? 26.682 6.742 1.153 1.00 28.35 ? 462 LYS A CD 1 ATOM 1591 C CE . LYS A 1 204 ? 27.356 7.474 0.000 1.00 30.32 ? 462 LYS A CE 1 ATOM 1592 N NZ . LYS A 1 204 ? 27.905 6.530 -1.018 1.00 31.68 ? 462 LYS A NZ 1 ATOM 1593 N N . SER A 1 205 ? 23.129 4.972 4.183 1.00 24.01 ? 463 SER A N 1 ATOM 1594 C CA . SER A 1 205 ? 22.318 4.365 5.243 1.00 27.03 ? 463 SER A CA 1 ATOM 1595 C C . SER A 1 205 ? 23.147 3.785 6.376 1.00 25.22 ? 463 SER A C 1 ATOM 1596 O O . SER A 1 205 ? 24.335 3.544 6.231 1.00 25.76 ? 463 SER A O 1 ATOM 1597 C CB . SER A 1 205 ? 21.389 3.306 4.661 1.00 28.16 ? 463 SER A CB 1 ATOM 1598 O OG . SER A 1 205 ? 20.317 3.971 4.028 1.00 31.28 ? 463 SER A OG 1 ATOM 1599 N N . LEU A 1 206 ? 22.486 3.580 7.505 1.00 24.59 ? 464 LEU A N 1 ATOM 1600 C CA . LEU A 1 206 ? 23.122 3.088 8.723 1.00 26.24 ? 464 LEU A CA 1 ATOM 1601 C C . LEU A 1 206 ? 22.050 2.300 9.482 1.00 25.28 ? 464 LEU A C 1 ATOM 1602 O O . LEU A 1 206 ? 20.944 2.793 9.683 1.00 22.29 ? 464 LEU A O 1 ATOM 1603 C CB . LEU A 1 206 ? 23.642 4.280 9.573 1.00 26.76 ? 464 LEU A CB 1 ATOM 1604 C CG . LEU A 1 206 ? 24.350 4.060 10.917 1.00 27.50 ? 464 LEU A CG 1 ATOM 1605 C CD1 . LEU A 1 206 ? 25.653 3.291 10.798 1.00 27.16 ? 464 LEU A CD1 1 ATOM 1606 C CD2 . LEU A 1 206 ? 24.637 5.398 11.571 1.00 28.83 ? 464 LEU A CD2 1 ATOM 1607 N N . SER A 1 207 ? 22.364 1.067 9.862 1.00 26.51 ? 465 SER A N 1 ATOM 1608 C CA . SER A 1 207 ? 21.490 0.310 10.757 1.00 26.34 ? 465 SER A CA 1 ATOM 1609 C C . SER A 1 207 ? 22.288 -0.782 11.451 1.00 26.56 ? 465 SER A C 1 ATOM 1610 O O . SER A 1 207 ? 23.382 -1.133 11.013 1.00 25.58 ? 465 SER A O 1 ATOM 1611 C CB . SER A 1 207 ? 20.298 -0.278 9.994 1.00 26.12 ? 465 SER A CB 1 ATOM 1612 O OG . SER A 1 207 ? 20.684 -1.384 9.235 1.00 26.64 ? 465 SER A OG 1 ATOM 1613 N N . LEU A 1 208 ? 21.745 -1.292 12.552 1.00 28.84 ? 466 LEU A N 1 ATOM 1614 C CA . LEU A 1 208 ? 22.342 -2.429 13.256 1.00 31.01 ? 466 LEU A CA 1 ATOM 1615 C C . LEU A 1 208 ? 22.026 -3.740 12.516 1.00 31.47 ? 466 LEU A C 1 ATOM 1616 O O . LEU A 1 208 ? 22.937 -4.391 12.001 1.00 33.49 ? 466 LEU A O 1 ATOM 1617 C CB . LEU A 1 208 ? 21.813 -2.488 14.687 1.00 31.38 ? 466 LEU A CB 1 ATOM 1618 C CG . LEU A 1 208 ? 22.442 -3.491 15.660 1.00 32.47 ? 466 LEU A CG 1 ATOM 1619 C CD1 . LEU A 1 208 ? 23.897 -3.165 15.910 1.00 32.46 ? 466 LEU A CD1 1 ATOM 1620 C CD2 . LEU A 1 208 ? 21.683 -3.480 16.979 1.00 32.89 ? 466 LEU A CD2 1 HETATM 1621 C C1 . NAG B 2 . ? 20.706 51.096 14.592 1.00 42.55 ? 501 NAG A C1 1 HETATM 1622 C C2 . NAG B 2 . ? 22.204 50.828 14.666 1.00 42.01 ? 501 NAG A C2 1 HETATM 1623 C C3 . NAG B 2 . ? 22.662 49.818 13.618 1.00 41.20 ? 501 NAG A C3 1 HETATM 1624 C C4 . NAG B 2 . ? 21.855 48.533 13.765 1.00 41.30 ? 501 NAG A C4 1 HETATM 1625 C C5 . NAG B 2 . ? 20.364 48.853 13.886 1.00 42.20 ? 501 NAG A C5 1 HETATM 1626 C C6 . NAG B 2 . ? 19.539 47.623 14.257 1.00 44.00 ? 501 NAG A C6 1 HETATM 1627 C C7 . NAG B 2 . ? 23.789 52.563 15.445 1.00 47.70 ? 501 NAG A C7 1 HETATM 1628 C C8 . NAG B 2 . ? 24.152 51.811 16.704 1.00 47.41 ? 501 NAG A C8 1 HETATM 1629 N N2 . NAG B 2 . ? 22.912 52.085 14.548 1.00 44.27 ? 501 NAG A N2 1 HETATM 1630 O O3 . NAG B 2 . ? 24.049 49.537 13.717 1.00 38.57 ? 501 NAG A O3 1 HETATM 1631 O O4 . NAG B 2 . ? 22.037 47.721 12.612 1.00 40.35 ? 501 NAG A O4 1 HETATM 1632 O O5 . NAG B 2 . ? 20.082 49.858 14.836 1.00 41.59 ? 501 NAG A O5 1 HETATM 1633 O O6 . NAG B 2 . ? 19.854 47.214 15.569 1.00 45.38 ? 501 NAG A O6 1 HETATM 1634 O O7 . NAG B 2 . ? 24.336 53.642 15.246 1.00 50.61 ? 501 NAG A O7 1 HETATM 1635 C C1 . NAG C 2 . ? 23.116 46.768 12.713 1.00 39.09 ? 502 NAG A C1 1 HETATM 1636 C C2 . NAG C 2 . ? 22.774 45.512 11.903 1.00 39.55 ? 502 NAG A C2 1 HETATM 1637 C C3 . NAG C 2 . ? 23.944 44.517 11.822 1.00 38.62 ? 502 NAG A C3 1 HETATM 1638 C C4 . NAG C 2 . ? 25.262 45.211 11.475 1.00 38.60 ? 502 NAG A C4 1 HETATM 1639 C C5 . NAG C 2 . ? 25.423 46.466 12.340 1.00 38.56 ? 502 NAG A C5 1 HETATM 1640 C C6 . NAG C 2 . ? 26.694 47.238 11.999 1.00 38.62 ? 502 NAG A C6 1 HETATM 1641 C C7 . NAG C 2 . ? 20.410 44.904 11.743 1.00 42.58 ? 502 NAG A C7 1 HETATM 1642 C C8 . NAG C 2 . ? 19.242 44.180 12.350 1.00 42.00 ? 502 NAG A C8 1 HETATM 1643 N N2 . NAG C 2 . ? 21.572 44.853 12.403 1.00 39.28 ? 502 NAG A N2 1 HETATM 1644 O O3 . NAG C 2 . ? 23.643 43.513 10.878 1.00 36.64 ? 502 NAG A O3 1 HETATM 1645 O O4 . NAG C 2 . ? 26.373 44.391 11.783 1.00 37.06 ? 502 NAG A O4 1 HETATM 1646 O O5 . NAG C 2 . ? 24.309 47.323 12.220 1.00 38.67 ? 502 NAG A O5 1 HETATM 1647 O O6 . NAG C 2 . ? 26.621 48.541 12.551 1.00 37.75 ? 502 NAG A O6 1 HETATM 1648 O O7 . NAG C 2 . ? 20.261 45.512 10.673 1.00 44.61 ? 502 NAG A O7 1 HETATM 1649 C C1 . BMA D 3 . ? 26.830 43.480 10.775 1.00 38.82 ? 503 BMA A C1 1 HETATM 1650 C C2 . BMA D 3 . ? 28.315 43.198 11.002 1.00 40.84 ? 503 BMA A C2 1 HETATM 1651 C C3 . BMA D 3 . ? 28.840 42.099 10.093 1.00 41.61 ? 503 BMA A C3 1 HETATM 1652 C C4 . BMA D 3 . ? 27.955 40.877 10.194 1.00 41.72 ? 503 BMA A C4 1 HETATM 1653 C C5 . BMA D 3 . ? 26.518 41.261 9.928 1.00 39.95 ? 503 BMA A C5 1 HETATM 1654 C C6 . BMA D 3 . ? 25.630 40.049 10.097 1.00 40.77 ? 503 BMA A C6 1 HETATM 1655 O O2 . BMA D 3 . ? 28.508 42.773 12.364 1.00 41.21 ? 503 BMA A O2 1 HETATM 1656 O O3 . BMA D 3 . ? 30.157 41.675 10.500 1.00 45.16 ? 503 BMA A O3 1 HETATM 1657 O O4 . BMA D 3 . ? 28.379 39.894 9.236 1.00 41.81 ? 503 BMA A O4 1 HETATM 1658 O O5 . BMA D 3 . ? 26.089 42.269 10.841 1.00 39.69 ? 503 BMA A O5 1 HETATM 1659 O O6 . BMA D 3 . ? 24.296 40.493 9.853 1.00 40.69 ? 503 BMA A O6 1 HETATM 1660 C C1 . MAN E 4 . ? 23.381 39.433 9.905 1.00 41.88 ? 504 MAN A C1 1 HETATM 1661 C C2 . MAN E 4 . ? 22.078 39.780 9.325 1.00 40.67 ? 504 MAN A C2 1 HETATM 1662 C C3 . MAN E 4 . ? 21.444 40.687 10.358 1.00 41.38 ? 504 MAN A C3 1 HETATM 1663 C C4 . MAN E 4 . ? 21.459 40.014 11.729 1.00 42.21 ? 504 MAN A C4 1 HETATM 1664 C C5 . MAN E 4 . ? 22.837 39.428 12.085 1.00 45.63 ? 504 MAN A C5 1 HETATM 1665 C C6 . MAN E 4 . ? 22.836 38.649 13.410 1.00 47.67 ? 504 MAN A C6 1 HETATM 1666 O O2 . MAN E 4 . ? 21.215 38.673 9.223 1.00 39.85 ? 504 MAN A O2 1 HETATM 1667 O O3 . MAN E 4 . ? 20.126 40.993 9.976 1.00 39.52 ? 504 MAN A O3 1 HETATM 1668 O O4 . MAN E 4 . ? 21.131 41.024 12.635 1.00 43.40 ? 504 MAN A O4 1 HETATM 1669 O O5 . MAN E 4 . ? 23.327 38.628 11.001 1.00 45.20 ? 504 MAN A O5 1 HETATM 1670 O O6 . MAN E 4 . ? 22.381 37.308 13.274 1.00 50.43 ? 504 MAN A O6 1 HETATM 1671 C C1 . NAG F 2 . ? 21.297 38.088 7.920 1.00 41.72 ? 505 NAG A C1 1 HETATM 1672 C C2 . NAG F 2 . ? 20.754 36.660 7.957 1.00 41.64 ? 505 NAG A C2 1 HETATM 1673 C C3 . NAG F 2 . ? 20.862 36.047 6.586 1.00 39.20 ? 505 NAG A C3 1 HETATM 1674 C C4 . NAG F 2 . ? 20.287 36.953 5.503 1.00 37.85 ? 505 NAG A C4 1 HETATM 1675 C C5 . NAG F 2 . ? 20.862 38.358 5.657 1.00 37.19 ? 505 NAG A C5 1 HETATM 1676 C C6 . NAG F 2 . ? 20.291 39.331 4.642 1.00 36.02 ? 505 NAG A C6 1 HETATM 1677 C C7 . NAG F 2 . ? 21.470 35.898 10.135 1.00 45.84 ? 505 NAG A C7 1 HETATM 1678 C C8 . NAG F 2 . ? 22.538 35.149 10.900 1.00 45.53 ? 505 NAG A C8 1 HETATM 1679 N N2 . NAG F 2 . ? 21.634 35.911 8.822 1.00 43.84 ? 505 NAG A N2 1 HETATM 1680 O O3 . NAG F 2 . ? 20.161 34.833 6.666 1.00 40.18 ? 505 NAG A O3 1 HETATM 1681 O O4 . NAG F 2 . ? 20.633 36.418 4.228 1.00 36.14 ? 505 NAG A O4 1 HETATM 1682 O O5 . NAG F 2 . ? 20.591 38.842 6.953 1.00 38.80 ? 505 NAG A O5 1 HETATM 1683 O O6 . NAG F 2 . ? 18.901 39.422 4.805 1.00 34.40 ? 505 NAG A O6 1 HETATM 1684 O O7 . NAG F 2 . ? 20.527 36.465 10.697 1.00 46.39 ? 505 NAG A O7 1 HETATM 1685 C C1 . MAN G 4 . ? 31.233 42.231 9.714 1.00 48.68 ? 506 MAN A C1 1 HETATM 1686 C C2 . MAN G 4 . ? 32.519 41.496 10.051 1.00 49.18 ? 506 MAN A C2 1 HETATM 1687 C C3 . MAN G 4 . ? 32.868 41.739 11.522 1.00 50.60 ? 506 MAN A C3 1 HETATM 1688 C C4 . MAN G 4 . ? 32.917 43.233 11.831 1.00 49.35 ? 506 MAN A C4 1 HETATM 1689 C C5 . MAN G 4 . ? 31.671 43.953 11.310 1.00 50.50 ? 506 MAN A C5 1 HETATM 1690 C C6 . MAN G 4 . ? 31.828 45.469 11.381 1.00 52.21 ? 506 MAN A C6 1 HETATM 1691 O O2 . MAN G 4 . ? 33.541 42.036 9.244 1.00 49.91 ? 506 MAN A O2 1 HETATM 1692 O O3 . MAN G 4 . ? 34.117 41.162 11.835 1.00 50.00 ? 506 MAN A O3 1 HETATM 1693 O O4 . MAN G 4 . ? 33.033 43.406 13.229 1.00 48.83 ? 506 MAN A O4 1 HETATM 1694 O O5 . MAN G 4 . ? 31.405 43.616 9.956 1.00 48.11 ? 506 MAN A O5 1 HETATM 1695 O O6 . MAN G 4 . ? 30.549 46.056 11.522 1.00 56.11 ? 506 MAN A O6 1 HETATM 1696 C C1 . NAG H 2 . ? 33.906 41.226 8.110 0.50 48.69 ? 507 NAG A C1 1 HETATM 1697 C C2 . NAG H 2 . ? 34.520 42.165 7.087 0.50 48.68 ? 507 NAG A C2 1 HETATM 1698 C C3 . NAG H 2 . ? 34.924 41.387 5.849 0.50 48.94 ? 507 NAG A C3 1 HETATM 1699 C C4 . NAG H 2 . ? 35.856 40.247 6.237 0.50 49.51 ? 507 NAG A C4 1 HETATM 1700 C C5 . NAG H 2 . ? 35.300 39.421 7.395 0.50 48.27 ? 507 NAG A C5 1 HETATM 1701 C C6 . NAG H 2 . ? 36.404 38.533 7.956 0.50 48.02 ? 507 NAG A C6 1 HETATM 1702 C C7 . NAG H 2 . ? 33.587 44.385 7.411 0.50 49.18 ? 507 NAG A C7 1 HETATM 1703 C C8 . NAG H 2 . ? 32.585 45.403 6.961 0.50 49.86 ? 507 NAG A C8 1 HETATM 1704 N N2 . NAG H 2 . ? 33.598 43.234 6.744 0.50 49.26 ? 507 NAG A N2 1 HETATM 1705 O O3 . NAG H 2 . ? 35.592 42.262 4.971 0.50 49.57 ? 507 NAG A O3 1 HETATM 1706 O O4 . NAG H 2 . ? 36.092 39.412 5.120 0.50 49.43 ? 507 NAG A O4 1 HETATM 1707 O O5 . NAG H 2 . ? 34.842 40.234 8.456 0.50 48.72 ? 507 NAG A O5 1 HETATM 1708 O O6 . NAG H 2 . ? 36.120 37.177 7.707 0.50 46.64 ? 507 NAG A O6 1 HETATM 1709 O O7 . NAG H 2 . ? 34.339 44.621 8.358 0.50 48.85 ? 507 NAG A O7 1 HETATM 1710 C C1 . GAL I 5 . ? 19.491 36.231 3.351 1.00 34.79 ? 508 GAL A C1 1 HETATM 1711 C C2 . GAL I 5 . ? 19.948 35.615 2.007 1.00 33.22 ? 508 GAL A C2 1 HETATM 1712 C C3 . GAL I 5 . ? 18.727 35.192 1.187 1.00 32.08 ? 508 GAL A C3 1 HETATM 1713 C C4 . GAL I 5 . ? 17.719 34.401 2.021 1.00 34.22 ? 508 GAL A C4 1 HETATM 1714 C C5 . GAL I 5 . ? 17.324 35.212 3.246 1.00 34.81 ? 508 GAL A C5 1 HETATM 1715 C C6 . GAL I 5 . ? 16.302 34.456 4.099 1.00 36.26 ? 508 GAL A C6 1 HETATM 1716 O O2 . GAL I 5 . ? 20.773 36.496 1.226 1.00 31.24 ? 508 GAL A O2 1 HETATM 1717 O O3 . GAL I 5 . ? 19.114 34.415 0.070 1.00 32.11 ? 508 GAL A O3 1 HETATM 1718 O O4 . GAL I 5 . ? 18.255 33.148 2.436 1.00 34.46 ? 508 GAL A O4 1 HETATM 1719 O O5 . GAL I 5 . ? 18.499 35.438 3.990 1.00 33.87 ? 508 GAL A O5 1 HETATM 1720 O O6 . GAL I 5 . ? 15.874 35.246 5.191 1.00 38.75 ? 508 GAL A O6 1 HETATM 1721 S S . SO4 J 6 . ? 13.886 3.532 24.880 0.60 36.11 ? 509 SO4 A S 1 HETATM 1722 O O1 . SO4 J 6 . ? 15.308 3.302 24.520 0.60 34.72 ? 509 SO4 A O1 1 HETATM 1723 O O2 . SO4 J 6 . ? 13.028 3.487 23.672 0.60 36.05 ? 509 SO4 A O2 1 HETATM 1724 O O3 . SO4 J 6 . ? 13.396 2.492 25.819 0.60 39.40 ? 509 SO4 A O3 1 HETATM 1725 O O4 . SO4 J 6 . ? 13.721 4.846 25.534 0.60 35.13 ? 509 SO4 A O4 1 HETATM 1726 S S . SO4 K 6 . ? 8.556 57.499 10.883 1.00 27.35 ? 510 SO4 A S 1 HETATM 1727 O O1 . SO4 K 6 . ? 9.891 57.589 10.297 1.00 41.11 ? 510 SO4 A O1 1 HETATM 1728 O O2 . SO4 K 6 . ? 7.525 57.008 9.951 1.00 35.52 ? 510 SO4 A O2 1 HETATM 1729 O O3 . SO4 K 6 . ? 8.499 56.623 12.078 1.00 40.80 ? 510 SO4 A O3 1 HETATM 1730 O O4 . SO4 K 6 . ? 8.222 58.893 11.308 1.00 42.73 ? 510 SO4 A O4 1 HETATM 1731 S S . SO4 L 6 . ? 33.393 51.532 -9.587 0.60 38.53 ? 511 SO4 A S 1 HETATM 1732 O O1 . SO4 L 6 . ? 34.230 51.813 -10.783 0.60 42.53 ? 511 SO4 A O1 1 HETATM 1733 O O2 . SO4 L 6 . ? 32.345 52.567 -9.540 0.60 38.78 ? 511 SO4 A O2 1 HETATM 1734 O O3 . SO4 L 6 . ? 32.819 50.186 -9.738 0.60 40.28 ? 511 SO4 A O3 1 HETATM 1735 O O4 . SO4 L 6 . ? 34.255 51.582 -8.389 0.60 39.63 ? 511 SO4 A O4 1 HETATM 1736 C C . ACT M 7 . ? 16.251 48.303 -6.871 1.00 38.84 ? 512 ACT A C 1 HETATM 1737 O O . ACT M 7 . ? 16.311 47.534 -5.834 1.00 31.02 ? 512 ACT A O 1 HETATM 1738 O OXT . ACT M 7 . ? 17.247 48.796 -7.440 1.00 39.58 ? 512 ACT A OXT 1 HETATM 1739 C CH3 . ACT M 7 . ? 14.954 48.701 -7.531 1.00 37.06 ? 512 ACT A CH3 1 HETATM 1740 C C . ACT N 7 . ? 32.325 9.559 -6.966 1.00 35.14 ? 513 ACT A C 1 HETATM 1741 O O . ACT N 7 . ? 32.113 10.200 -8.026 1.00 37.96 ? 513 ACT A O 1 HETATM 1742 O OXT . ACT N 7 . ? 31.383 9.139 -6.285 1.00 34.85 ? 513 ACT A OXT 1 HETATM 1743 C CH3 . ACT N 7 . ? 33.724 9.291 -6.486 1.00 34.66 ? 513 ACT A CH3 1 HETATM 1744 O O . HOH O 8 . ? 20.307 20.932 -7.266 1.00 49.35 ? 601 HOH A O 1 HETATM 1745 O O . HOH O 8 . ? 13.686 46.578 12.723 1.00 11.29 ? 602 HOH A O 1 HETATM 1746 O O . HOH O 8 . ? 13.691 9.985 22.393 1.00 31.94 ? 603 HOH A O 1 HETATM 1747 O O . HOH O 8 . ? 20.545 14.990 -13.214 1.00 31.31 ? 604 HOH A O 1 HETATM 1748 O O . HOH O 8 . ? 14.431 18.990 3.728 1.00 38.50 ? 605 HOH A O 1 HETATM 1749 O O . HOH O 8 . ? 13.876 1.127 8.848 1.00 42.99 ? 606 HOH A O 1 HETATM 1750 O O . HOH O 8 . ? 31.510 1.862 29.663 1.00 41.85 ? 607 HOH A O 1 HETATM 1751 O O . HOH O 8 . ? 41.651 19.821 -1.494 1.00 30.50 ? 608 HOH A O 1 HETATM 1752 O O . HOH O 8 . ? 18.934 32.232 -0.886 1.00 23.96 ? 609 HOH A O 1 HETATM 1753 O O . HOH O 8 . ? 13.409 30.265 -1.910 1.00 43.52 ? 610 HOH A O 1 HETATM 1754 O O . HOH O 8 . ? 15.518 31.313 1.423 1.00 35.63 ? 611 HOH A O 1 HETATM 1755 O O . HOH O 8 . ? 13.965 6.811 4.727 1.00 45.56 ? 612 HOH A O 1 HETATM 1756 O O . HOH O 8 . ? 28.674 25.168 -4.010 1.00 33.05 ? 613 HOH A O 1 HETATM 1757 O O . HOH O 8 . ? 13.091 36.985 -0.218 1.00 52.59 ? 614 HOH A O 1 HETATM 1758 O O . HOH O 8 . ? 15.521 11.026 17.066 1.00 33.29 ? 615 HOH A O 1 HETATM 1759 O O . HOH O 8 . ? 18.411 39.120 9.709 1.00 48.66 ? 616 HOH A O 1 HETATM 1760 O O . HOH O 8 . ? 23.198 24.346 4.478 1.00 37.23 ? 617 HOH A O 1 HETATM 1761 O O . HOH O 8 . ? 31.210 29.536 -1.297 1.00 31.86 ? 618 HOH A O 1 HETATM 1762 O O . HOH O 8 . ? 34.565 26.716 -6.037 1.00 23.27 ? 619 HOH A O 1 HETATM 1763 O O . HOH O 8 . ? 14.742 12.285 14.567 1.00 41.50 ? 620 HOH A O 1 HETATM 1764 O O . HOH O 8 . ? 6.260 52.786 17.317 1.00 46.70 ? 621 HOH A O 1 HETATM 1765 O O . HOH O 8 . ? 32.353 0.643 20.123 1.00 34.72 ? 622 HOH A O 1 HETATM 1766 O O . HOH O 8 . ? 23.763 12.173 20.914 1.00 18.63 ? 623 HOH A O 1 HETATM 1767 O O . HOH O 8 . ? 20.137 -5.363 24.060 1.00 55.37 ? 624 HOH A O 1 HETATM 1768 O O . HOH O 8 . ? 19.894 51.267 10.431 1.00 29.70 ? 625 HOH A O 1 HETATM 1769 O O . HOH O 8 . ? 27.744 9.440 -3.095 1.00 43.32 ? 626 HOH A O 1 HETATM 1770 O O . HOH O 8 . ? 28.190 7.423 16.498 1.00 16.47 ? 627 HOH A O 1 HETATM 1771 O O . HOH O 8 . ? 32.779 54.576 -4.978 1.00 48.54 ? 628 HOH A O 1 HETATM 1772 O O . HOH O 8 . ? 29.767 5.406 2.756 1.00 27.38 ? 629 HOH A O 1 HETATM 1773 O O . HOH O 8 . ? 23.445 46.209 -18.687 1.00 45.38 ? 630 HOH A O 1 HETATM 1774 O O . HOH O 8 . ? 15.391 39.774 -8.638 1.00 29.67 ? 631 HOH A O 1 HETATM 1775 O O . HOH O 8 . ? 30.558 50.927 -10.917 1.00 36.16 ? 632 HOH A O 1 HETATM 1776 O O . HOH O 8 . ? 34.640 46.068 -9.475 1.00 46.80 ? 633 HOH A O 1 HETATM 1777 O O . HOH O 8 . ? 24.378 53.318 -6.594 1.00 20.65 ? 634 HOH A O 1 HETATM 1778 O O . HOH O 8 . ? 12.456 41.640 -10.621 1.00 47.41 ? 635 HOH A O 1 HETATM 1779 O O . HOH O 8 . ? 36.665 14.278 -2.074 1.00 31.22 ? 636 HOH A O 1 HETATM 1780 O O . HOH O 8 . ? 16.721 -1.157 24.907 1.00 52.62 ? 637 HOH A O 1 HETATM 1781 O O . HOH O 8 . ? 26.223 24.050 13.939 1.00 24.52 ? 638 HOH A O 1 HETATM 1782 O O . HOH O 8 . ? 40.957 23.994 10.409 1.00 24.62 ? 639 HOH A O 1 HETATM 1783 O O . HOH O 8 . ? 29.689 40.784 13.713 1.00 33.23 ? 640 HOH A O 1 HETATM 1784 O O . HOH O 8 . ? 22.354 35.282 -11.627 1.00 18.41 ? 641 HOH A O 1 HETATM 1785 O O . HOH O 8 . ? 43.657 14.344 0.709 1.00 25.87 ? 642 HOH A O 1 HETATM 1786 O O . HOH O 8 . ? 30.672 24.189 -10.249 1.00 46.49 ? 643 HOH A O 1 HETATM 1787 O O . HOH O 8 . ? 27.864 23.082 -2.678 1.00 16.33 ? 644 HOH A O 1 HETATM 1788 O O . HOH O 8 . ? 26.116 51.785 -13.756 1.00 42.68 ? 645 HOH A O 1 HETATM 1789 O O . HOH O 8 . ? 10.989 8.548 10.727 1.00 49.38 ? 646 HOH A O 1 HETATM 1790 O O . HOH O 8 . ? 34.216 4.417 22.514 1.00 33.04 ? 647 HOH A O 1 HETATM 1791 O O . HOH O 8 . ? 13.498 42.970 10.644 1.00 54.86 ? 648 HOH A O 1 HETATM 1792 O O . HOH O 8 . ? 21.164 23.789 -8.261 1.00 37.55 ? 649 HOH A O 1 HETATM 1793 O O . HOH O 8 . ? 33.896 43.556 -8.267 1.00 29.52 ? 650 HOH A O 1 HETATM 1794 O O . HOH O 8 . ? 26.908 22.902 9.215 1.00 26.65 ? 651 HOH A O 1 HETATM 1795 O O . HOH O 8 . ? 22.377 19.877 9.133 1.00 19.48 ? 652 HOH A O 1 HETATM 1796 O O . HOH O 8 . ? 26.661 22.182 -9.918 1.00 32.79 ? 653 HOH A O 1 HETATM 1797 O O . HOH O 8 . ? 14.813 45.157 6.413 1.00 34.94 ? 654 HOH A O 1 HETATM 1798 O O . HOH O 8 . ? 21.259 48.116 -11.412 1.00 27.10 ? 655 HOH A O 1 HETATM 1799 O O . HOH O 8 . ? 17.661 39.677 7.222 1.00 53.37 ? 656 HOH A O 1 HETATM 1800 O O . HOH O 8 . ? 37.331 32.206 -2.828 1.00 33.14 ? 657 HOH A O 1 HETATM 1801 O O . HOH O 8 . ? 27.804 2.318 8.237 1.00 43.94 ? 658 HOH A O 1 HETATM 1802 O O . HOH O 8 . ? 28.823 6.912 19.682 1.00 17.94 ? 659 HOH A O 1 HETATM 1803 O O . HOH O 8 . ? 19.263 -0.394 13.373 1.00 20.67 ? 660 HOH A O 1 HETATM 1804 O O . HOH O 8 . ? 22.847 33.587 3.336 1.00 27.17 ? 661 HOH A O 1 HETATM 1805 O O . HOH O 8 . ? 39.882 21.765 -4.566 1.00 21.67 ? 662 HOH A O 1 HETATM 1806 O O . HOH O 8 . ? 22.354 15.103 17.956 1.00 18.52 ? 663 HOH A O 1 HETATM 1807 O O . HOH O 8 . ? 33.109 45.745 -4.726 1.00 29.51 ? 664 HOH A O 1 HETATM 1808 O O . HOH O 8 . ? 9.821 45.448 11.885 1.00 37.28 ? 665 HOH A O 1 HETATM 1809 O O . HOH O 8 . ? 17.970 28.265 -11.705 1.00 41.81 ? 666 HOH A O 1 HETATM 1810 O O . HOH O 8 . ? 29.322 32.845 -7.537 1.00 19.43 ? 667 HOH A O 1 HETATM 1811 O O . HOH O 8 . ? 19.144 48.073 -9.312 1.00 38.74 ? 668 HOH A O 1 HETATM 1812 O O . HOH O 8 . ? 20.130 32.851 4.735 1.00 40.60 ? 669 HOH A O 1 HETATM 1813 O O . HOH O 8 . ? 38.423 16.655 4.323 1.00 17.89 ? 670 HOH A O 1 HETATM 1814 O O . HOH O 8 . ? 14.386 47.098 4.609 1.00 26.27 ? 671 HOH A O 1 HETATM 1815 O O . HOH O 8 . ? 34.176 33.378 -8.768 1.00 39.80 ? 672 HOH A O 1 HETATM 1816 O O . HOH O 8 . ? 36.988 28.580 -9.026 1.00 32.16 ? 673 HOH A O 1 HETATM 1817 O O . HOH O 8 . ? 26.313 27.156 -3.326 1.00 39.23 ? 674 HOH A O 1 HETATM 1818 O O . HOH O 8 . ? 31.464 3.563 15.308 1.00 27.46 ? 675 HOH A O 1 HETATM 1819 O O . HOH O 8 . ? 18.842 22.495 15.350 1.00 36.69 ? 676 HOH A O 1 HETATM 1820 O O . HOH O 8 . ? 16.874 38.330 1.245 1.00 33.20 ? 677 HOH A O 1 HETATM 1821 O O . HOH O 8 . ? 20.273 60.188 -0.726 1.00 32.51 ? 678 HOH A O 1 HETATM 1822 O O . HOH O 8 . ? 14.837 14.863 5.978 1.00 25.23 ? 679 HOH A O 1 HETATM 1823 O O . HOH O 8 . ? 31.940 42.797 -17.791 1.00 22.69 ? 680 HOH A O 1 HETATM 1824 O O . HOH O 8 . ? 18.524 60.078 11.201 1.00 44.22 ? 681 HOH A O 1 HETATM 1825 O O . HOH O 8 . ? 26.118 30.232 -0.247 1.00 42.18 ? 682 HOH A O 1 HETATM 1826 O O . HOH O 8 . ? 18.105 2.268 28.198 1.00 58.48 ? 683 HOH A O 1 HETATM 1827 O O . HOH O 8 . ? 24.472 9.209 24.652 1.00 47.06 ? 684 HOH A O 1 HETATM 1828 O O . HOH O 8 . ? 45.685 20.116 -1.443 1.00 20.76 ? 685 HOH A O 1 HETATM 1829 O O . HOH O 8 . ? 15.540 18.621 8.724 1.00 47.44 ? 686 HOH A O 1 HETATM 1830 O O . HOH O 8 . ? 16.072 52.021 -2.377 1.00 42.33 ? 687 HOH A O 1 HETATM 1831 O O . HOH O 8 . ? 21.659 11.649 -6.491 1.00 32.50 ? 688 HOH A O 1 HETATM 1832 O O . HOH O 8 . ? 12.278 47.758 -6.070 1.00 17.17 ? 689 HOH A O 1 HETATM 1833 O O . HOH O 8 . ? 34.240 27.349 0.709 1.00 21.40 ? 690 HOH A O 1 HETATM 1834 O O . HOH O 8 . ? 19.368 48.297 10.724 1.00 42.45 ? 691 HOH A O 1 HETATM 1835 O O . HOH O 8 . ? 30.735 21.012 -9.118 1.00 35.63 ? 692 HOH A O 1 HETATM 1836 O O . HOH O 8 . ? 30.307 52.594 5.856 1.00 62.60 ? 693 HOH A O 1 HETATM 1837 O O . HOH O 8 . ? 29.915 10.399 -2.061 1.00 38.18 ? 694 HOH A O 1 HETATM 1838 O O . HOH O 8 . ? 27.871 25.283 4.352 1.00 31.64 ? 695 HOH A O 1 HETATM 1839 O O . HOH O 8 . ? 21.752 58.613 5.025 1.00 30.97 ? 696 HOH A O 1 HETATM 1840 O O . HOH O 8 . ? 9.503 46.951 6.810 1.00 28.00 ? 697 HOH A O 1 HETATM 1841 O O . HOH O 8 . ? 27.974 11.763 -6.593 1.00 31.59 ? 698 HOH A O 1 HETATM 1842 O O . HOH O 8 . ? 14.901 32.663 -0.555 1.00 45.68 ? 699 HOH A O 1 HETATM 1843 O O . HOH O 8 . ? 43.163 16.664 4.933 1.00 42.62 ? 700 HOH A O 1 HETATM 1844 O O . HOH O 8 . ? 22.740 21.752 13.462 1.00 19.05 ? 701 HOH A O 1 HETATM 1845 O O . HOH O 8 . ? 8.194 54.482 7.813 1.00 44.12 ? 702 HOH A O 1 HETATM 1846 O O . HOH O 8 . ? 14.185 48.767 2.118 1.00 24.73 ? 703 HOH A O 1 HETATM 1847 O O . HOH O 8 . ? 28.428 63.032 4.954 1.00 58.87 ? 704 HOH A O 1 HETATM 1848 O O . HOH O 8 . ? 21.418 51.377 18.218 1.00 45.01 ? 705 HOH A O 1 HETATM 1849 O O . HOH O 8 . ? 30.571 8.797 -0.356 1.00 37.89 ? 706 HOH A O 1 HETATM 1850 O O . HOH O 8 . ? 12.722 60.236 6.501 1.00 46.40 ? 707 HOH A O 1 HETATM 1851 O O . HOH O 8 . ? 14.394 40.056 -6.121 1.00 35.91 ? 708 HOH A O 1 HETATM 1852 O O . HOH O 8 . ? 40.104 15.105 2.853 1.00 30.13 ? 709 HOH A O 1 HETATM 1853 O O . HOH O 8 . ? 29.713 42.123 -10.992 1.00 28.85 ? 710 HOH A O 1 HETATM 1854 O O . HOH O 8 . ? 19.385 -3.820 10.152 1.00 47.91 ? 711 HOH A O 1 HETATM 1855 O O . HOH O 8 . ? 31.097 2.615 10.000 1.00 37.94 ? 712 HOH A O 1 HETATM 1856 O O . HOH O 8 . ? 32.078 27.960 -14.139 0.50 58.39 ? 713 HOH A O 1 HETATM 1857 O O . HOH O 8 . ? 8.860 45.811 -0.999 1.00 14.59 ? 714 HOH A O 1 HETATM 1858 O O . HOH O 8 . ? 15.949 -3.256 22.638 1.00 59.37 ? 715 HOH A O 1 HETATM 1859 O O . HOH O 8 . ? 38.034 25.679 9.826 1.00 23.67 ? 716 HOH A O 1 HETATM 1860 O O . HOH O 8 . ? 30.605 47.273 5.752 1.00 43.22 ? 717 HOH A O 1 HETATM 1861 O O . HOH O 8 . ? 11.789 44.550 5.129 1.00 42.62 ? 718 HOH A O 1 HETATM 1862 O O . HOH O 8 . ? 29.328 27.499 3.396 1.00 55.06 ? 719 HOH A O 1 HETATM 1863 O O . HOH O 8 . ? 22.285 21.488 6.652 1.00 53.35 ? 720 HOH A O 1 HETATM 1864 O O . HOH O 8 . ? 18.844 8.336 -2.840 1.00 48.52 ? 721 HOH A O 1 HETATM 1865 O O . HOH O 8 . ? 33.898 30.926 -7.566 1.00 37.49 ? 722 HOH A O 1 HETATM 1866 O O . HOH O 8 . ? 18.605 43.135 -16.375 1.00 36.43 ? 723 HOH A O 1 HETATM 1867 O O . HOH O 8 . ? 14.327 38.119 -11.235 1.00 40.17 ? 724 HOH A O 1 HETATM 1868 O O . HOH O 8 . ? 21.352 26.107 3.490 1.00 47.91 ? 725 HOH A O 1 HETATM 1869 O O . HOH O 8 . ? 34.065 34.365 -2.201 1.00 47.69 ? 726 HOH A O 1 HETATM 1870 O O . HOH O 8 . ? 18.563 45.721 -10.489 1.00 29.81 ? 727 HOH A O 1 HETATM 1871 O O . HOH O 8 . ? 19.996 39.430 -12.987 1.00 25.91 ? 728 HOH A O 1 HETATM 1872 O O . HOH O 8 . ? 39.760 21.532 -1.915 1.00 26.83 ? 729 HOH A O 1 HETATM 1873 O O . HOH O 8 . ? 34.489 47.473 -6.481 1.00 39.61 ? 730 HOH A O 1 HETATM 1874 O O . HOH O 8 . ? 24.535 35.972 8.203 1.00 43.94 ? 731 HOH A O 1 HETATM 1875 O O . HOH O 8 . ? 43.718 16.659 9.561 1.00 25.80 ? 732 HOH A O 1 HETATM 1876 O O . HOH O 8 . ? 31.116 41.607 -0.009 1.00 49.73 ? 733 HOH A O 1 HETATM 1877 O O . HOH O 8 . ? 33.369 54.484 -0.777 1.00 49.66 ? 734 HOH A O 1 HETATM 1878 O O . HOH O 8 . ? 19.457 20.691 6.490 1.00 45.89 ? 735 HOH A O 1 HETATM 1879 O O . HOH O 8 . ? 9.481 52.402 6.621 1.00 33.05 ? 736 HOH A O 1 HETATM 1880 O O . HOH O 8 . ? 33.399 50.970 -1.803 1.00 34.18 ? 737 HOH A O 1 HETATM 1881 O O . HOH O 8 . ? 34.147 25.485 11.927 1.00 24.07 ? 738 HOH A O 1 HETATM 1882 O O . HOH O 8 . ? 24.565 16.144 -11.787 1.00 28.22 ? 739 HOH A O 1 HETATM 1883 O O . HOH O 8 . ? 29.830 33.891 -0.592 1.00 43.76 ? 740 HOH A O 1 HETATM 1884 O O . HOH O 8 . ? 14.534 54.028 0.986 1.00 26.47 ? 741 HOH A O 1 HETATM 1885 O O . HOH O 8 . ? 30.004 49.893 4.434 1.00 23.65 ? 742 HOH A O 1 HETATM 1886 O O . HOH O 8 . ? 36.222 15.191 -6.313 1.00 28.33 ? 743 HOH A O 1 HETATM 1887 O O . HOH O 8 . ? 23.409 58.434 7.285 1.00 40.84 ? 744 HOH A O 1 HETATM 1888 O O . HOH O 8 . ? 26.635 58.381 -2.815 1.00 31.83 ? 745 HOH A O 1 HETATM 1889 O O . HOH O 8 . ? 23.972 3.345 1.800 1.00 37.91 ? 746 HOH A O 1 HETATM 1890 O O . HOH O 8 . ? 29.525 42.793 3.231 1.00 35.71 ? 747 HOH A O 1 HETATM 1891 O O . HOH O 8 . ? 20.994 37.630 -11.301 1.00 24.64 ? 748 HOH A O 1 HETATM 1892 O O . HOH O 8 . ? 33.526 43.484 -1.497 1.00 34.85 ? 749 HOH A O 1 HETATM 1893 O O . HOH O 8 . ? 41.907 14.053 4.865 1.00 40.98 ? 750 HOH A O 1 HETATM 1894 O O . HOH O 8 . ? 19.891 18.735 -4.272 1.00 39.75 ? 751 HOH A O 1 HETATM 1895 O O . HOH O 8 . ? 34.359 37.602 -4.947 1.00 57.35 ? 752 HOH A O 1 HETATM 1896 O O . HOH O 8 . ? 11.952 46.604 -8.524 1.00 31.23 ? 753 HOH A O 1 HETATM 1897 O O . HOH O 8 . ? 30.949 47.423 -14.397 1.00 55.94 ? 754 HOH A O 1 HETATM 1898 O O . HOH O 8 . ? 12.984 -5.577 15.406 1.00 54.43 ? 755 HOH A O 1 HETATM 1899 O O . HOH O 8 . ? 26.255 63.886 -1.763 1.00 58.15 ? 756 HOH A O 1 HETATM 1900 O O . HOH O 8 . ? 24.899 0.073 8.422 1.00 31.20 ? 757 HOH A O 1 HETATM 1901 O O . HOH O 8 . ? 24.125 30.958 3.560 1.00 57.63 ? 758 HOH A O 1 HETATM 1902 O O . HOH O 8 . ? 12.495 55.815 1.437 1.00 30.77 ? 759 HOH A O 1 HETATM 1903 O O . HOH O 8 . ? 19.830 66.822 3.414 1.00 56.60 ? 760 HOH A O 1 HETATM 1904 O O . HOH O 8 . ? 17.594 51.869 -6.727 1.00 21.05 ? 761 HOH A O 1 HETATM 1905 O O . HOH O 8 . ? 21.840 8.481 -3.069 1.00 42.69 ? 762 HOH A O 1 HETATM 1906 O O . HOH O 8 . ? 32.945 36.694 -2.059 1.00 29.02 ? 763 HOH A O 1 HETATM 1907 O O . HOH O 8 . ? 36.861 28.560 0.775 1.00 35.64 ? 764 HOH A O 1 HETATM 1908 O O . HOH O 8 . ? 26.951 46.994 -18.114 1.00 46.50 ? 765 HOH A O 1 HETATM 1909 O O . HOH O 8 . ? 15.203 54.359 -1.446 1.00 31.83 ? 766 HOH A O 1 HETATM 1910 O O . HOH O 8 . ? 13.533 4.646 28.692 1.00 56.62 ? 767 HOH A O 1 HETATM 1911 O O . HOH O 8 . ? 32.078 34.137 -14.139 0.50 38.44 ? 768 HOH A O 1 HETATM 1912 O O . HOH O 8 . ? 27.947 17.582 -10.236 1.00 44.35 ? 769 HOH A O 1 HETATM 1913 O O . HOH O 8 . ? 21.012 4.886 1.014 1.00 45.98 ? 770 HOH A O 1 HETATM 1914 O O . HOH O 8 . ? 20.633 8.088 29.421 1.00 50.20 ? 771 HOH A O 1 HETATM 1915 O O . HOH O 8 . ? 15.171 41.081 7.780 1.00 57.46 ? 772 HOH A O 1 HETATM 1916 O O . HOH O 8 . ? 28.880 31.245 -0.611 1.00 49.37 ? 773 HOH A O 1 HETATM 1917 O O . HOH O 8 . ? 20.442 17.637 2.719 1.00 46.09 ? 774 HOH A O 1 HETATM 1918 O O . HOH O 8 . ? 30.852 38.944 12.192 1.00 56.30 ? 775 HOH A O 1 HETATM 1919 O O . HOH O 8 . ? 34.441 1.822 21.892 1.00 48.80 ? 776 HOH A O 1 HETATM 1920 O O . HOH O 8 . ? 13.868 8.984 19.161 1.00 46.35 ? 777 HOH A O 1 HETATM 1921 O O . HOH O 8 . ? 20.721 32.751 9.367 1.00 66.75 ? 778 HOH A O 1 HETATM 1922 O O . HOH O 8 . ? 35.195 27.316 8.097 1.00 47.70 ? 779 HOH A O 1 HETATM 1923 O O . HOH O 8 . ? 16.194 55.784 -5.269 1.00 42.45 ? 780 HOH A O 1 HETATM 1924 O O . HOH O 8 . ? 26.236 60.347 11.982 1.00 55.53 ? 781 HOH A O 1 HETATM 1925 O O . HOH O 8 . ? 22.262 11.548 -9.604 1.00 50.19 ? 782 HOH A O 1 HETATM 1926 O O . HOH O 8 . ? 7.654 8.838 2.259 1.00 63.05 ? 783 HOH A O 1 HETATM 1927 O O . HOH O 8 . ? 14.997 17.979 19.430 1.00 40.15 ? 784 HOH A O 1 HETATM 1928 O O . HOH O 8 . ? 26.880 31.241 2.025 1.00 59.24 ? 785 HOH A O 1 HETATM 1929 O O . HOH O 8 . ? 22.320 24.690 -10.682 1.00 40.50 ? 786 HOH A O 1 HETATM 1930 O O . HOH O 8 . ? 19.422 27.927 -13.337 1.00 36.62 ? 787 HOH A O 1 HETATM 1931 O O . HOH O 8 . ? 15.677 39.724 3.325 1.00 45.43 ? 788 HOH A O 1 HETATM 1932 O O . HOH O 8 . ? 28.005 40.374 5.719 1.00 53.38 ? 789 HOH A O 1 HETATM 1933 O O . HOH O 8 . ? 21.673 48.126 -18.773 1.00 35.45 ? 790 HOH A O 1 HETATM 1934 O O . HOH O 8 . ? 8.933 59.479 4.075 1.00 34.52 ? 791 HOH A O 1 HETATM 1935 O O . HOH O 8 . ? 22.315 55.059 -12.777 1.00 41.94 ? 792 HOH A O 1 HETATM 1936 O O . HOH O 8 . ? 31.451 41.160 4.652 1.00 56.04 ? 793 HOH A O 1 HETATM 1937 O O . HOH O 8 . ? 17.629 40.038 12.931 1.00 49.55 ? 794 HOH A O 1 HETATM 1938 O O . HOH O 8 . ? 26.985 25.141 -16.993 1.00 47.86 ? 795 HOH A O 1 HETATM 1939 O O . HOH O 8 . ? 8.395 52.622 12.999 1.00 42.08 ? 796 HOH A O 1 HETATM 1940 O O . HOH O 8 . ? 25.097 21.615 7.133 1.00 47.27 ? 797 HOH A O 1 HETATM 1941 O O . HOH O 8 . ? 33.938 48.562 5.479 1.00 59.41 ? 798 HOH A O 1 HETATM 1942 O O . HOH O 8 . ? 10.407 8.903 0.584 1.00 53.46 ? 799 HOH A O 1 HETATM 1943 O O . HOH O 8 . ? 27.431 7.129 -4.667 1.00 53.96 ? 800 HOH A O 1 HETATM 1944 O O . HOH O 8 . ? 15.462 -6.706 18.166 1.00 46.73 ? 801 HOH A O 1 HETATM 1945 O O . HOH O 8 . ? 18.392 10.399 28.387 1.00 48.49 ? 802 HOH A O 1 HETATM 1946 O O . HOH O 8 . ? 10.983 37.726 -6.394 1.00 46.96 ? 803 HOH A O 1 HETATM 1947 O O . HOH O 8 . ? 40.524 30.070 -1.457 1.00 43.32 ? 804 HOH A O 1 HETATM 1948 O O . HOH O 8 . ? 11.366 40.640 -2.959 1.00 57.39 ? 805 HOH A O 1 HETATM 1949 O O . HOH O 8 . ? 14.276 29.012 -9.008 1.00 58.30 ? 806 HOH A O 1 HETATM 1950 O O . HOH O 8 . ? 17.032 49.197 -12.030 1.00 52.69 ? 807 HOH A O 1 HETATM 1951 O O . HOH O 8 . ? 20.829 58.832 -4.147 1.00 50.43 ? 808 HOH A O 1 HETATM 1952 O O . HOH O 8 . ? 22.919 57.643 12.203 1.00 59.95 ? 809 HOH A O 1 HETATM 1953 O O . HOH O 8 . ? 29.813 24.425 -16.728 1.00 48.19 ? 810 HOH A O 1 HETATM 1954 O O . HOH O 8 . ? 34.397 32.731 -0.074 1.00 52.33 ? 811 HOH A O 1 HETATM 1955 O O . HOH O 8 . ? 42.800 12.457 -0.574 1.00 48.80 ? 812 HOH A O 1 HETATM 1956 O O . HOH O 8 . ? 23.630 23.822 15.199 1.00 32.71 ? 813 HOH A O 1 HETATM 1957 O O . HOH O 8 . ? 38.063 53.158 -10.681 1.00 53.06 ? 814 HOH A O 1 HETATM 1958 O O . HOH O 8 . ? 11.695 18.009 7.170 1.00 54.42 ? 815 HOH A O 1 HETATM 1959 O O . HOH O 8 . ? 14.547 8.603 2.515 1.00 49.88 ? 816 HOH A O 1 HETATM 1960 O O . HOH O 8 . ? 15.584 51.782 -9.886 1.00 42.30 ? 817 HOH A O 1 HETATM 1961 O O . HOH O 8 . ? 16.731 2.971 2.031 1.00 51.87 ? 818 HOH A O 1 HETATM 1962 O O . HOH O 8 . ? 35.239 28.861 5.028 1.00 59.03 ? 819 HOH A O 1 HETATM 1963 O O . HOH O 8 . ? 26.050 25.637 11.785 1.00 43.23 ? 820 HOH A O 1 HETATM 1964 O O . HOH O 8 . ? 39.375 27.468 1.966 1.00 28.59 ? 821 HOH A O 1 HETATM 1965 O O . HOH O 8 . ? 14.583 3.047 31.638 1.00 59.57 ? 822 HOH A O 1 HETATM 1966 O O . HOH O 8 . ? 34.539 28.939 -9.558 1.00 39.09 ? 823 HOH A O 1 HETATM 1967 O O . HOH O 8 . ? 21.134 5.779 -3.234 1.00 61.24 ? 824 HOH A O 1 HETATM 1968 O O . HOH O 8 . ? 23.917 -1.073 6.142 1.00 74.22 ? 825 HOH A O 1 HETATM 1969 O O . HOH O 8 . ? 41.977 26.388 9.492 1.00 40.26 ? 826 HOH A O 1 HETATM 1970 O O . HOH O 8 . ? 26.704 -1.535 14.117 1.00 36.24 ? 827 HOH A O 1 HETATM 1971 O O . HOH O 8 . ? 36.932 25.601 12.331 1.00 18.85 ? 828 HOH A O 1 HETATM 1972 O O . HOH O 8 . ? 14.892 47.450 -17.159 1.00 42.57 ? 829 HOH A O 1 HETATM 1973 O O . HOH O 8 . ? 12.745 40.996 -14.095 1.00 54.63 ? 830 HOH A O 1 HETATM 1974 O O . HOH O 8 . ? 23.300 38.196 -16.292 1.00 53.14 ? 831 HOH A O 1 HETATM 1975 O O . HOH O 8 . ? 27.700 26.762 9.841 1.00 53.88 ? 832 HOH A O 1 HETATM 1976 O O . HOH O 8 . ? 22.242 44.011 -20.934 1.00 37.27 ? 833 HOH A O 1 HETATM 1977 O O . HOH O 8 . ? 13.873 -2.323 7.135 1.00 49.50 ? 834 HOH A O 1 HETATM 1978 O O . HOH O 8 . ? 13.943 21.053 1.153 1.00 58.65 ? 835 HOH A O 1 HETATM 1979 O O . HOH O 8 . ? 33.066 27.607 12.712 1.00 31.08 ? 836 HOH A O 1 HETATM 1980 O O . HOH O 8 . ? 15.312 26.099 6.023 1.00 58.71 ? 837 HOH A O 1 HETATM 1981 O O . HOH O 8 . ? 6.642 42.766 -6.483 1.00 38.26 ? 838 HOH A O 1 HETATM 1982 O O . HOH O 8 . ? 28.374 35.867 4.747 1.00 44.96 ? 839 HOH A O 1 HETATM 1983 O O . HOH O 8 . ? 35.131 33.611 4.142 1.00 53.64 ? 840 HOH A O 1 HETATM 1984 O O . HOH O 8 . ? 30.610 28.515 11.119 1.00 52.27 ? 841 HOH A O 1 HETATM 1985 O O . HOH O 8 . ? 7.876 39.573 -3.775 1.00 51.53 ? 842 HOH A O 1 HETATM 1986 O O . HOH O 8 . ? 33.245 52.279 3.526 1.00 43.88 ? 843 HOH A O 1 HETATM 1987 O O . HOH O 8 . ? 22.382 26.625 14.217 1.00 52.85 ? 844 HOH A O 1 HETATM 1988 O O . HOH O 8 . ? 11.481 7.179 -1.983 1.00 54.55 ? 845 HOH A O 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 GLY 1 259 259 GLY GLY A . n A 1 2 GLY 2 260 260 GLY GLY A . n A 1 3 PRO 3 261 261 PRO PRO A . n A 1 4 SER 4 262 262 SER SER A . n A 1 5 VAL 5 263 263 VAL VAL A . n A 1 6 PHE 6 264 264 PHE PHE A . n A 1 7 LEU 7 265 265 LEU LEU A . n A 1 8 PHE 8 266 266 PHE PHE A . n A 1 9 PRO 9 267 267 PRO PRO A . n A 1 10 PRO 10 268 268 PRO PRO A . n A 1 11 LYS 11 269 269 LYS LYS A . n A 1 12 PRO 12 270 270 PRO PRO A . n A 1 13 LYS 13 271 271 LYS LYS A . n A 1 14 ASP 14 272 272 ASP ASP A . n A 1 15 THR 15 273 273 THR THR A . n A 1 16 LEU 16 274 274 LEU LEU A . n A 1 17 MET 17 275 275 MET MET A . n A 1 18 ILE 18 276 276 ILE ILE A . n A 1 19 SER 19 277 277 SER SER A . n A 1 20 ARG 20 278 278 ARG ARG A . n A 1 21 THR 21 279 279 THR THR A . n A 1 22 PRO 22 280 280 PRO PRO A . n A 1 23 GLU 23 281 281 GLU GLU A . n A 1 24 VAL 24 282 282 VAL VAL A . n A 1 25 THR 25 283 283 THR THR A . n A 1 26 CYS 26 284 284 CYS CYS A . n A 1 27 VAL 27 285 285 VAL VAL A . n A 1 28 VAL 28 286 286 VAL VAL A . n A 1 29 VAL 29 287 287 VAL VAL A . n A 1 30 ASP 30 288 288 ASP ASP A . n A 1 31 VAL 31 289 289 VAL VAL A . n A 1 32 SER 32 290 290 SER SER A . n A 1 33 HIS 33 291 291 HIS HIS A . n A 1 34 GLU 34 292 292 GLU GLU A . n A 1 35 ASP 35 293 293 ASP ASP A . n A 1 36 PRO 36 294 294 PRO PRO A . n A 1 37 GLU 37 295 295 GLU GLU A . n A 1 38 VAL 38 296 296 VAL VAL A . n A 1 39 LYS 39 297 297 LYS LYS A . n A 1 40 PHE 40 298 298 PHE PHE A . n A 1 41 ASN 41 299 299 ASN ASN A . n A 1 42 TRP 42 300 300 TRP TRP A . n A 1 43 TYR 43 301 301 TYR TYR A . n A 1 44 VAL 44 302 302 VAL VAL A . n A 1 45 ASP 45 303 303 ASP ASP A . n A 1 46 GLY 46 304 304 GLY GLY A . n A 1 47 VAL 47 305 305 VAL VAL A . n A 1 48 GLU 48 306 306 GLU GLU A . n A 1 49 VAL 49 307 307 VAL VAL A . n A 1 50 HIS 50 308 308 HIS HIS A . n A 1 51 ASN 51 309 309 ASN ASN A . n A 1 52 ALA 52 310 310 ALA ALA A . n A 1 53 LYS 53 311 311 LYS LYS A . n A 1 54 THR 54 312 312 THR THR A . n A 1 55 LYS 55 313 313 LYS LYS A . n A 1 56 PRO 56 314 314 PRO PRO A . n A 1 57 ARG 57 315 315 ARG ARG A . n A 1 58 GLU 58 316 316 GLU GLU A . n A 1 59 GLU 59 317 317 GLU GLU A . n A 1 60 GLN 60 318 318 GLN GLN A . n A 1 61 TYR 61 319 319 TYR TYR A . n A 1 62 ASN 62 320 320 ASN ASN A . n A 1 63 SER 63 321 321 SER SER A . n A 1 64 THR 64 322 322 THR THR A . n A 1 65 TYR 65 323 323 TYR TYR A . n A 1 66 ARG 66 324 324 ARG ARG A . n A 1 67 VAL 67 325 325 VAL VAL A . n A 1 68 VAL 68 326 326 VAL VAL A . n A 1 69 SER 69 327 327 SER SER A . n A 1 70 VAL 70 328 328 VAL VAL A . n A 1 71 LEU 71 329 329 LEU LEU A . n A 1 72 THR 72 330 330 THR THR A . n A 1 73 VAL 73 331 331 VAL VAL A . n A 1 74 LEU 74 332 332 LEU LEU A . n A 1 75 HIS 75 333 333 HIS HIS A . n A 1 76 GLN 76 334 334 GLN GLN A . n A 1 77 ASP 77 335 335 ASP ASP A . n A 1 78 TRP 78 336 336 TRP TRP A . n A 1 79 LEU 79 337 337 LEU LEU A . n A 1 80 ASN 80 338 338 ASN ASN A . n A 1 81 GLY 81 339 339 GLY GLY A . n A 1 82 LYS 82 340 340 LYS LYS A . n A 1 83 GLU 83 341 341 GLU GLU A . n A 1 84 TYR 84 342 342 TYR TYR A . n A 1 85 LYS 85 343 343 LYS LYS A . n A 1 86 CYS 86 344 344 CYS CYS A . n A 1 87 LYS 87 345 345 LYS LYS A . n A 1 88 VAL 88 346 346 VAL VAL A . n A 1 89 SER 89 347 347 SER SER A . n A 1 90 ASN 90 348 348 ASN ASN A . n A 1 91 LYS 91 349 349 LYS LYS A . n A 1 92 ALA 92 350 350 ALA ALA A . n A 1 93 LEU 93 351 351 LEU LEU A . n A 1 94 PRO 94 352 352 PRO PRO A . n A 1 95 ALA 95 353 353 ALA ALA A . n A 1 96 PRO 96 354 354 PRO PRO A . n A 1 97 ILE 97 355 355 ILE ILE A . n A 1 98 GLU 98 356 356 GLU GLU A . n A 1 99 LYS 99 357 357 LYS LYS A . n A 1 100 THR 100 358 358 THR THR A . n A 1 101 ILE 101 359 359 ILE ILE A . n A 1 102 SER 102 360 360 SER SER A . n A 1 103 LYS 103 361 361 LYS LYS A . n A 1 104 ALA 104 362 362 ALA ALA A . n A 1 105 LYS 105 363 363 LYS LYS A . n A 1 106 GLY 106 364 364 GLY GLY A . n A 1 107 GLN 107 365 365 GLN GLN A . n A 1 108 PRO 108 366 366 PRO PRO A . n A 1 109 ARG 109 367 367 ARG ARG A . n A 1 110 GLU 110 368 368 GLU GLU A . n A 1 111 PRO 111 369 369 PRO PRO A . n A 1 112 GLN 112 370 370 GLN GLN A . n A 1 113 VAL 113 371 371 VAL VAL A . n A 1 114 TYR 114 372 372 TYR TYR A . n A 1 115 THR 115 373 373 THR THR A . n A 1 116 LEU 116 374 374 LEU LEU A . n A 1 117 PRO 117 375 375 PRO PRO A . n A 1 118 PRO 118 376 376 PRO PRO A . n A 1 119 SER 119 377 377 SER SER A . n A 1 120 ARG 120 378 378 ARG ARG A . n A 1 121 GLU 121 379 379 GLU GLU A . n A 1 122 GLU 122 380 380 GLU GLU A . n A 1 123 MET 123 381 381 MET MET A . n A 1 124 THR 124 382 382 THR THR A . n A 1 125 LYS 125 383 383 LYS LYS A . n A 1 126 ASN 126 384 384 ASN ASN A . n A 1 127 GLN 127 385 385 GLN GLN A . n A 1 128 VAL 128 386 386 VAL VAL A . n A 1 129 SER 129 387 387 SER SER A . n A 1 130 LEU 130 388 388 LEU LEU A . n A 1 131 THR 131 389 389 THR THR A . n A 1 132 CYS 132 390 390 CYS CYS A . n A 1 133 LEU 133 391 391 LEU LEU A . n A 1 134 VAL 134 392 392 VAL VAL A . n A 1 135 LYS 135 393 393 LYS LYS A . n A 1 136 GLY 136 394 394 GLY GLY A . n A 1 137 PHE 137 395 395 PHE PHE A . n A 1 138 TYR 138 396 396 TYR TYR A . n A 1 139 PRO 139 397 397 PRO PRO A . n A 1 140 SER 140 398 398 SER SER A . n A 1 141 ASP 141 399 399 ASP ASP A . n A 1 142 ILE 142 400 400 ILE ILE A . n A 1 143 ALA 143 401 401 ALA ALA A . n A 1 144 VAL 144 402 402 VAL VAL A . n A 1 145 GLU 145 403 403 GLU GLU A . n A 1 146 TRP 146 404 404 TRP TRP A . n A 1 147 GLU 147 405 405 GLU GLU A . n A 1 148 SER 148 406 406 SER SER A . n A 1 149 ASN 149 407 407 ASN ASN A . n A 1 150 GLY 150 408 408 GLY GLY A . n A 1 151 GLN 151 409 409 GLN GLN A . n A 1 152 PRO 152 410 410 PRO PRO A . n A 1 153 GLU 153 411 411 GLU GLU A . n A 1 154 ASN 154 412 412 ASN ASN A . n A 1 155 ASN 155 413 413 ASN ASN A . n A 1 156 TYR 156 414 414 TYR TYR A . n A 1 157 LYS 157 415 415 LYS LYS A . n A 1 158 THR 158 416 416 THR THR A . n A 1 159 THR 159 417 417 THR THR A . n A 1 160 PRO 160 418 418 PRO PRO A . n A 1 161 PRO 161 419 419 PRO PRO A . n A 1 162 VAL 162 420 420 VAL VAL A . n A 1 163 LEU 163 421 421 LEU LEU A . n A 1 164 ASP 164 422 422 ASP ASP A . n A 1 165 SER 165 423 423 SER SER A . n A 1 166 ASP 166 424 424 ASP ASP A . n A 1 167 GLY 167 425 425 GLY GLY A . n A 1 168 SER 168 426 426 SER SER A . n A 1 169 PHE 169 427 427 PHE PHE A . n A 1 170 PHE 170 428 428 PHE PHE A . n A 1 171 LEU 171 429 429 LEU LEU A . n A 1 172 TYR 172 430 430 TYR TYR A . n A 1 173 SER 173 431 431 SER SER A . n A 1 174 LYS 174 432 432 LYS LYS A . n A 1 175 LEU 175 433 433 LEU LEU A . n A 1 176 THR 176 434 434 THR THR A . n A 1 177 VAL 177 435 435 VAL VAL A . n A 1 178 ASP 178 436 436 ASP ASP A . n A 1 179 LYS 179 437 437 LYS LYS A . n A 1 180 SER 180 438 438 SER SER A . n A 1 181 ARG 181 439 439 ARG ARG A . n A 1 182 TRP 182 440 440 TRP TRP A . n A 1 183 GLN 183 441 441 GLN GLN A . n A 1 184 GLN 184 442 442 GLN GLN A . n A 1 185 GLY 185 443 443 GLY GLY A . n A 1 186 ASN 186 444 444 ASN ASN A . n A 1 187 VAL 187 445 445 VAL VAL A . n A 1 188 PHE 188 446 446 PHE PHE A . n A 1 189 SER 189 447 447 SER SER A . n A 1 190 CYS 190 448 448 CYS CYS A . n A 1 191 SER 191 449 449 SER SER A . n A 1 192 VAL 192 450 450 VAL VAL A . n A 1 193 MET 193 451 451 MET MET A . n A 1 194 HIS 194 452 452 HIS HIS A . n A 1 195 GLU 195 453 453 GLU GLU A . n A 1 196 ALA 196 454 454 ALA ALA A . n A 1 197 LEU 197 455 455 LEU LEU A . n A 1 198 HIS 198 456 456 HIS HIS A . n A 1 199 ASN 199 457 457 ASN ASN A . n A 1 200 HIS 200 458 458 HIS HIS A . n A 1 201 TYR 201 459 459 TYR TYR A . n A 1 202 THR 202 460 460 THR THR A . n A 1 203 GLN 203 461 461 GLN GLN A . n A 1 204 LYS 204 462 462 LYS LYS A . n A 1 205 SER 205 463 463 SER SER A . n A 1 206 LEU 206 464 464 LEU LEU A . n A 1 207 SER 207 465 465 SER SER A . n A 1 208 LEU 208 466 466 LEU LEU 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 1 501 1445 NAG NAG A . C 2 NAG 2 502 1447 NAG NAG A . D 3 BMA 3 503 1448 BMA BMA A . E 4 MAN 4 504 1449 MAN MAN A . F 2 NAG 5 505 1450 NAG NAG A . G 4 MAN 6 506 1451 MAN MAN A . H 2 NAG 7 507 1452 NAG NAG A . I 5 GAL 8 508 1453 GAL GAL A . J 6 SO4 1 509 1 SO4 SO4 A . K 6 SO4 1 510 2 SO4 SO4 A . L 6 SO4 1 511 3 SO4 SO4 A . M 7 ACT 1 512 20 ACT ACT A . N 7 ACT 1 513 21 ACT ACT A . O 8 HOH 1 601 239 HOH HOH A . O 8 HOH 2 602 260 HOH HOH A . O 8 HOH 3 603 267 HOH HOH A . O 8 HOH 4 604 264 HOH HOH A . O 8 HOH 5 605 15 HOH HOH A . O 8 HOH 6 606 149 HOH HOH A . O 8 HOH 7 607 160 HOH HOH A . O 8 HOH 8 608 198 HOH HOH A . O 8 HOH 9 609 133 HOH HOH A . O 8 HOH 10 610 117 HOH HOH A . O 8 HOH 11 611 1 HOH HOH A . O 8 HOH 12 612 111 HOH HOH A . O 8 HOH 13 613 163 HOH HOH A . O 8 HOH 14 614 18 HOH HOH A . O 8 HOH 15 615 41 HOH HOH A . O 8 HOH 16 616 255 HOH HOH A . O 8 HOH 17 617 38 HOH HOH A . O 8 HOH 18 618 69 HOH HOH A . O 8 HOH 19 619 75 HOH HOH A . O 8 HOH 20 620 207 HOH HOH A . O 8 HOH 21 621 250 HOH HOH A . O 8 HOH 22 622 43 HOH HOH A . O 8 HOH 23 623 25 HOH HOH A . O 8 HOH 24 624 84 HOH HOH A . O 8 HOH 25 625 99 HOH HOH A . O 8 HOH 26 626 253 HOH HOH A . O 8 HOH 27 627 9 HOH HOH A . O 8 HOH 28 628 180 HOH HOH A . O 8 HOH 29 629 68 HOH HOH A . O 8 HOH 30 630 216 HOH HOH A . O 8 HOH 31 631 76 HOH HOH A . O 8 HOH 32 632 202 HOH HOH A . O 8 HOH 33 633 235 HOH HOH A . O 8 HOH 34 634 32 HOH HOH A . O 8 HOH 35 635 227 HOH HOH A . O 8 HOH 36 636 102 HOH HOH A . O 8 HOH 37 637 223 HOH HOH A . O 8 HOH 38 638 22 HOH HOH A . O 8 HOH 39 639 35 HOH HOH A . O 8 HOH 40 640 209 HOH HOH A . O 8 HOH 41 641 61 HOH HOH A . O 8 HOH 42 642 266 HOH HOH A . O 8 HOH 43 643 119 HOH HOH A . O 8 HOH 44 644 13 HOH HOH A . O 8 HOH 45 645 225 HOH HOH A . O 8 HOH 46 646 144 HOH HOH A . O 8 HOH 47 647 17 HOH HOH A . O 8 HOH 48 648 205 HOH HOH A . O 8 HOH 49 649 157 HOH HOH A . O 8 HOH 50 650 80 HOH HOH A . O 8 HOH 51 651 4 HOH HOH A . O 8 HOH 52 652 31 HOH HOH A . O 8 HOH 53 653 150 HOH HOH A . O 8 HOH 54 654 217 HOH HOH A . O 8 HOH 55 655 101 HOH HOH A . O 8 HOH 56 656 59 HOH HOH A . O 8 HOH 57 657 86 HOH HOH A . O 8 HOH 58 658 24 HOH HOH A . O 8 HOH 59 659 263 HOH HOH A . O 8 HOH 60 660 70 HOH HOH A . O 8 HOH 61 661 46 HOH HOH A . O 8 HOH 62 662 125 HOH HOH A . O 8 HOH 63 663 92 HOH HOH A . O 8 HOH 64 664 48 HOH HOH A . O 8 HOH 65 665 36 HOH HOH A . O 8 HOH 66 666 249 HOH HOH A . O 8 HOH 67 667 85 HOH HOH A . O 8 HOH 68 668 94 HOH HOH A . O 8 HOH 69 669 142 HOH HOH A . O 8 HOH 70 670 29 HOH HOH A . O 8 HOH 71 671 108 HOH HOH A . O 8 HOH 72 672 184 HOH HOH A . O 8 HOH 73 673 206 HOH HOH A . O 8 HOH 74 674 130 HOH HOH A . O 8 HOH 75 675 30 HOH HOH A . O 8 HOH 76 676 224 HOH HOH A . O 8 HOH 77 677 97 HOH HOH A . O 8 HOH 78 678 77 HOH HOH A . O 8 HOH 79 679 106 HOH HOH A . O 8 HOH 80 680 6 HOH HOH A . O 8 HOH 81 681 123 HOH HOH A . O 8 HOH 82 682 66 HOH HOH A . O 8 HOH 83 683 62 HOH HOH A . O 8 HOH 84 684 247 HOH HOH A . O 8 HOH 85 685 81 HOH HOH A . O 8 HOH 86 686 219 HOH HOH A . O 8 HOH 87 687 220 HOH HOH A . O 8 HOH 88 688 104 HOH HOH A . O 8 HOH 89 689 21 HOH HOH A . O 8 HOH 90 690 110 HOH HOH A . O 8 HOH 91 691 261 HOH HOH A . O 8 HOH 92 692 175 HOH HOH A . O 8 HOH 93 693 154 HOH HOH A . O 8 HOH 94 694 63 HOH HOH A . O 8 HOH 95 695 16 HOH HOH A . O 8 HOH 96 696 178 HOH HOH A . O 8 HOH 97 697 96 HOH HOH A . O 8 HOH 98 698 221 HOH HOH A . O 8 HOH 99 699 231 HOH HOH A . O 8 HOH 100 700 107 HOH HOH A . O 8 HOH 101 701 11 HOH HOH A . O 8 HOH 102 702 116 HOH HOH A . O 8 HOH 103 703 28 HOH HOH A . O 8 HOH 104 704 53 HOH HOH A . O 8 HOH 105 705 232 HOH HOH A . O 8 HOH 106 706 40 HOH HOH A . O 8 HOH 107 707 212 HOH HOH A . O 8 HOH 108 708 179 HOH HOH A . O 8 HOH 109 709 128 HOH HOH A . O 8 HOH 110 710 262 HOH HOH A . O 8 HOH 111 711 161 HOH HOH A . O 8 HOH 112 712 58 HOH HOH A . O 8 HOH 113 713 158 HOH HOH A . O 8 HOH 114 714 34 HOH HOH A . O 8 HOH 115 715 57 HOH HOH A . O 8 HOH 116 716 197 HOH HOH A . O 8 HOH 117 717 139 HOH HOH A . O 8 HOH 118 718 60 HOH HOH A . O 8 HOH 119 719 82 HOH HOH A . O 8 HOH 120 720 105 HOH HOH A . O 8 HOH 121 721 164 HOH HOH A . O 8 HOH 122 722 50 HOH HOH A . O 8 HOH 123 723 126 HOH HOH A . O 8 HOH 124 724 72 HOH HOH A . O 8 HOH 125 725 95 HOH HOH A . O 8 HOH 126 726 186 HOH HOH A . O 8 HOH 127 727 90 HOH HOH A . O 8 HOH 128 728 214 HOH HOH A . O 8 HOH 129 729 199 HOH HOH A . O 8 HOH 130 730 213 HOH HOH A . O 8 HOH 131 731 100 HOH HOH A . O 8 HOH 132 732 49 HOH HOH A . O 8 HOH 133 733 120 HOH HOH A . O 8 HOH 134 734 222 HOH HOH A . O 8 HOH 135 735 256 HOH HOH A . O 8 HOH 136 736 114 HOH HOH A . O 8 HOH 137 737 165 HOH HOH A . O 8 HOH 138 738 118 HOH HOH A . O 8 HOH 139 739 14 HOH HOH A . O 8 HOH 140 740 200 HOH HOH A . O 8 HOH 141 741 20 HOH HOH A . O 8 HOH 142 742 78 HOH HOH A . O 8 HOH 143 743 23 HOH HOH A . O 8 HOH 144 744 218 HOH HOH A . O 8 HOH 145 745 113 HOH HOH A . O 8 HOH 146 746 7 HOH HOH A . O 8 HOH 147 747 124 HOH HOH A . O 8 HOH 148 748 2 HOH HOH A . O 8 HOH 149 749 112 HOH HOH A . O 8 HOH 150 750 252 HOH HOH A . O 8 HOH 151 751 147 HOH HOH A . O 8 HOH 152 752 153 HOH HOH A . O 8 HOH 153 753 134 HOH HOH A . O 8 HOH 154 754 176 HOH HOH A . O 8 HOH 155 755 245 HOH HOH A . O 8 HOH 156 756 187 HOH HOH A . O 8 HOH 157 757 211 HOH HOH A . O 8 HOH 158 758 159 HOH HOH A . O 8 HOH 159 759 259 HOH HOH A . O 8 HOH 160 760 215 HOH HOH A . O 8 HOH 161 761 42 HOH HOH A . O 8 HOH 162 762 44 HOH HOH A . O 8 HOH 163 763 37 HOH HOH A . O 8 HOH 164 764 47 HOH HOH A . O 8 HOH 165 765 52 HOH HOH A . O 8 HOH 166 766 257 HOH HOH A . O 8 HOH 167 767 174 HOH HOH A . O 8 HOH 168 768 26 HOH HOH A . O 8 HOH 169 769 210 HOH HOH A . O 8 HOH 170 770 73 HOH HOH A . O 8 HOH 171 771 67 HOH HOH A . O 8 HOH 172 772 83 HOH HOH A . O 8 HOH 173 773 201 HOH HOH A . O 8 HOH 174 774 177 HOH HOH A . O 8 HOH 175 775 233 HOH HOH A . O 8 HOH 176 776 240 HOH HOH A . O 8 HOH 177 777 189 HOH HOH A . O 8 HOH 178 778 151 HOH HOH A . O 8 HOH 179 779 19 HOH HOH A . O 8 HOH 180 780 27 HOH HOH A . O 8 HOH 181 781 143 HOH HOH A . O 8 HOH 182 782 162 HOH HOH A . O 8 HOH 183 783 56 HOH HOH A . O 8 HOH 184 784 122 HOH HOH A . O 8 HOH 185 785 103 HOH HOH A . O 8 HOH 186 786 242 HOH HOH A . O 8 HOH 187 787 3 HOH HOH A . O 8 HOH 188 788 140 HOH HOH A . O 8 HOH 189 789 12 HOH HOH A . O 8 HOH 190 790 91 HOH HOH A . O 8 HOH 191 791 265 HOH HOH A . O 8 HOH 192 792 203 HOH HOH A . O 8 HOH 193 793 237 HOH HOH A . O 8 HOH 194 794 171 HOH HOH A . O 8 HOH 195 795 115 HOH HOH A . O 8 HOH 196 796 45 HOH HOH A . O 8 HOH 197 797 87 HOH HOH A . O 8 HOH 198 798 89 HOH HOH A . O 8 HOH 199 799 191 HOH HOH A . O 8 HOH 200 800 234 HOH HOH A . O 8 HOH 201 801 141 HOH HOH A . O 8 HOH 202 802 181 HOH HOH A . O 8 HOH 203 803 74 HOH HOH A . O 8 HOH 204 804 190 HOH HOH A . O 8 HOH 205 805 10 HOH HOH A . O 8 HOH 206 806 156 HOH HOH A . O 8 HOH 207 807 135 HOH HOH A . O 8 HOH 208 808 188 HOH HOH A . O 8 HOH 209 809 65 HOH HOH A . O 8 HOH 210 810 182 HOH HOH A . O 8 HOH 211 811 121 HOH HOH A . O 8 HOH 212 812 230 HOH HOH A . O 8 HOH 213 813 136 HOH HOH A . O 8 HOH 214 814 127 HOH HOH A . O 8 HOH 215 815 137 HOH HOH A . O 8 HOH 216 816 88 HOH HOH A . O 8 HOH 217 817 243 HOH HOH A . O 8 HOH 218 818 8 HOH HOH A . O 8 HOH 219 819 39 HOH HOH A . O 8 HOH 220 820 129 HOH HOH A . O 8 HOH 221 821 98 HOH HOH A . O 8 HOH 222 822 226 HOH HOH A . O 8 HOH 223 823 208 HOH HOH A . O 8 HOH 224 824 51 HOH HOH A . O 8 HOH 225 825 166 HOH HOH A . O 8 HOH 226 826 155 HOH HOH A . O 8 HOH 227 827 229 HOH HOH A . O 8 HOH 228 828 5 HOH HOH A . O 8 HOH 229 829 109 HOH HOH A . O 8 HOH 230 830 152 HOH HOH A . O 8 HOH 231 831 55 HOH HOH A . O 8 HOH 232 832 183 HOH HOH A . O 8 HOH 233 833 236 HOH HOH A . O 8 HOH 234 834 33 HOH HOH A . O 8 HOH 235 835 244 HOH HOH A . O 8 HOH 236 836 204 HOH HOH A . O 8 HOH 237 837 71 HOH HOH A . O 8 HOH 238 838 93 HOH HOH A . O 8 HOH 239 839 148 HOH HOH A . O 8 HOH 240 840 64 HOH HOH A . O 8 HOH 241 841 193 HOH HOH A . O 8 HOH 242 842 248 HOH HOH A . O 8 HOH 243 843 192 HOH HOH A . O 8 HOH 244 844 79 HOH HOH A . O 8 HOH 245 845 194 HOH HOH 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 dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 8570 ? 1 MORE -5 ? 1 'SSA (A^2)' 21470 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 3_655 -x+1,y,-z+1/2 -1.0000000000 0.0000000000 0.0000000000 64.1580000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 28.2780000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 713 ? O HOH . 2 1 A HOH 768 ? O HOH . # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2017-03-29 # _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_ _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 ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0049 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 LEU _pdbx_validate_close_contact.auth_seq_id_1 274 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 601 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.17 # 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 MET A 381 ? ? -67.94 2.43 2 1 GLN A 442 ? ? -67.41 4.71 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 844 ? 6.14 . 2 1 O ? A HOH 845 ? 6.78 . # 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 LYS 269 ? CD ? A LYS 11 CD 2 1 Y 1 A LYS 269 ? CE ? A LYS 11 CE 3 1 Y 1 A LYS 269 ? NZ ? A LYS 11 NZ 4 1 Y 1 A LYS 271 ? CE ? A LYS 13 CE 5 1 Y 1 A LYS 271 ? NZ ? A LYS 13 NZ 6 1 Y 1 A MET 275 ? CE ? A MET 17 CE 7 1 Y 1 A ILE 276 ? CG1 ? A ILE 18 CG1 8 1 Y 1 A ILE 276 ? CG2 ? A ILE 18 CG2 9 1 Y 1 A ILE 276 ? CD1 ? A ILE 18 CD1 10 1 Y 1 A ARG 278 ? CZ ? A ARG 20 CZ 11 1 Y 1 A ARG 278 ? NH1 ? A ARG 20 NH1 12 1 Y 1 A ARG 278 ? NH2 ? A ARG 20 NH2 13 1 Y 1 A GLU 292 ? CG ? A GLU 34 CG 14 1 Y 1 A GLU 292 ? CD ? A GLU 34 CD 15 1 Y 1 A GLU 292 ? OE1 ? A GLU 34 OE1 16 1 Y 1 A GLU 292 ? OE2 ? A GLU 34 OE2 17 1 Y 1 A GLU 295 ? CG ? A GLU 37 CG 18 1 Y 1 A GLU 295 ? CD ? A GLU 37 CD 19 1 Y 1 A GLU 295 ? OE1 ? A GLU 37 OE1 20 1 Y 1 A GLU 295 ? OE2 ? A GLU 37 OE2 21 1 Y 1 A LYS 297 ? NZ ? A LYS 39 NZ 22 1 Y 1 A GLN 334 ? CG ? A GLN 76 CG 23 1 Y 1 A GLN 334 ? CD ? A GLN 76 CD 24 1 Y 1 A GLN 334 ? OE1 ? A GLN 76 OE1 25 1 Y 1 A GLN 334 ? NE2 ? A GLN 76 NE2 26 1 Y 1 A LYS 349 ? CG ? A LYS 91 CG 27 1 Y 1 A LYS 349 ? CD ? A LYS 91 CD 28 1 Y 1 A LYS 349 ? CE ? A LYS 91 CE 29 1 Y 1 A LYS 349 ? NZ ? A LYS 91 NZ 30 1 Y 1 A LYS 363 ? NZ ? A LYS 105 NZ 31 1 Y 1 A ARG 378 ? CG ? A ARG 120 CG 32 1 Y 1 A ARG 378 ? CD ? A ARG 120 CD 33 1 Y 1 A ARG 378 ? NE ? A ARG 120 NE 34 1 Y 1 A ARG 378 ? CZ ? A ARG 120 CZ 35 1 Y 1 A ARG 378 ? NH1 ? A ARG 120 NH1 36 1 Y 1 A ARG 378 ? NH2 ? A ARG 120 NH2 37 1 Y 1 A LYS 383 ? CE ? A LYS 125 CE 38 1 Y 1 A LYS 383 ? NZ ? A LYS 125 NZ 39 1 Y 1 A HIS 456 ? CG ? A HIS 198 CG 40 1 Y 1 A HIS 456 ? ND1 ? A HIS 198 ND1 41 1 Y 1 A HIS 456 ? CD2 ? A HIS 198 CD2 42 1 Y 1 A HIS 456 ? CE1 ? A HIS 198 CE1 43 1 Y 1 A HIS 456 ? NE2 ? A HIS 198 NE2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 BETA-D-GALACTOSE GAL 6 'SULFATE ION' SO4 7 'ACETATE ION' ACT 8 water HOH #