data_4J12 # _entry.id 4J12 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.295 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4J12 RCSB RCSB077461 WWPDB D_1000077461 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4J12 _pdbx_database_status.recvd_initial_deposition_date 2013-01-31 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _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 _audit_author.identifier_ORCID 'Ishino, T.' 1 ? 'Wang, M.' 2 ? 'Mosyak, L.' 3 ? 'Tam, A.' 4 ? 'Duan, W.' 5 ? 'Svenson, K.' 6 ? 'Joyce, A.' 7 ? ;O'Hara, D. ; 8 ? 'Lin, L.' 9 ? 'Somers, W.' 10 ? 'Kriz, R.' 11 ? # _citation.id primary _citation.title 'Engineering a Monomeric Fc Domain Modality by N-Glycosylation for the Half-life Extension of Biotherapeutics.' _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 288 _citation.page_first 16529 _citation.page_last 16537 _citation.year 2013 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23615911 _citation.pdbx_database_id_DOI 10.1074/jbc.M113.457689 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ishino, T.' 1 primary 'Wang, M.' 2 primary 'Mosyak, L.' 3 primary 'Tam, A.' 4 primary 'Duan, W.' 5 primary 'Svenson, K.' 6 primary 'Joyce, A.' 7 primary ;O'Hara, D.M. ; 8 primary 'Lin, L.' 9 primary 'Somers, W.S.' 10 primary 'Kriz, R.' 11 # _cell.entry_id 4J12 _cell.length_a 64.224 _cell.length_b 64.224 _cell.length_c 146.937 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4J12 _symmetry.space_group_name_H-M 'P 31 1 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 151 _symmetry.space_group_name_Hall ? # 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 'human Fc fragment' 23787.768 1 ? 'N130S, N173Y, T175K' 'unp residues 137-345' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 water nat water 18.015 159 ? ? ? ? # _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 ;NGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWL NGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVNLTCLVKGFYPSDIAVEWESNGQPENNYKTT PPVLDSDGSFFLNSTLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _entity_poly.pdbx_seq_one_letter_code_can ;NGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWL NGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVNLTCLVKGFYPSDIAVEWESNGQPENNYKTT PPVLDSDGSFFLNSTLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _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 ASN n 1 2 GLY n 1 3 GLY n 1 4 PRO n 1 5 SER n 1 6 VAL n 1 7 PHE n 1 8 LEU n 1 9 PHE n 1 10 PRO n 1 11 PRO n 1 12 LYS n 1 13 PRO n 1 14 LYS n 1 15 ASP n 1 16 THR n 1 17 LEU n 1 18 MET n 1 19 ILE n 1 20 SER n 1 21 ARG n 1 22 THR n 1 23 PRO n 1 24 GLU n 1 25 VAL n 1 26 THR n 1 27 CYS n 1 28 VAL n 1 29 VAL n 1 30 VAL n 1 31 ASP n 1 32 VAL n 1 33 SER n 1 34 HIS n 1 35 GLU n 1 36 ASP n 1 37 PRO n 1 38 GLU n 1 39 VAL n 1 40 LYS n 1 41 PHE n 1 42 ASN n 1 43 TRP n 1 44 TYR n 1 45 VAL n 1 46 ASP n 1 47 GLY n 1 48 VAL n 1 49 GLU n 1 50 VAL n 1 51 HIS n 1 52 ASN n 1 53 ALA n 1 54 LYS n 1 55 THR n 1 56 LYS n 1 57 PRO n 1 58 ARG n 1 59 GLU n 1 60 GLU n 1 61 GLN n 1 62 TYR n 1 63 ASN n 1 64 SER n 1 65 THR n 1 66 TYR n 1 67 ARG n 1 68 VAL n 1 69 VAL n 1 70 SER n 1 71 VAL n 1 72 LEU n 1 73 THR n 1 74 VAL n 1 75 LEU n 1 76 HIS n 1 77 GLN n 1 78 ASP n 1 79 TRP n 1 80 LEU n 1 81 ASN n 1 82 GLY n 1 83 LYS n 1 84 GLU n 1 85 TYR n 1 86 LYS n 1 87 CYS n 1 88 LYS n 1 89 VAL n 1 90 SER n 1 91 ASN n 1 92 LYS n 1 93 ALA n 1 94 LEU n 1 95 PRO n 1 96 ALA n 1 97 PRO n 1 98 ILE n 1 99 GLU n 1 100 LYS n 1 101 THR n 1 102 ILE n 1 103 SER n 1 104 LYS n 1 105 ALA n 1 106 LYS n 1 107 GLY n 1 108 GLN n 1 109 PRO n 1 110 ARG n 1 111 GLU n 1 112 PRO n 1 113 GLN n 1 114 VAL n 1 115 TYR n 1 116 THR n 1 117 LEU n 1 118 PRO n 1 119 PRO n 1 120 SER n 1 121 ARG n 1 122 GLU n 1 123 GLU n 1 124 MET n 1 125 THR n 1 126 LYS n 1 127 ASN n 1 128 GLN n 1 129 VAL n 1 130 ASN n 1 131 LEU n 1 132 THR n 1 133 CYS n 1 134 LEU n 1 135 VAL n 1 136 LYS n 1 137 GLY n 1 138 PHE n 1 139 TYR n 1 140 PRO n 1 141 SER n 1 142 ASP n 1 143 ILE n 1 144 ALA n 1 145 VAL n 1 146 GLU n 1 147 TRP n 1 148 GLU n 1 149 SER n 1 150 ASN n 1 151 GLY n 1 152 GLN n 1 153 PRO n 1 154 GLU n 1 155 ASN n 1 156 ASN n 1 157 TYR n 1 158 LYS n 1 159 THR n 1 160 THR n 1 161 PRO n 1 162 PRO n 1 163 VAL n 1 164 LEU n 1 165 ASP n 1 166 SER n 1 167 ASP n 1 168 GLY n 1 169 SER n 1 170 PHE n 1 171 PHE n 1 172 LEU n 1 173 ASN n 1 174 SER n 1 175 THR n 1 176 LEU n 1 177 THR n 1 178 VAL n 1 179 ASP n 1 180 LYS n 1 181 SER n 1 182 ARG n 1 183 TRP n 1 184 GLN n 1 185 GLN n 1 186 GLY n 1 187 ASN n 1 188 VAL n 1 189 PHE n 1 190 SER n 1 191 CYS n 1 192 SER n 1 193 VAL n 1 194 MET n 1 195 HIS n 1 196 GLU n 1 197 ALA n 1 198 LEU n 1 199 HIS n 1 200 ASN n 1 201 HIS n 1 202 TYR n 1 203 THR n 1 204 GLN n 1 205 LYS n 1 206 SER n 1 207 LEU n 1 208 SER n 1 209 LEU n 1 210 SER n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name '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 'homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line HEK293 _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 Q6PYX1_HUMAN _struct_ref.pdbx_db_accession Q6PYX1 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLN GKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTP PVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _struct_ref.pdbx_align_begin 137 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4J12 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 2 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 210 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q6PYX1 _struct_ref_seq.db_align_beg 137 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 345 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 236 _struct_ref_seq.pdbx_auth_seq_align_end 444 # 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 4J12 ASN A 1 ? UNP Q6PYX1 ? ? 'EXPRESSION TAG' 235 1 1 4J12 ASN A 130 ? UNP Q6PYX1 SER 265 'ENGINEERED MUTATION' 364 2 1 4J12 ASN A 173 ? UNP Q6PYX1 TYR 308 'ENGINEERED MUTATION' 407 3 1 4J12 THR A 175 ? UNP Q6PYX1 LYS 310 'ENGINEERED MUTATION' 409 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4J12 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.68 _exptl_crystal.density_percent_sol 66.55 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method EVAPORATION _exptl_crystal_grow.temp 300 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5 _exptl_crystal_grow.pdbx_details '2.2 Mammonium sulfate and 200 mM sodium fluoride , pH 5, EVAPORATION, temperature 300K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 270 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 17-BM' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 17-BM _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.000 # _reflns.entry_id 4J12 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.9 _reflns.number_obs 26861 _reflns.number_all 26861 _reflns.percent_possible_obs 96.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate 39.82 _reflns.pdbx_redundancy ? _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 4J12 _refine.ls_number_reflns_obs 26861 _refine.ls_number_reflns_all 26861 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 32.11 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs 96.89 _refine.ls_R_factor_obs 0.2230 _refine.ls_R_factor_all 0.2230 _refine.ls_R_factor_R_work 0.2222 _refine.ls_R_factor_R_free 0.2380 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.91 _refine.ls_number_reflns_R_free 1319 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9495 _refine.correlation_coeff_Fo_to_Fc_free 0.9426 _refine.B_iso_mean 49.35 _refine.aniso_B[1][1] -0.5078 _refine.aniso_B[2][2] -0.5078 _refine.aniso_B[3][3] 1.0155 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI 0.136 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 4J12 _refine_analyze.Luzzati_coordinate_error_obs 0.308 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1665 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 103 _refine_hist.number_atoms_solvent 159 _refine_hist.number_atoms_total 1927 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 32.11 # 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_restraint_function _refine_ls_restr.pdbx_refine_id t_bond_d 0.009 ? 2.00 1834 HARMONIC 'X-RAY DIFFRACTION' t_angle_deg 1.15 ? 2.00 2515 HARMONIC 'X-RAY DIFFRACTION' t_dihedral_angle_d ? ? 2.00 599 SINUSOIDAL 'X-RAY DIFFRACTION' t_incorr_chiral_ct ? ? ? ? ? 'X-RAY DIFFRACTION' t_pseud_angle ? ? ? ? ? 'X-RAY DIFFRACTION' t_trig_c_planes ? ? 2.00 51 HARMONIC 'X-RAY DIFFRACTION' t_gen_planes ? ? 5.00 253 HARMONIC 'X-RAY DIFFRACTION' t_it ? ? 20.00 1834 HARMONIC 'X-RAY DIFFRACTION' t_nbd ? ? ? ? ? 'X-RAY DIFFRACTION' t_omega_torsion 3.18 ? ? ? ? 'X-RAY DIFFRACTION' t_other_torsion 17.20 ? ? ? ? 'X-RAY DIFFRACTION' t_improper_torsion ? ? ? ? ? 'X-RAY DIFFRACTION' t_chiral_improper_torsion ? ? 5.00 256 SEMIHARMONIC 'X-RAY DIFFRACTION' t_sum_occupancies ? ? ? ? ? 'X-RAY DIFFRACTION' t_utility_distance ? ? ? ? ? 'X-RAY DIFFRACTION' t_utility_angle ? ? ? ? ? 'X-RAY DIFFRACTION' t_utility_torsion ? ? ? ? ? 'X-RAY DIFFRACTION' t_ideal_dist_contact ? ? 4.00 2059 SEMIHARMONIC 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 13 _refine_ls_shell.d_res_high 1.90 _refine_ls_shell.d_res_low 1.98 _refine_ls_shell.number_reflns_R_work 2276 _refine_ls_shell.R_factor_R_work 0.2519 _refine_ls_shell.percent_reflns_obs 96.89 _refine_ls_shell.R_factor_R_free 0.2389 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 4.73 _refine_ls_shell.number_reflns_R_free 113 _refine_ls_shell.number_reflns_all 2389 _refine_ls_shell.R_factor_all 0.2513 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4J12 _struct.title 'monomeric Fc' _struct.pdbx_descriptor 'Hepatitis B virus receptor binding protein' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4J12 _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'immunoglobulin fold, 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 2 ? J N N 5 ? # 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 1 LYS A 12 ? MET A 18 ? LYS A 246 MET A 252 1 ? 7 HELX_P HELX_P2 2 LEU A 75 ? ASN A 81 ? LEU A 309 ASN A 315 1 ? 7 HELX_P HELX_P3 3 SER A 120 ? THR A 125 ? SER A 354 THR A 359 1 ? 6 HELX_P HELX_P4 4 LYS A 180 ? GLN A 185 ? LYS A 414 GLN A 419 1 ? 6 HELX_P HELX_P5 5 LEU A 198 ? ASN A 200 ? LEU A 432 ASN A 434 5 ? 3 # _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 27 SG ? ? ? 1_555 A CYS 87 SG ? ? A CYS 261 A CYS 321 1_555 ? ? ? ? ? ? ? 2.025 ? disulf2 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 367 A CYS 425 1_555 ? ? ? ? ? ? ? 2.028 ? covale1 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.402 ? covale2 covale ? ? D BMA . O6 ? ? ? 1_555 G MAN . C1 ? ? A BMA 503 A MAN 506 1_555 ? ? ? ? ? ? ? 1.403 ? covale3 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.403 ? covale4 covale ? ? A ASN 130 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 364 A NAG 508 1_555 ? ? ? ? ? ? ? 1.403 ? covale5 covale ? ? G MAN . O2 ? ? ? 1_555 H NAG . C1 ? ? A MAN 506 A NAG 507 1_555 ? ? ? ? ? ? ? 1.409 ? covale6 covale ? ? D BMA . O3 ? ? ? 1_555 E MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.416 ? covale7 covale ? ? E MAN . O2 ? ? ? 1_555 F NAG . C1 ? ? A MAN 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.423 ? covale8 covale ? ? A ASN 63 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 297 A NAG 501 1_555 ? ? ? ? ? ? ? 1.428 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 2 A . ? GLY 236 A GLY 3 A ? GLY 237 A 1 1.05 2 TYR 139 A . ? TYR 373 A PRO 140 A ? PRO 374 A 1 -3.29 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 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 A 1 SER A 5 ? PHE A 9 ? SER A 239 PHE A 243 A 2 GLU A 24 ? VAL A 32 ? GLU A 258 VAL A 266 A 3 TYR A 66 ? THR A 73 ? TYR A 300 THR A 307 A 4 LYS A 54 ? THR A 55 ? LYS A 288 THR A 289 B 1 SER A 5 ? PHE A 9 ? SER A 239 PHE A 243 B 2 GLU A 24 ? VAL A 32 ? GLU A 258 VAL A 266 B 3 TYR A 66 ? THR A 73 ? TYR A 300 THR A 307 B 4 GLU A 59 ? GLU A 60 ? GLU A 293 GLU A 294 C 1 VAL A 48 ? VAL A 50 ? VAL A 282 VAL A 284 C 2 LYS A 40 ? VAL A 45 ? LYS A 274 VAL A 279 C 3 TYR A 85 ? SER A 90 ? TYR A 319 SER A 324 C 4 ILE A 98 ? ILE A 102 ? ILE A 332 ILE A 336 D 1 GLN A 113 ? LEU A 117 ? GLN A 347 LEU A 351 D 2 GLN A 128 ? PHE A 138 ? GLN A 362 PHE A 372 D 3 PHE A 170 ? ASP A 179 ? PHE A 404 ASP A 413 D 4 TYR A 157 ? THR A 159 ? TYR A 391 THR A 393 E 1 GLN A 113 ? LEU A 117 ? GLN A 347 LEU A 351 E 2 GLN A 128 ? PHE A 138 ? GLN A 362 PHE A 372 E 3 PHE A 170 ? ASP A 179 ? PHE A 404 ASP A 413 E 4 VAL A 163 ? LEU A 164 ? VAL A 397 LEU A 398 F 1 GLN A 152 ? GLU A 154 ? GLN A 386 GLU A 388 F 2 ALA A 144 ? SER A 149 ? ALA A 378 SER A 383 F 3 PHE A 189 ? MET A 194 ? PHE A 423 MET A 428 F 4 TYR A 202 ? LEU A 207 ? TYR A 436 LEU A 441 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N PHE A 7 ? N PHE A 241 O VAL A 28 ? O VAL A 262 A 2 3 N VAL A 25 ? N VAL A 259 O LEU A 72 ? O LEU A 306 A 3 4 O VAL A 71 ? O VAL A 305 N LYS A 54 ? N LYS A 288 B 1 2 N PHE A 7 ? N PHE A 241 O VAL A 28 ? O VAL A 262 B 2 3 N VAL A 25 ? N VAL A 259 O LEU A 72 ? O LEU A 306 B 3 4 O ARG A 67 ? O ARG A 301 N GLU A 59 ? N GLU A 293 C 1 2 O VAL A 48 ? O VAL A 282 N VAL A 45 ? N VAL A 279 C 2 3 N ASN A 42 ? N ASN A 276 O LYS A 88 ? O LYS A 322 C 3 4 N VAL A 89 ? N VAL A 323 O ILE A 98 ? O ILE A 332 D 1 2 N TYR A 115 ? N TYR A 349 O LEU A 134 ? O LEU A 368 D 2 3 N VAL A 129 ? N VAL A 363 O VAL A 178 ? O VAL A 412 D 3 4 O THR A 175 ? O THR A 409 N LYS A 158 ? N LYS A 392 E 1 2 N TYR A 115 ? N TYR A 349 O LEU A 134 ? O LEU A 368 E 2 3 N VAL A 129 ? N VAL A 363 O VAL A 178 ? O VAL A 412 E 3 4 O PHE A 171 ? O PHE A 405 N VAL A 163 ? N VAL A 397 F 1 2 O GLN A 152 ? O GLN A 386 N SER A 149 ? N SER A 383 F 2 3 N GLU A 148 ? N GLU A 382 O SER A 190 ? O SER A 424 F 3 4 N CYS A 191 ? N CYS A 425 O LYS A 205 ? O LYS A 439 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 503' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 504' AC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 505' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 506' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 507' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 508' # 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 5 VAL A 30 ? VAL A 264 . ? 1_555 ? 2 AC1 5 ASP A 31 ? ASP A 265 . ? 1_555 ? 3 AC1 5 GLN A 61 ? GLN A 295 . ? 1_555 ? 4 AC1 5 ASN A 63 ? ASN A 297 . ? 1_555 ? 5 AC1 5 NAG C . ? NAG A 502 . ? 1_555 ? 6 AC2 7 VAL A 30 ? VAL A 264 . ? 1_555 ? 7 AC2 7 ARG A 67 ? ARG A 301 . ? 1_555 ? 8 AC2 7 NAG B . ? NAG A 501 . ? 1_555 ? 9 AC2 7 BMA D . ? BMA A 503 . ? 1_555 ? 10 AC2 7 MAN G . ? MAN A 506 . ? 1_555 ? 11 AC2 7 HOH J . ? HOH A 683 . ? 1_555 ? 12 AC2 7 HOH J . ? HOH A 755 . ? 1_555 ? 13 AC3 5 PHE A 9 ? PHE A 243 . ? 1_555 ? 14 AC3 5 NAG C . ? NAG A 502 . ? 1_555 ? 15 AC3 5 MAN E . ? MAN A 504 . ? 1_555 ? 16 AC3 5 MAN G . ? MAN A 506 . ? 1_555 ? 17 AC3 5 HOH J . ? HOH A 715 . ? 1_555 ? 18 AC4 3 PHE A 7 ? PHE A 241 . ? 1_555 ? 19 AC4 3 BMA D . ? BMA A 503 . ? 1_555 ? 20 AC4 3 NAG F . ? NAG A 505 . ? 1_555 ? 21 AC5 1 MAN E . ? MAN A 504 . ? 1_555 ? 22 AC6 5 PHE A 9 ? PHE A 243 . ? 1_555 ? 23 AC6 5 NAG C . ? NAG A 502 . ? 1_555 ? 24 AC6 5 BMA D . ? BMA A 503 . ? 1_555 ? 25 AC6 5 NAG H . ? NAG A 507 . ? 1_555 ? 26 AC6 5 HOH J . ? HOH A 755 . ? 1_555 ? 27 AC7 6 PHE A 9 ? PHE A 243 . ? 1_555 ? 28 AC7 6 LYS A 12 ? LYS A 246 . ? 1_555 ? 29 AC7 6 THR A 26 ? THR A 260 . ? 1_555 ? 30 AC7 6 ARG A 67 ? ARG A 301 . ? 1_555 ? 31 AC7 6 MAN G . ? MAN A 506 . ? 1_555 ? 32 AC7 6 HOH J . ? HOH A 642 . ? 1_555 ? 33 AC8 3 GLN A 128 ? GLN A 362 . ? 1_555 ? 34 AC8 3 ASN A 130 ? ASN A 364 . ? 1_555 ? 35 AC8 3 THR A 177 ? THR A 411 . ? 1_555 ? # _database_PDB_matrix.entry_id 4J12 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4J12 _atom_sites.fract_transf_matrix[1][1] 0.015571 _atom_sites.fract_transf_matrix[1][2] 0.008990 _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] 0.017979 _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] 0.006806 _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 2 ? -52.575 -4.730 -23.281 1.00 64.99 ? 236 GLY A N 1 ATOM 2 C CA . GLY A 1 2 ? -51.340 -5.471 -23.503 1.00 64.12 ? 236 GLY A CA 1 ATOM 3 C C . GLY A 1 2 ? -50.214 -4.628 -24.081 1.00 64.81 ? 236 GLY A C 1 ATOM 4 O O . GLY A 1 2 ? -50.393 -3.973 -25.114 1.00 64.53 ? 236 GLY A O 1 ATOM 5 N N . GLY A 1 3 ? -49.052 -4.633 -23.426 1.00 57.07 ? 237 GLY A N 1 ATOM 6 C CA . GLY A 1 3 ? -48.799 -5.408 -22.217 1.00 54.25 ? 237 GLY A CA 1 ATOM 7 C C . GLY A 1 3 ? -47.503 -5.061 -21.507 1.00 51.06 ? 237 GLY A C 1 ATOM 8 O O . GLY A 1 3 ? -46.787 -4.160 -21.939 1.00 48.79 ? 237 GLY A O 1 ATOM 9 N N . PRO A 1 4 ? -47.179 -5.762 -20.401 1.00 44.77 ? 238 PRO A N 1 ATOM 10 C CA . PRO A 1 4 ? -45.944 -5.432 -19.661 1.00 43.62 ? 238 PRO A CA 1 ATOM 11 C C . PRO A 1 4 ? -44.641 -5.833 -20.341 1.00 43.47 ? 238 PRO A C 1 ATOM 12 O O . PRO A 1 4 ? -44.634 -6.741 -21.176 1.00 42.43 ? 238 PRO A O 1 ATOM 13 C CB . PRO A 1 4 ? -46.128 -6.126 -18.313 1.00 45.36 ? 238 PRO A CB 1 ATOM 14 C CG . PRO A 1 4 ? -47.101 -7.182 -18.548 1.00 49.78 ? 238 PRO A CG 1 ATOM 15 C CD . PRO A 1 4 ? -47.936 -6.842 -19.740 1.00 45.42 ? 238 PRO A CD 1 ATOM 16 N N . SER A 1 5 ? -43.550 -5.121 -19.984 1.00 37.68 ? 239 SER A N 1 ATOM 17 C CA . SER A 1 5 ? -42.179 -5.303 -20.471 1.00 36.70 ? 239 SER A CA 1 ATOM 18 C C . SER A 1 5 ? -41.273 -5.509 -19.279 1.00 38.28 ? 239 SER A C 1 ATOM 19 O O . SER A 1 5 ? -41.528 -4.943 -18.211 1.00 37.55 ? 239 SER A O 1 ATOM 20 C CB . SER A 1 5 ? -41.706 -4.065 -21.226 1.00 39.80 ? 239 SER A CB 1 ATOM 21 O OG . SER A 1 5 ? -42.298 -4.029 -22.506 1.00 55.08 ? 239 SER A OG 1 ATOM 22 N N . VAL A 1 6 ? -40.212 -6.309 -19.461 1.00 32.72 ? 240 VAL A N 1 ATOM 23 C CA . VAL A 1 6 ? -39.257 -6.637 -18.398 1.00 32.14 ? 240 VAL A CA 1 ATOM 24 C C . VAL A 1 6 ? -37.857 -6.169 -18.768 1.00 33.24 ? 240 VAL A C 1 ATOM 25 O O . VAL A 1 6 ? -37.430 -6.298 -19.920 1.00 31.11 ? 240 VAL A O 1 ATOM 26 C CB . VAL A 1 6 ? -39.292 -8.160 -18.056 1.00 37.21 ? 240 VAL A CB 1 ATOM 27 C CG1 . VAL A 1 6 ? -38.335 -8.512 -16.918 1.00 36.89 ? 240 VAL A CG1 1 ATOM 28 C CG2 . VAL A 1 6 ? -40.702 -8.610 -17.706 1.00 37.55 ? 240 VAL A CG2 1 ATOM 29 N N . PHE A 1 7 ? -37.165 -5.599 -17.788 1.00 30.15 ? 241 PHE A N 1 ATOM 30 C CA . PHE A 1 7 ? -35.782 -5.144 -17.873 1.00 30.36 ? 241 PHE A CA 1 ATOM 31 C C . PHE A 1 7 ? -35.058 -5.709 -16.655 1.00 33.72 ? 241 PHE A C 1 ATOM 32 O O . PHE A 1 7 ? -35.610 -5.681 -15.558 1.00 33.21 ? 241 PHE A O 1 ATOM 33 C CB . PHE A 1 7 ? -35.700 -3.604 -17.947 1.00 31.89 ? 241 PHE A CB 1 ATOM 34 C CG . PHE A 1 7 ? -36.328 -3.122 -19.231 1.00 33.44 ? 241 PHE A CG 1 ATOM 35 C CD1 . PHE A 1 7 ? -37.656 -2.708 -19.261 1.00 35.43 ? 241 PHE A CD1 1 ATOM 36 C CD2 . PHE A 1 7 ? -35.636 -3.212 -20.435 1.00 35.18 ? 241 PHE A CD2 1 ATOM 37 C CE1 . PHE A 1 7 ? -38.267 -2.355 -20.469 1.00 36.89 ? 241 PHE A CE1 1 ATOM 38 C CE2 . PHE A 1 7 ? -36.245 -2.859 -21.641 1.00 37.85 ? 241 PHE A CE2 1 ATOM 39 C CZ . PHE A 1 7 ? -37.553 -2.425 -21.653 1.00 35.92 ? 241 PHE A CZ 1 ATOM 40 N N . LEU A 1 8 ? -33.866 -6.282 -16.864 1.00 29.66 ? 242 LEU A N 1 ATOM 41 C CA . LEU A 1 8 ? -33.066 -6.911 -15.804 1.00 28.41 ? 242 LEU A CA 1 ATOM 42 C C . LEU A 1 8 ? -31.726 -6.199 -15.690 1.00 32.09 ? 242 LEU A C 1 ATOM 43 O O . LEU A 1 8 ? -31.028 -6.067 -16.688 1.00 30.43 ? 242 LEU A O 1 ATOM 44 C CB . LEU A 1 8 ? -32.897 -8.409 -16.131 1.00 27.83 ? 242 LEU A CB 1 ATOM 45 C CG . LEU A 1 8 ? -32.249 -9.298 -15.073 1.00 32.23 ? 242 LEU A CG 1 ATOM 46 C CD1 . LEU A 1 8 ? -33.016 -9.229 -13.730 1.00 31.94 ? 242 LEU A CD1 1 ATOM 47 C CD2 . LEU A 1 8 ? -32.172 -10.708 -15.574 1.00 34.82 ? 242 LEU A CD2 1 ATOM 48 N N . PHE A 1 9 ? -31.384 -5.712 -14.477 1.00 28.96 ? 243 PHE A N 1 ATOM 49 C CA . PHE A 1 9 ? -30.195 -4.908 -14.231 1.00 28.39 ? 243 PHE A CA 1 ATOM 50 C C . PHE A 1 9 ? -29.170 -5.594 -13.367 1.00 32.56 ? 243 PHE A C 1 ATOM 51 O O . PHE A 1 9 ? -29.543 -6.304 -12.425 1.00 31.47 ? 243 PHE A O 1 ATOM 52 C CB . PHE A 1 9 ? -30.581 -3.530 -13.662 1.00 30.73 ? 243 PHE A CB 1 ATOM 53 C CG . PHE A 1 9 ? -31.463 -2.742 -14.608 1.00 33.67 ? 243 PHE A CG 1 ATOM 54 C CD1 . PHE A 1 9 ? -32.844 -2.708 -14.435 1.00 37.64 ? 243 PHE A CD1 1 ATOM 55 C CD2 . PHE A 1 9 ? -30.919 -2.075 -15.699 1.00 36.85 ? 243 PHE A CD2 1 ATOM 56 C CE1 . PHE A 1 9 ? -33.662 -1.981 -15.317 1.00 38.66 ? 243 PHE A CE1 1 ATOM 57 C CE2 . PHE A 1 9 ? -31.734 -1.343 -16.574 1.00 39.86 ? 243 PHE A CE2 1 ATOM 58 C CZ . PHE A 1 9 ? -33.098 -1.301 -16.377 1.00 38.04 ? 243 PHE A CZ 1 ATOM 59 N N . PRO A 1 10 ? -27.865 -5.411 -13.675 1.00 29.59 ? 244 PRO A N 1 ATOM 60 C CA . PRO A 1 10 ? -26.825 -6.069 -12.872 1.00 29.40 ? 244 PRO A CA 1 ATOM 61 C C . PRO A 1 10 ? -26.544 -5.315 -11.565 1.00 30.92 ? 244 PRO A C 1 ATOM 62 O O . PRO A 1 10 ? -27.020 -4.195 -11.407 1.00 29.92 ? 244 PRO A O 1 ATOM 63 C CB . PRO A 1 10 ? -25.602 -6.024 -13.806 1.00 31.04 ? 244 PRO A CB 1 ATOM 64 C CG . PRO A 1 10 ? -25.781 -4.738 -14.563 1.00 35.73 ? 244 PRO A CG 1 ATOM 65 C CD . PRO A 1 10 ? -27.274 -4.593 -14.767 1.00 31.53 ? 244 PRO A CD 1 ATOM 66 N N . PRO A 1 11 ? -25.745 -5.879 -10.633 1.00 28.25 ? 245 PRO A N 1 ATOM 67 C CA . PRO A 1 11 ? -25.396 -5.118 -9.416 1.00 28.37 ? 245 PRO A CA 1 ATOM 68 C C . PRO A 1 11 ? -24.411 -3.982 -9.691 1.00 33.33 ? 245 PRO A C 1 ATOM 69 O O . PRO A 1 11 ? -23.782 -3.955 -10.746 1.00 32.11 ? 245 PRO A O 1 ATOM 70 C CB . PRO A 1 11 ? -24.763 -6.163 -8.498 1.00 30.23 ? 245 PRO A CB 1 ATOM 71 C CG . PRO A 1 11 ? -24.430 -7.304 -9.340 1.00 34.48 ? 245 PRO A CG 1 ATOM 72 C CD . PRO A 1 11 ? -25.119 -7.216 -10.643 1.00 29.96 ? 245 PRO A CD 1 ATOM 73 N N . LYS A 1 12 ? -24.296 -3.039 -8.758 1.00 31.90 ? 246 LYS A N 1 ATOM 74 C CA . LYS A 1 12 ? -23.333 -1.934 -8.869 1.00 32.81 ? 246 LYS A CA 1 ATOM 75 C C . LYS A 1 12 ? -21.914 -2.496 -8.641 1.00 35.83 ? 246 LYS A C 1 ATOM 76 O O . LYS A 1 12 ? -21.756 -3.348 -7.771 1.00 33.44 ? 246 LYS A O 1 ATOM 77 C CB . LYS A 1 12 ? -23.646 -0.832 -7.843 1.00 35.75 ? 246 LYS A CB 1 ATOM 78 C CG . LYS A 1 12 ? -24.766 0.076 -8.322 1.00 57.36 ? 246 LYS A CG 1 ATOM 79 C CD . LYS A 1 12 ? -25.597 0.650 -7.181 1.00 72.22 ? 246 LYS A CD 1 ATOM 80 C CE . LYS A 1 12 ? -27.013 0.109 -7.141 1.00 84.37 ? 246 LYS A CE 1 ATOM 81 N NZ . LYS A 1 12 ? -27.832 0.526 -8.317 1.00 93.28 ? 246 LYS A NZ 1 ATOM 82 N N . PRO A 1 13 ? -20.891 -2.070 -9.422 1.00 34.95 ? 247 PRO A N 1 ATOM 83 C CA . PRO A 1 13 ? -19.526 -2.630 -9.241 1.00 34.39 ? 247 PRO A CA 1 ATOM 84 C C . PRO A 1 13 ? -18.965 -2.565 -7.839 1.00 36.46 ? 247 PRO A C 1 ATOM 85 O O . PRO A 1 13 ? -18.416 -3.570 -7.382 1.00 36.84 ? 247 PRO A O 1 ATOM 86 C CB . PRO A 1 13 ? -18.665 -1.803 -10.198 1.00 36.89 ? 247 PRO A CB 1 ATOM 87 C CG . PRO A 1 13 ? -19.610 -1.299 -11.210 1.00 41.99 ? 247 PRO A CG 1 ATOM 88 C CD . PRO A 1 13 ? -20.922 -1.086 -10.523 1.00 37.22 ? 247 PRO A CD 1 ATOM 89 N N . LYS A 1 14 ? -19.096 -1.407 -7.145 1.00 32.73 ? 248 LYS A N 1 ATOM 90 C CA . LYS A 1 14 ? -18.573 -1.271 -5.780 1.00 33.07 ? 248 LYS A CA 1 ATOM 91 C C . LYS A 1 14 ? -19.256 -2.262 -4.839 1.00 34.73 ? 248 LYS A C 1 ATOM 92 O O . LYS A 1 14 ? -18.608 -2.751 -3.914 1.00 33.60 ? 248 LYS A O 1 ATOM 93 C CB . LYS A 1 14 ? -18.697 0.174 -5.247 1.00 36.57 ? 248 LYS A CB 1 ATOM 94 C CG . LYS A 1 14 ? -17.924 0.454 -3.938 1.00 56.87 ? 248 LYS A CG 1 ATOM 95 C CD . LYS A 1 14 ? -18.003 1.929 -3.500 1.00 68.72 ? 248 LYS A CD 1 ATOM 96 C CE . LYS A 1 14 ? -17.605 2.133 -2.049 1.00 83.01 ? 248 LYS A CE 1 ATOM 97 N NZ . LYS A 1 14 ? -17.896 3.510 -1.555 1.00 94.09 ? 248 LYS A NZ 1 ATOM 98 N N . ASP A 1 15 ? -20.570 -2.534 -5.056 1.00 30.10 ? 249 ASP A N 1 ATOM 99 C CA . ASP A 1 15 ? -21.298 -3.493 -4.213 1.00 28.57 ? 249 ASP A CA 1 ATOM 100 C C . ASP A 1 15 ? -20.706 -4.880 -4.396 1.00 29.01 ? 249 ASP A C 1 ATOM 101 O O . ASP A 1 15 ? -20.583 -5.595 -3.418 1.00 27.79 ? 249 ASP A O 1 ATOM 102 C CB . ASP A 1 15 ? -22.797 -3.522 -4.564 1.00 29.50 ? 249 ASP A CB 1 ATOM 103 C CG . ASP A 1 15 ? -23.569 -2.287 -4.176 1.00 34.57 ? 249 ASP A CG 1 ATOM 104 O OD1 . ASP A 1 15 ? -23.055 -1.502 -3.352 1.00 32.13 ? 249 ASP A OD1 1 ATOM 105 O OD2 . ASP A 1 15 ? -24.704 -2.116 -4.679 1.00 36.63 ? 249 ASP A OD2 1 ATOM 106 N N . THR A 1 16 ? -20.357 -5.265 -5.656 1.00 25.54 ? 250 THR A N 1 ATOM 107 C CA . THR A 1 16 ? -19.756 -6.587 -5.942 1.00 25.36 ? 250 THR A CA 1 ATOM 108 C C . THR A 1 16 ? -18.354 -6.772 -5.339 1.00 31.37 ? 250 THR A C 1 ATOM 109 O O . THR A 1 16 ? -17.960 -7.893 -5.018 1.00 31.28 ? 250 THR A O 1 ATOM 110 C CB . THR A 1 16 ? -19.744 -6.904 -7.452 1.00 29.96 ? 250 THR A CB 1 ATOM 111 O OG1 . THR A 1 16 ? -18.783 -6.104 -8.138 1.00 28.57 ? 250 THR A OG1 1 ATOM 112 C CG2 . THR A 1 16 ? -21.120 -6.755 -8.109 1.00 27.41 ? 250 THR A CG2 1 ATOM 113 N N . LEU A 1 17 ? -17.608 -5.677 -5.195 1.00 29.05 ? 251 LEU A N 1 ATOM 114 C CA . LEU A 1 17 ? -16.209 -5.693 -4.733 1.00 29.00 ? 251 LEU A CA 1 ATOM 115 C C . LEU A 1 17 ? -15.981 -5.427 -3.245 1.00 34.04 ? 251 LEU A C 1 ATOM 116 O O . LEU A 1 17 ? -14.857 -5.572 -2.762 1.00 32.08 ? 251 LEU A O 1 ATOM 117 C CB . LEU A 1 17 ? -15.411 -4.689 -5.582 1.00 28.21 ? 251 LEU A CB 1 ATOM 118 C CG . LEU A 1 17 ? -15.334 -5.007 -7.085 1.00 32.49 ? 251 LEU A CG 1 ATOM 119 C CD1 . LEU A 1 17 ? -15.045 -3.761 -7.896 1.00 32.97 ? 251 LEU A CD1 1 ATOM 120 C CD2 . LEU A 1 17 ? -14.334 -6.125 -7.371 1.00 34.21 ? 251 LEU A CD2 1 ATOM 121 N N . MET A 1 18 ? -17.033 -5.082 -2.516 1.00 33.34 ? 252 MET A N 1 ATOM 122 C CA . MET A 1 18 ? -16.916 -4.762 -1.092 1.00 35.58 ? 252 MET A CA 1 ATOM 123 C C . MET A 1 18 ? -17.731 -5.741 -0.219 1.00 36.40 ? 252 MET A C 1 ATOM 124 O O . MET A 1 18 ? -18.959 -5.780 -0.356 1.00 34.64 ? 252 MET A O 1 ATOM 125 C CB . MET A 1 18 ? -17.395 -3.310 -0.930 1.00 40.33 ? 252 MET A CB 1 ATOM 126 C CG . MET A 1 18 ? -17.278 -2.755 0.444 1.00 48.82 ? 252 MET A CG 1 ATOM 127 S SD . MET A 1 18 ? -15.731 -1.851 0.668 1.00 57.62 ? 252 MET A SD 1 ATOM 128 C CE . MET A 1 18 ? -15.882 -0.645 -0.672 1.00 54.14 ? 252 MET A CE 1 ATOM 129 N N . ILE A 1 19 ? -17.062 -6.502 0.704 1.00 32.10 ? 253 ILE A N 1 ATOM 130 C CA . ILE A 1 19 ? -17.712 -7.488 1.608 1.00 32.39 ? 253 ILE A CA 1 ATOM 131 C C . ILE A 1 19 ? -18.851 -6.912 2.453 1.00 36.27 ? 253 ILE A C 1 ATOM 132 O O . ILE A 1 19 ? -19.742 -7.662 2.834 1.00 37.67 ? 253 ILE A O 1 ATOM 133 C CB . ILE A 1 19 ? -16.723 -8.255 2.554 1.00 35.64 ? 253 ILE A CB 1 ATOM 134 C CG1 . ILE A 1 19 ? -15.902 -7.277 3.445 1.00 36.26 ? 253 ILE A CG1 1 ATOM 135 C CG2 . ILE A 1 19 ? -15.853 -9.265 1.823 1.00 35.67 ? 253 ILE A CG2 1 ATOM 136 C CD1 . ILE A 1 19 ? -14.937 -7.913 4.456 1.00 42.36 ? 253 ILE A CD1 1 ATOM 137 N N . SER A 1 20 ? -18.779 -5.626 2.825 1.00 32.29 ? 254 SER A N 1 ATOM 138 C CA . SER A 1 20 ? -19.802 -5.022 3.685 1.00 31.51 ? 254 SER A CA 1 ATOM 139 C C . SER A 1 20 ? -20.994 -4.531 2.860 1.00 34.81 ? 254 SER A C 1 ATOM 140 O O . SER A 1 20 ? -21.973 -4.070 3.438 1.00 34.81 ? 254 SER A O 1 ATOM 141 C CB . SER A 1 20 ? -19.208 -3.866 4.486 1.00 32.97 ? 254 SER A CB 1 ATOM 142 O OG . SER A 1 20 ? -18.602 -2.926 3.611 1.00 34.03 ? 254 SER A OG 1 ATOM 143 N N . ARG A 1 21 ? -20.912 -4.608 1.516 1.00 30.16 ? 255 ARG A N 1 ATOM 144 C CA . ARG A 1 21 ? -22.007 -4.122 0.672 1.00 29.69 ? 255 ARG A CA 1 ATOM 145 C C . ARG A 1 21 ? -22.902 -5.235 0.143 1.00 32.34 ? 255 ARG A C 1 ATOM 146 O O . ARG A 1 21 ? -22.519 -6.409 0.153 1.00 31.07 ? 255 ARG A O 1 ATOM 147 C CB . ARG A 1 21 ? -21.462 -3.237 -0.460 1.00 30.16 ? 255 ARG A CB 1 ATOM 148 C CG . ARG A 1 21 ? -20.990 -1.864 0.019 1.00 43.03 ? 255 ARG A CG 1 ATOM 149 C CD . ARG A 1 21 ? -20.456 -1.050 -1.133 1.00 58.56 ? 255 ARG A CD 1 ATOM 150 N NE . ARG A 1 21 ? -20.516 0.387 -0.870 1.00 71.11 ? 255 ARG A NE 1 ATOM 151 C CZ . ARG A 1 21 ? -21.033 1.281 -1.708 1.00 88.16 ? 255 ARG A CZ 1 ATOM 152 N NH1 . ARG A 1 21 ? -21.026 2.569 -1.399 1.00 79.56 ? 255 ARG A NH1 1 ATOM 153 N NH2 . ARG A 1 21 ? -21.535 0.893 -2.876 1.00 74.69 ? 255 ARG A NH2 1 ATOM 154 N N . THR A 1 22 ? -24.103 -4.862 -0.333 1.00 29.40 ? 256 THR A N 1 ATOM 155 C CA . THR A 1 22 ? -25.088 -5.823 -0.822 1.00 28.64 ? 256 THR A CA 1 ATOM 156 C C . THR A 1 22 ? -25.254 -5.738 -2.332 1.00 31.02 ? 256 THR A C 1 ATOM 157 O O . THR A 1 22 ? -25.918 -4.811 -2.802 1.00 31.72 ? 256 THR A O 1 ATOM 158 C CB . THR A 1 22 ? -26.427 -5.651 -0.070 1.00 33.65 ? 256 THR A CB 1 ATOM 159 O OG1 . THR A 1 22 ? -26.187 -5.771 1.328 1.00 33.43 ? 256 THR A OG1 1 ATOM 160 C CG2 . THR A 1 22 ? -27.499 -6.669 -0.516 1.00 30.88 ? 256 THR A CG2 1 ATOM 161 N N . PRO A 1 23 ? -24.665 -6.686 -3.101 1.00 27.01 ? 257 PRO A N 1 ATOM 162 C CA . PRO A 1 23 ? -24.835 -6.648 -4.561 1.00 26.94 ? 257 PRO A CA 1 ATOM 163 C C . PRO A 1 23 ? -26.194 -7.243 -4.922 1.00 30.22 ? 257 PRO A C 1 ATOM 164 O O . PRO A 1 23 ? -26.582 -8.282 -4.386 1.00 29.05 ? 257 PRO A O 1 ATOM 165 C CB . PRO A 1 23 ? -23.660 -7.484 -5.083 1.00 28.67 ? 257 PRO A CB 1 ATOM 166 C CG . PRO A 1 23 ? -23.290 -8.392 -3.967 1.00 32.31 ? 257 PRO A CG 1 ATOM 167 C CD . PRO A 1 23 ? -23.803 -7.807 -2.678 1.00 28.26 ? 257 PRO A CD 1 ATOM 168 N N . GLU A 1 24 ? -26.957 -6.532 -5.751 1.00 28.28 ? 258 GLU A N 1 ATOM 169 C CA . GLU A 1 24 ? -28.306 -6.947 -6.092 1.00 28.28 ? 258 GLU A CA 1 ATOM 170 C C . GLU A 1 24 ? -28.571 -6.933 -7.588 1.00 30.07 ? 258 GLU A C 1 ATOM 171 O O . GLU A 1 24 ? -28.155 -6.001 -8.276 1.00 30.24 ? 258 GLU A O 1 ATOM 172 C CB . GLU A 1 24 ? -29.309 -5.990 -5.411 1.00 29.96 ? 258 GLU A CB 1 ATOM 173 C CG . GLU A 1 24 ? -29.360 -6.062 -3.887 1.00 39.06 ? 258 GLU A CG 1 ATOM 174 C CD . GLU A 1 24 ? -29.992 -4.853 -3.219 1.00 57.95 ? 258 GLU A CD 1 ATOM 175 O OE1 . GLU A 1 24 ? -30.055 -3.773 -3.851 1.00 50.81 ? 258 GLU A OE1 1 ATOM 176 O OE2 . GLU A 1 24 ? -30.441 -4.992 -2.060 1.00 60.94 ? 258 GLU A OE2 1 ATOM 177 N N . VAL A 1 25 ? -29.301 -7.945 -8.085 1.00 26.36 ? 259 VAL A N 1 ATOM 178 C CA . VAL A 1 25 ? -29.770 -7.983 -9.467 1.00 26.33 ? 259 VAL A CA 1 ATOM 179 C C . VAL A 1 25 ? -31.235 -7.524 -9.339 1.00 31.54 ? 259 VAL A C 1 ATOM 180 O O . VAL A 1 25 ? -31.968 -8.021 -8.460 1.00 30.08 ? 259 VAL A O 1 ATOM 181 C CB . VAL A 1 25 ? -29.609 -9.364 -10.167 1.00 31.07 ? 259 VAL A CB 1 ATOM 182 C CG1 . VAL A 1 25 ? -30.373 -9.393 -11.473 1.00 31.97 ? 259 VAL A CG1 1 ATOM 183 C CG2 . VAL A 1 25 ? -28.140 -9.689 -10.442 1.00 30.52 ? 259 VAL A CG2 1 ATOM 184 N N . THR A 1 26 ? -31.639 -6.550 -10.182 1.00 28.02 ? 260 THR A N 1 ATOM 185 C CA . THR A 1 26 ? -32.958 -5.925 -10.154 1.00 27.33 ? 260 THR A CA 1 ATOM 186 C C . THR A 1 26 ? -33.776 -6.264 -11.411 1.00 32.39 ? 260 THR A C 1 ATOM 187 O O . THR A 1 26 ? -33.370 -5.917 -12.531 1.00 30.34 ? 260 THR A O 1 ATOM 188 C CB . THR A 1 26 ? -32.796 -4.395 -10.007 1.00 35.74 ? 260 THR A CB 1 ATOM 189 O OG1 . THR A 1 26 ? -31.929 -4.084 -8.921 1.00 33.12 ? 260 THR A OG1 1 ATOM 190 C CG2 . THR A 1 26 ? -34.108 -3.688 -9.807 1.00 35.88 ? 260 THR A CG2 1 ATOM 191 N N . CYS A 1 27 ? -34.954 -6.890 -11.202 1.00 30.03 ? 261 CYS A N 1 ATOM 192 C CA . CYS A 1 27 ? -35.897 -7.226 -12.262 1.00 30.66 ? 261 CYS A CA 1 ATOM 193 C C . CYS A 1 27 ? -37.019 -6.191 -12.220 1.00 34.12 ? 261 CYS A C 1 ATOM 194 O O . CYS A 1 27 ? -37.755 -6.124 -11.239 1.00 32.26 ? 261 CYS A O 1 ATOM 195 C CB . CYS A 1 27 ? -36.432 -8.638 -12.081 1.00 32.22 ? 261 CYS A CB 1 ATOM 196 S SG . CYS A 1 27 ? -37.277 -9.303 -13.538 1.00 37.16 ? 261 CYS A SG 1 ATOM 197 N N . VAL A 1 28 ? -37.122 -5.368 -13.269 1.00 30.62 ? 262 VAL A N 1 ATOM 198 C CA . VAL A 1 28 ? -38.090 -4.276 -13.369 1.00 30.05 ? 262 VAL A CA 1 ATOM 199 C C . VAL A 1 28 ? -39.160 -4.629 -14.402 1.00 34.96 ? 262 VAL A C 1 ATOM 200 O O . VAL A 1 28 ? -38.834 -5.060 -15.511 1.00 33.44 ? 262 VAL A O 1 ATOM 201 C CB . VAL A 1 28 ? -37.373 -2.937 -13.692 1.00 33.65 ? 262 VAL A CB 1 ATOM 202 C CG1 . VAL A 1 28 ? -38.367 -1.785 -13.869 1.00 33.50 ? 262 VAL A CG1 1 ATOM 203 C CG2 . VAL A 1 28 ? -36.351 -2.586 -12.613 1.00 33.54 ? 262 VAL A CG2 1 ATOM 204 N N . VAL A 1 29 ? -40.430 -4.477 -14.016 1.00 31.28 ? 263 VAL A N 1 ATOM 205 C CA . VAL A 1 29 ? -41.572 -4.717 -14.893 1.00 31.71 ? 263 VAL A CA 1 ATOM 206 C C . VAL A 1 29 ? -42.302 -3.398 -15.050 1.00 37.09 ? 263 VAL A C 1 ATOM 207 O O . VAL A 1 29 ? -42.693 -2.782 -14.051 1.00 35.38 ? 263 VAL A O 1 ATOM 208 C CB . VAL A 1 29 ? -42.519 -5.840 -14.393 1.00 35.25 ? 263 VAL A CB 1 ATOM 209 C CG1 . VAL A 1 29 ? -43.545 -6.210 -15.463 1.00 35.00 ? 263 VAL A CG1 1 ATOM 210 C CG2 . VAL A 1 29 ? -41.737 -7.072 -13.967 1.00 34.82 ? 263 VAL A CG2 1 ATOM 211 N N . VAL A 1 30 ? -42.460 -2.960 -16.301 1.00 35.44 ? 264 VAL A N 1 ATOM 212 C CA . VAL A 1 30 ? -43.168 -1.723 -16.649 1.00 36.24 ? 264 VAL A CA 1 ATOM 213 C C . VAL A 1 30 ? -44.440 -2.074 -17.414 1.00 41.01 ? 264 VAL A C 1 ATOM 214 O O . VAL A 1 30 ? -44.622 -3.237 -17.783 1.00 40.77 ? 264 VAL A O 1 ATOM 215 C CB . VAL A 1 30 ? -42.295 -0.650 -17.373 1.00 40.46 ? 264 VAL A CB 1 ATOM 216 C CG1 . VAL A 1 30 ? -41.229 -0.083 -16.441 1.00 40.80 ? 264 VAL A CG1 1 ATOM 217 C CG2 . VAL A 1 30 ? -41.680 -1.178 -18.673 1.00 40.06 ? 264 VAL A CG2 1 ATOM 218 N N . ASP A 1 31 ? -45.328 -1.086 -17.634 1.00 37.98 ? 265 ASP A N 1 ATOM 219 C CA . ASP A 1 31 ? -46.607 -1.268 -18.346 1.00 37.60 ? 265 ASP A CA 1 ATOM 220 C C . ASP A 1 31 ? -47.531 -2.283 -17.662 1.00 41.05 ? 265 ASP A C 1 ATOM 221 O O . ASP A 1 31 ? -48.295 -2.987 -18.326 1.00 40.24 ? 265 ASP A O 1 ATOM 222 C CB . ASP A 1 31 ? -46.392 -1.572 -19.853 1.00 39.25 ? 265 ASP A CB 1 ATOM 223 C CG . ASP A 1 31 ? -45.790 -0.421 -20.643 1.00 52.03 ? 265 ASP A CG 1 ATOM 224 O OD1 . ASP A 1 31 ? -45.765 0.708 -20.119 1.00 54.39 ? 265 ASP A OD1 1 ATOM 225 O OD2 . ASP A 1 31 ? -45.375 -0.644 -21.797 1.00 59.43 ? 265 ASP A OD2 1 ATOM 226 N N . VAL A 1 32 ? -47.448 -2.364 -16.318 1.00 37.82 ? 266 VAL A N 1 ATOM 227 C CA . VAL A 1 32 ? -48.310 -3.259 -15.538 1.00 38.62 ? 266 VAL A CA 1 ATOM 228 C C . VAL A 1 32 ? -49.671 -2.539 -15.433 1.00 42.84 ? 266 VAL A C 1 ATOM 229 O O . VAL A 1 32 ? -49.697 -1.353 -15.111 1.00 42.06 ? 266 VAL A O 1 ATOM 230 C CB . VAL A 1 32 ? -47.701 -3.612 -14.146 1.00 42.42 ? 266 VAL A CB 1 ATOM 231 C CG1 . VAL A 1 32 ? -48.633 -4.522 -13.350 1.00 42.06 ? 266 VAL A CG1 1 ATOM 232 C CG2 . VAL A 1 32 ? -46.326 -4.262 -14.292 1.00 41.91 ? 266 VAL A CG2 1 ATOM 233 N N . SER A 1 33 ? -50.768 -3.229 -15.780 1.00 41.65 ? 267 SER A N 1 ATOM 234 C CA . SER A 1 33 ? -52.106 -2.620 -15.800 1.00 43.53 ? 267 SER A CA 1 ATOM 235 C C . SER A 1 33 ? -52.722 -2.417 -14.422 1.00 53.28 ? 267 SER A C 1 ATOM 236 O O . SER A 1 33 ? -52.438 -3.186 -13.501 1.00 52.45 ? 267 SER A O 1 ATOM 237 C CB . SER A 1 33 ? -53.058 -3.447 -16.659 1.00 45.24 ? 267 SER A CB 1 ATOM 238 O OG . SER A 1 33 ? -53.536 -4.597 -15.972 1.00 50.14 ? 267 SER A OG 1 ATOM 239 N N . HIS A 1 34 ? -53.635 -1.428 -14.311 1.00 54.24 ? 268 HIS A N 1 ATOM 240 C CA . HIS A 1 34 ? -54.401 -1.168 -13.092 1.00 55.76 ? 268 HIS A CA 1 ATOM 241 C C . HIS A 1 34 ? -55.390 -2.315 -12.863 1.00 60.20 ? 268 HIS A C 1 ATOM 242 O O . HIS A 1 34 ? -55.614 -2.698 -11.716 1.00 59.68 ? 268 HIS A O 1 ATOM 243 C CB . HIS A 1 34 ? -55.145 0.174 -13.184 1.00 57.42 ? 268 HIS A CB 1 ATOM 244 C CG . HIS A 1 34 ? -54.272 1.383 -13.010 1.00 61.64 ? 268 HIS A CG 1 ATOM 245 N ND1 . HIS A 1 34 ? -53.210 1.390 -12.123 1.00 63.84 ? 268 HIS A ND1 1 ATOM 246 C CD2 . HIS A 1 34 ? -54.370 2.608 -13.576 1.00 64.00 ? 268 HIS A CD2 1 ATOM 247 C CE1 . HIS A 1 34 ? -52.683 2.601 -12.197 1.00 63.51 ? 268 HIS A CE1 1 ATOM 248 N NE2 . HIS A 1 34 ? -53.350 3.371 -13.055 1.00 63.91 ? 268 HIS A NE2 1 ATOM 249 N N . GLU A 1 35 ? -55.936 -2.884 -13.964 1.00 57.16 ? 269 GLU A N 1 ATOM 250 C CA . GLU A 1 35 ? -56.875 -4.010 -13.977 1.00 57.29 ? 269 GLU A CA 1 ATOM 251 C C . GLU A 1 35 ? -56.250 -5.306 -13.443 1.00 60.72 ? 269 GLU A C 1 ATOM 252 O O . GLU A 1 35 ? -56.897 -6.023 -12.683 1.00 60.27 ? 269 GLU A O 1 ATOM 253 C CB . GLU A 1 35 ? -57.443 -4.227 -15.394 1.00 59.10 ? 269 GLU A CB 1 ATOM 254 C CG . GLU A 1 35 ? -58.617 -3.317 -15.731 1.00 73.78 ? 269 GLU A CG 1 ATOM 255 C CD . GLU A 1 35 ? -59.211 -3.453 -17.122 1.00 102.82 ? 269 GLU A CD 1 ATOM 256 O OE1 . GLU A 1 35 ? -60.444 -3.275 -17.252 1.00 96.90 ? 269 GLU A OE1 1 ATOM 257 O OE2 . GLU A 1 35 ? -58.452 -3.719 -18.083 1.00 103.94 ? 269 GLU A OE2 1 ATOM 258 N N . ASP A 1 36 ? -55.001 -5.611 -13.848 1.00 57.21 ? 270 ASP A N 1 ATOM 259 C CA . ASP A 1 36 ? -54.263 -6.800 -13.409 1.00 56.89 ? 270 ASP A CA 1 ATOM 260 C C . ASP A 1 36 ? -52.864 -6.362 -12.920 1.00 58.57 ? 270 ASP A C 1 ATOM 261 O O . ASP A 1 36 ? -51.877 -6.486 -13.657 1.00 57.67 ? 270 ASP A O 1 ATOM 262 C CB . ASP A 1 36 ? -54.189 -7.843 -14.539 1.00 59.32 ? 270 ASP A CB 1 ATOM 263 C CG . ASP A 1 36 ? -55.545 -8.350 -15.002 1.00 74.59 ? 270 ASP A CG 1 ATOM 264 O OD1 . ASP A 1 36 ? -56.386 -8.684 -14.133 1.00 76.39 ? 270 ASP A OD1 1 ATOM 265 O OD2 . ASP A 1 36 ? -55.754 -8.446 -16.229 1.00 81.15 ? 270 ASP A OD2 1 ATOM 266 N N . PRO A 1 37 ? -52.768 -5.789 -11.697 1.00 53.52 ? 271 PRO A N 1 ATOM 267 C CA . PRO A 1 37 ? -51.478 -5.255 -11.247 1.00 52.30 ? 271 PRO A CA 1 ATOM 268 C C . PRO A 1 37 ? -50.518 -6.230 -10.586 1.00 51.82 ? 271 PRO A C 1 ATOM 269 O O . PRO A 1 37 ? -49.378 -5.864 -10.314 1.00 50.73 ? 271 PRO A O 1 ATOM 270 C CB . PRO A 1 37 ? -51.885 -4.105 -10.328 1.00 54.38 ? 271 PRO A CB 1 ATOM 271 C CG . PRO A 1 37 ? -53.227 -4.463 -9.814 1.00 59.21 ? 271 PRO A CG 1 ATOM 272 C CD . PRO A 1 37 ? -53.827 -5.523 -10.699 1.00 55.03 ? 271 PRO A CD 1 ATOM 273 N N . GLU A 1 38 ? -50.972 -7.458 -10.332 1.00 46.37 ? 272 GLU A N 1 ATOM 274 C CA . GLU A 1 38 ? -50.186 -8.483 -9.659 1.00 45.32 ? 272 GLU A CA 1 ATOM 275 C C . GLU A 1 38 ? -49.133 -9.126 -10.535 1.00 44.81 ? 272 GLU A C 1 ATOM 276 O O . GLU A 1 38 ? -49.440 -9.666 -11.604 1.00 42.29 ? 272 GLU A O 1 ATOM 277 C CB . GLU A 1 38 ? -51.091 -9.551 -9.065 1.00 46.96 ? 272 GLU A CB 1 ATOM 278 C CG . GLU A 1 38 ? -51.172 -9.436 -7.569 1.00 59.21 ? 272 GLU A CG 1 ATOM 279 C CD . GLU A 1 38 ? -51.612 -10.685 -6.846 1.00 74.65 ? 272 GLU A CD 1 ATOM 280 O OE1 . GLU A 1 38 ? -52.702 -10.650 -6.234 1.00 53.62 ? 272 GLU A OE1 1 ATOM 281 O OE2 . GLU A 1 38 ? -50.884 -11.701 -6.904 1.00 73.94 ? 272 GLU A OE2 1 ATOM 282 N N . VAL A 1 39 ? -47.885 -9.108 -10.050 1.00 39.07 ? 273 VAL A N 1 ATOM 283 C CA . VAL A 1 39 ? -46.763 -9.682 -10.779 1.00 37.48 ? 273 VAL A CA 1 ATOM 284 C C . VAL A 1 39 ? -46.154 -10.828 -9.982 1.00 39.53 ? 273 VAL A C 1 ATOM 285 O O . VAL A 1 39 ? -45.814 -10.660 -8.815 1.00 38.94 ? 273 VAL A O 1 ATOM 286 C CB . VAL A 1 39 ? -45.717 -8.593 -11.185 1.00 40.87 ? 273 VAL A CB 1 ATOM 287 C CG1 . VAL A 1 39 ? -44.528 -9.213 -11.919 1.00 41.34 ? 273 VAL A CG1 1 ATOM 288 C CG2 . VAL A 1 39 ? -46.352 -7.505 -12.048 1.00 39.85 ? 273 VAL A CG2 1 ATOM 289 N N . LYS A 1 40 ? -46.039 -11.993 -10.595 1.00 35.79 ? 274 LYS A N 1 ATOM 290 C CA . LYS A 1 40 ? -45.375 -13.114 -9.941 1.00 35.84 ? 274 LYS A CA 1 ATOM 291 C C . LYS A 1 40 ? -43.938 -13.146 -10.452 1.00 38.53 ? 274 LYS A C 1 ATOM 292 O O . LYS A 1 40 ? -43.721 -13.170 -11.663 1.00 38.05 ? 274 LYS A O 1 ATOM 293 C CB . LYS A 1 40 ? -46.086 -14.453 -10.205 1.00 38.27 ? 274 LYS A CB 1 ATOM 294 C CG . LYS A 1 40 ? -45.313 -15.659 -9.686 1.00 53.85 ? 274 LYS A CG 1 ATOM 295 C CD . LYS A 1 40 ? -46.185 -16.638 -8.925 1.00 69.24 ? 274 LYS A CD 1 ATOM 296 C CE . LYS A 1 40 ? -45.479 -17.085 -7.670 1.00 82.37 ? 274 LYS A CE 1 ATOM 297 N NZ . LYS A 1 40 ? -46.173 -18.218 -7.007 1.00 90.64 ? 274 LYS A NZ 1 ATOM 298 N N . PHE A 1 41 ? -42.971 -13.123 -9.527 1.00 34.75 ? 275 PHE A N 1 ATOM 299 C CA . PHE A 1 41 ? -41.543 -13.178 -9.844 1.00 33.91 ? 275 PHE A CA 1 ATOM 300 C C . PHE A 1 41 ? -40.970 -14.517 -9.423 1.00 39.06 ? 275 PHE A C 1 ATOM 301 O O . PHE A 1 41 ? -41.170 -14.958 -8.293 1.00 38.04 ? 275 PHE A O 1 ATOM 302 C CB . PHE A 1 41 ? -40.769 -12.059 -9.132 1.00 35.04 ? 275 PHE A CB 1 ATOM 303 C CG . PHE A 1 41 ? -40.997 -10.659 -9.633 1.00 35.62 ? 275 PHE A CG 1 ATOM 304 C CD1 . PHE A 1 41 ? -41.841 -9.786 -8.950 1.00 37.92 ? 275 PHE A CD1 1 ATOM 305 C CD2 . PHE A 1 41 ? -40.305 -10.179 -10.742 1.00 36.63 ? 275 PHE A CD2 1 ATOM 306 C CE1 . PHE A 1 41 ? -42.006 -8.466 -9.378 1.00 38.28 ? 275 PHE A CE1 1 ATOM 307 C CE2 . PHE A 1 41 ? -40.461 -8.857 -11.160 1.00 39.13 ? 275 PHE A CE2 1 ATOM 308 C CZ . PHE A 1 41 ? -41.318 -8.011 -10.482 1.00 37.41 ? 275 PHE A CZ 1 ATOM 309 N N . ASN A 1 42 ? -40.293 -15.185 -10.350 1.00 35.93 ? 276 ASN A N 1 ATOM 310 C CA . ASN A 1 42 ? -39.587 -16.430 -10.075 1.00 35.49 ? 276 ASN A CA 1 ATOM 311 C C . ASN A 1 42 ? -38.109 -16.157 -10.386 1.00 37.55 ? 276 ASN A C 1 ATOM 312 O O . ASN A 1 42 ? -37.820 -15.557 -11.419 1.00 35.12 ? 276 ASN A O 1 ATOM 313 C CB . ASN A 1 42 ? -40.137 -17.560 -10.936 1.00 39.43 ? 276 ASN A CB 1 ATOM 314 C CG . ASN A 1 42 ? -41.509 -18.004 -10.490 1.00 58.61 ? 276 ASN A CG 1 ATOM 315 O OD1 . ASN A 1 42 ? -41.650 -18.876 -9.639 1.00 53.69 ? 276 ASN A OD1 1 ATOM 316 N ND2 . ASN A 1 42 ? -42.544 -17.356 -10.975 1.00 48.14 ? 276 ASN A ND2 1 ATOM 317 N N . TRP A 1 43 ? -37.192 -16.530 -9.466 1.00 34.69 ? 277 TRP A N 1 ATOM 318 C CA . TRP A 1 43 ? -35.754 -16.308 -9.639 1.00 33.89 ? 277 TRP A CA 1 ATOM 319 C C . TRP A 1 43 ? -34.994 -17.611 -9.664 1.00 40.38 ? 277 TRP A C 1 ATOM 320 O O . TRP A 1 43 ? -35.328 -18.528 -8.912 1.00 41.34 ? 277 TRP A O 1 ATOM 321 C CB . TRP A 1 43 ? -35.191 -15.415 -8.540 1.00 31.70 ? 277 TRP A CB 1 ATOM 322 C CG . TRP A 1 43 ? -35.579 -13.970 -8.618 1.00 31.80 ? 277 TRP A CG 1 ATOM 323 C CD1 . TRP A 1 43 ? -36.612 -13.365 -7.968 1.00 34.40 ? 277 TRP A CD1 1 ATOM 324 C CD2 . TRP A 1 43 ? -34.875 -12.930 -9.313 1.00 31.16 ? 277 TRP A CD2 1 ATOM 325 N NE1 . TRP A 1 43 ? -36.592 -12.010 -8.203 1.00 34.18 ? 277 TRP A NE1 1 ATOM 326 C CE2 . TRP A 1 43 ? -35.530 -11.715 -9.022 1.00 35.04 ? 277 TRP A CE2 1 ATOM 327 C CE3 . TRP A 1 43 ? -33.740 -12.908 -10.142 1.00 31.95 ? 277 TRP A CE3 1 ATOM 328 C CZ2 . TRP A 1 43 ? -35.085 -10.487 -9.518 1.00 33.74 ? 277 TRP A CZ2 1 ATOM 329 C CZ3 . TRP A 1 43 ? -33.290 -11.682 -10.625 1.00 32.97 ? 277 TRP A CZ3 1 ATOM 330 C CH2 . TRP A 1 43 ? -33.961 -10.494 -10.315 1.00 33.46 ? 277 TRP A CH2 1 ATOM 331 N N . TYR A 1 44 ? -33.964 -17.697 -10.525 1.00 36.58 ? 278 TYR A N 1 ATOM 332 C CA . TYR A 1 44 ? -33.125 -18.887 -10.682 1.00 36.65 ? 278 TYR A CA 1 ATOM 333 C C . TYR A 1 44 ? -31.648 -18.498 -10.741 1.00 39.97 ? 278 TYR A C 1 ATOM 334 O O . TYR A 1 44 ? -31.298 -17.531 -11.406 1.00 37.44 ? 278 TYR A O 1 ATOM 335 C CB . TYR A 1 44 ? -33.513 -19.685 -11.944 1.00 38.67 ? 278 TYR A CB 1 ATOM 336 C CG . TYR A 1 44 ? -35.008 -19.894 -12.090 1.00 43.50 ? 278 TYR A CG 1 ATOM 337 C CD1 . TYR A 1 44 ? -35.823 -18.905 -12.642 1.00 45.30 ? 278 TYR A CD1 1 ATOM 338 C CD2 . TYR A 1 44 ? -35.610 -21.079 -11.675 1.00 45.45 ? 278 TYR A CD2 1 ATOM 339 C CE1 . TYR A 1 44 ? -37.206 -19.064 -12.713 1.00 46.47 ? 278 TYR A CE1 1 ATOM 340 C CE2 . TYR A 1 44 ? -36.991 -21.264 -11.778 1.00 47.30 ? 278 TYR A CE2 1 ATOM 341 C CZ . TYR A 1 44 ? -37.784 -20.252 -12.295 1.00 56.14 ? 278 TYR A CZ 1 ATOM 342 O OH . TYR A 1 44 ? -39.140 -20.445 -12.410 1.00 59.60 ? 278 TYR A OH 1 ATOM 343 N N . VAL A 1 45 ? -30.793 -19.244 -10.027 1.00 37.24 ? 279 VAL A N 1 ATOM 344 C CA . VAL A 1 45 ? -29.340 -19.042 -10.008 1.00 37.73 ? 279 VAL A CA 1 ATOM 345 C C . VAL A 1 45 ? -28.827 -20.328 -10.618 1.00 43.02 ? 279 VAL A C 1 ATOM 346 O O . VAL A 1 45 ? -29.033 -21.396 -10.032 1.00 43.39 ? 279 VAL A O 1 ATOM 347 C CB . VAL A 1 45 ? -28.757 -18.776 -8.591 1.00 41.57 ? 279 VAL A CB 1 ATOM 348 C CG1 . VAL A 1 45 ? -27.258 -18.492 -8.661 1.00 40.95 ? 279 VAL A CG1 1 ATOM 349 C CG2 . VAL A 1 45 ? -29.486 -17.629 -7.893 1.00 41.45 ? 279 VAL A CG2 1 ATOM 350 N N . ASP A 1 46 ? -28.291 -20.239 -11.849 1.00 39.78 ? 280 ASP A N 1 ATOM 351 C CA . ASP A 1 46 ? -27.818 -21.371 -12.654 1.00 41.11 ? 280 ASP A CA 1 ATOM 352 C C . ASP A 1 46 ? -28.919 -22.462 -12.858 1.00 49.56 ? 280 ASP A C 1 ATOM 353 O O . ASP A 1 46 ? -28.626 -23.666 -12.850 1.00 49.34 ? 280 ASP A O 1 ATOM 354 C CB . ASP A 1 46 ? -26.505 -21.962 -12.086 1.00 42.02 ? 280 ASP A CB 1 ATOM 355 C CG . ASP A 1 46 ? -25.237 -21.178 -12.392 1.00 46.90 ? 280 ASP A CG 1 ATOM 356 O OD1 . ASP A 1 46 ? -25.228 -20.413 -13.392 1.00 43.92 ? 280 ASP A OD1 1 ATOM 357 O OD2 . ASP A 1 46 ? -24.231 -21.399 -11.700 1.00 55.97 ? 280 ASP A OD2 1 ATOM 358 N N . GLY A 1 47 ? -30.168 -22.012 -13.018 1.00 48.07 ? 281 GLY A N 1 ATOM 359 C CA . GLY A 1 47 ? -31.331 -22.880 -13.206 1.00 48.43 ? 281 GLY A CA 1 ATOM 360 C C . GLY A 1 47 ? -32.038 -23.321 -11.935 1.00 54.21 ? 281 GLY A C 1 ATOM 361 O O . GLY A 1 47 ? -33.151 -23.849 -12.001 1.00 56.20 ? 281 GLY A O 1 ATOM 362 N N . VAL A 1 48 ? -31.409 -23.113 -10.770 1.00 49.88 ? 282 VAL A N 1 ATOM 363 C CA . VAL A 1 48 ? -31.949 -23.501 -9.464 1.00 48.98 ? 282 VAL A CA 1 ATOM 364 C C . VAL A 1 48 ? -32.777 -22.374 -8.908 1.00 51.51 ? 282 VAL A C 1 ATOM 365 O O . VAL A 1 48 ? -32.255 -21.277 -8.723 1.00 49.46 ? 282 VAL A O 1 ATOM 366 C CB . VAL A 1 48 ? -30.817 -23.852 -8.481 1.00 53.01 ? 282 VAL A CB 1 ATOM 367 C CG1 . VAL A 1 48 ? -31.347 -24.574 -7.246 1.00 52.80 ? 282 VAL A CG1 1 ATOM 368 C CG2 . VAL A 1 48 ? -29.730 -24.652 -9.172 1.00 52.79 ? 282 VAL A CG2 1 ATOM 369 N N . GLU A 1 49 ? -34.041 -22.662 -8.552 1.00 48.60 ? 283 GLU A N 1 ATOM 370 C CA . GLU A 1 49 ? -34.926 -21.653 -7.982 1.00 48.08 ? 283 GLU A CA 1 ATOM 371 C C . GLU A 1 49 ? -34.471 -21.217 -6.609 1.00 51.29 ? 283 GLU A C 1 ATOM 372 O O . GLU A 1 49 ? -34.003 -22.042 -5.818 1.00 51.47 ? 283 GLU A O 1 ATOM 373 C CB . GLU A 1 49 ? -36.390 -22.104 -7.948 1.00 49.50 ? 283 GLU A CB 1 ATOM 374 C CG . GLU A 1 49 ? -37.336 -20.928 -8.111 1.00 60.31 ? 283 GLU A CG 1 ATOM 375 C CD . GLU A 1 49 ? -38.807 -21.154 -7.832 1.00 77.71 ? 283 GLU A CD 1 ATOM 376 O OE1 . GLU A 1 49 ? -39.336 -22.219 -8.225 1.00 71.75 ? 283 GLU A OE1 1 ATOM 377 O OE2 . GLU A 1 49 ? -39.448 -20.228 -7.282 1.00 67.54 ? 283 GLU A OE2 1 ATOM 378 N N . VAL A 1 50 ? -34.573 -19.904 -6.353 1.00 45.90 ? 284 VAL A N 1 ATOM 379 C CA . VAL A 1 50 ? -34.215 -19.254 -5.097 1.00 45.40 ? 284 VAL A CA 1 ATOM 380 C C . VAL A 1 50 ? -35.430 -18.481 -4.611 1.00 53.43 ? 284 VAL A C 1 ATOM 381 O O . VAL A 1 50 ? -36.211 -17.990 -5.430 1.00 54.51 ? 284 VAL A O 1 ATOM 382 C CB . VAL A 1 50 ? -32.917 -18.402 -5.171 1.00 47.74 ? 284 VAL A CB 1 ATOM 383 C CG1 . VAL A 1 50 ? -31.703 -19.284 -5.446 1.00 46.98 ? 284 VAL A CG1 1 ATOM 384 C CG2 . VAL A 1 50 ? -33.026 -17.280 -6.196 1.00 46.88 ? 284 VAL A CG2 1 ATOM 385 N N . HIS A 1 51 ? -35.621 -18.411 -3.294 1.00 51.41 ? 285 HIS A N 1 ATOM 386 C CA . HIS A 1 51 ? -36.812 -17.795 -2.712 1.00 51.65 ? 285 HIS A CA 1 ATOM 387 C C . HIS A 1 51 ? -36.495 -16.616 -1.813 1.00 57.08 ? 285 HIS A C 1 ATOM 388 O O . HIS A 1 51 ? -37.361 -16.191 -1.043 1.00 58.91 ? 285 HIS A O 1 ATOM 389 C CB . HIS A 1 51 ? -37.616 -18.858 -1.940 1.00 52.30 ? 285 HIS A CB 1 ATOM 390 C CG . HIS A 1 51 ? -37.772 -20.142 -2.686 1.00 55.39 ? 285 HIS A CG 1 ATOM 391 N ND1 . HIS A 1 51 ? -38.795 -20.324 -3.595 1.00 57.27 ? 285 HIS A ND1 1 ATOM 392 C CD2 . HIS A 1 51 ? -36.988 -21.243 -2.681 1.00 57.13 ? 285 HIS A CD2 1 ATOM 393 C CE1 . HIS A 1 51 ? -38.614 -21.536 -4.102 1.00 56.81 ? 285 HIS A CE1 1 ATOM 394 N NE2 . HIS A 1 51 ? -37.540 -22.127 -3.581 1.00 57.10 ? 285 HIS A NE2 1 ATOM 395 N N . ASN A 1 52 ? -35.283 -16.054 -1.933 1.00 51.79 ? 286 ASN A N 1 ATOM 396 C CA . ASN A 1 52 ? -34.850 -14.953 -1.081 1.00 51.01 ? 286 ASN A CA 1 ATOM 397 C C . ASN A 1 52 ? -34.959 -13.525 -1.647 1.00 50.98 ? 286 ASN A C 1 ATOM 398 O O . ASN A 1 52 ? -34.484 -12.597 -0.999 1.00 48.17 ? 286 ASN A O 1 ATOM 399 C CB . ASN A 1 52 ? -33.465 -15.241 -0.501 1.00 55.26 ? 286 ASN A CB 1 ATOM 400 C CG . ASN A 1 52 ? -32.426 -15.471 -1.558 1.00 78.65 ? 286 ASN A CG 1 ATOM 401 O OD1 . ASN A 1 52 ? -32.269 -16.581 -2.072 1.00 72.72 ? 286 ASN A OD1 1 ATOM 402 N ND2 . ASN A 1 52 ? -31.730 -14.411 -1.937 1.00 72.34 ? 286 ASN A ND2 1 ATOM 403 N N . ALA A 1 53 ? -35.600 -13.332 -2.815 1.00 47.85 ? 287 ALA A N 1 ATOM 404 C CA . ALA A 1 53 ? -35.766 -11.987 -3.377 1.00 47.23 ? 287 ALA A CA 1 ATOM 405 C C . ALA A 1 53 ? -36.785 -11.192 -2.591 1.00 52.83 ? 287 ALA A C 1 ATOM 406 O O . ALA A 1 53 ? -37.686 -11.791 -2.008 1.00 53.13 ? 287 ALA A O 1 ATOM 407 C CB . ALA A 1 53 ? -36.199 -12.074 -4.826 1.00 47.53 ? 287 ALA A CB 1 ATOM 408 N N . LYS A 1 54 ? -36.634 -9.854 -2.555 1.00 50.11 ? 288 LYS A N 1 ATOM 409 C CA . LYS A 1 54 ? -37.564 -8.951 -1.895 1.00 50.72 ? 288 LYS A CA 1 ATOM 410 C C . LYS A 1 54 ? -38.239 -8.067 -2.951 1.00 55.64 ? 288 LYS A C 1 ATOM 411 O O . LYS A 1 54 ? -37.557 -7.432 -3.766 1.00 54.23 ? 288 LYS A O 1 ATOM 412 C CB . LYS A 1 54 ? -36.873 -8.092 -0.813 1.00 54.57 ? 288 LYS A CB 1 ATOM 413 C CG . LYS A 1 54 ? -37.865 -7.341 0.099 1.00 78.68 ? 288 LYS A CG 1 ATOM 414 C CD . LYS A 1 54 ? -37.181 -6.459 1.159 1.00 87.74 ? 288 LYS A CD 1 ATOM 415 C CE . LYS A 1 54 ? -38.152 -5.574 1.917 1.00 95.23 ? 288 LYS A CE 1 ATOM 416 N NZ . LYS A 1 54 ? -38.885 -6.315 2.978 1.00 103.04 ? 288 LYS A NZ 1 ATOM 417 N N . THR A 1 55 ? -39.584 -8.063 -2.960 1.00 52.69 ? 289 THR A N 1 ATOM 418 C CA . THR A 1 55 ? -40.344 -7.215 -3.874 1.00 52.59 ? 289 THR A CA 1 ATOM 419 C C . THR A 1 55 ? -40.494 -5.876 -3.172 1.00 55.27 ? 289 THR A C 1 ATOM 420 O O . THR A 1 55 ? -40.372 -5.815 -1.956 1.00 55.52 ? 289 THR A O 1 ATOM 421 C CB . THR A 1 55 ? -41.665 -7.898 -4.291 1.00 65.53 ? 289 THR A CB 1 ATOM 422 O OG1 . THR A 1 55 ? -41.352 -9.162 -4.873 1.00 67.39 ? 289 THR A OG1 1 ATOM 423 C CG2 . THR A 1 55 ? -42.454 -7.088 -5.311 1.00 63.73 ? 289 THR A CG2 1 ATOM 424 N N . LYS A 1 56 ? -40.655 -4.802 -3.923 1.00 51.09 ? 290 LYS A N 1 ATOM 425 C CA . LYS A 1 56 ? -40.838 -3.471 -3.355 1.00 50.96 ? 290 LYS A CA 1 ATOM 426 C C . LYS A 1 56 ? -42.279 -3.025 -3.660 1.00 55.23 ? 290 LYS A C 1 ATOM 427 O O . LYS A 1 56 ? -42.852 -3.543 -4.626 1.00 54.15 ? 290 LYS A O 1 ATOM 428 C CB . LYS A 1 56 ? -39.840 -2.491 -3.986 1.00 53.40 ? 290 LYS A CB 1 ATOM 429 C CG . LYS A 1 56 ? -38.390 -2.758 -3.610 1.00 64.05 ? 290 LYS A CG 1 ATOM 430 C CD . LYS A 1 56 ? -37.470 -1.757 -4.278 1.00 69.27 ? 290 LYS A CD 1 ATOM 431 C CE . LYS A 1 56 ? -36.043 -1.954 -3.848 1.00 79.67 ? 290 LYS A CE 1 ATOM 432 N NZ . LYS A 1 56 ? -35.116 -1.083 -4.614 1.00 89.45 ? 290 LYS A NZ 1 ATOM 433 N N . PRO A 1 57 ? -42.894 -2.077 -2.904 1.00 52.89 ? 291 PRO A N 1 ATOM 434 C CA . PRO A 1 57 ? -44.264 -1.652 -3.256 1.00 52.98 ? 291 PRO A CA 1 ATOM 435 C C . PRO A 1 57 ? -44.286 -1.001 -4.636 1.00 56.25 ? 291 PRO A C 1 ATOM 436 O O . PRO A 1 57 ? -43.424 -0.171 -4.937 1.00 56.02 ? 291 PRO A O 1 ATOM 437 C CB . PRO A 1 57 ? -44.649 -0.672 -2.138 1.00 54.64 ? 291 PRO A CB 1 ATOM 438 C CG . PRO A 1 57 ? -43.668 -0.937 -1.033 1.00 59.40 ? 291 PRO A CG 1 ATOM 439 C CD . PRO A 1 57 ? -42.401 -1.346 -1.717 1.00 54.66 ? 291 PRO A CD 1 ATOM 440 N N . ARG A 1 58 ? -45.231 -1.429 -5.492 1.00 51.92 ? 292 ARG A N 1 ATOM 441 C CA . ARG A 1 58 ? -45.371 -0.914 -6.860 1.00 51.49 ? 292 ARG A CA 1 ATOM 442 C C . ARG A 1 58 ? -45.593 0.599 -6.899 1.00 55.77 ? 292 ARG A C 1 ATOM 443 O O . ARG A 1 58 ? -46.121 1.175 -5.948 1.00 55.81 ? 292 ARG A O 1 ATOM 444 C CB . ARG A 1 58 ? -46.461 -1.667 -7.636 1.00 50.47 ? 292 ARG A CB 1 ATOM 445 C CG . ARG A 1 58 ? -47.877 -1.396 -7.157 1.00 57.46 ? 292 ARG A CG 1 ATOM 446 C CD . ARG A 1 58 ? -48.711 -2.630 -7.306 1.00 60.71 ? 292 ARG A CD 1 ATOM 447 N NE . ARG A 1 58 ? -50.097 -2.359 -6.956 1.00 62.14 ? 292 ARG A NE 1 ATOM 448 C CZ . ARG A 1 58 ? -51.048 -3.280 -6.942 1.00 72.20 ? 292 ARG A CZ 1 ATOM 449 N NH1 . ARG A 1 58 ? -52.286 -2.956 -6.611 1.00 58.81 ? 292 ARG A NH1 1 ATOM 450 N NH2 . ARG A 1 58 ? -50.771 -4.533 -7.270 1.00 60.21 ? 292 ARG A NH2 1 ATOM 451 N N . GLU A 1 59 ? -45.156 1.235 -7.970 1.00 52.52 ? 293 GLU A N 1 ATOM 452 C CA . GLU A 1 59 ? -45.292 2.673 -8.103 1.00 52.86 ? 293 GLU A CA 1 ATOM 453 C C . GLU A 1 59 ? -46.090 3.019 -9.314 1.00 58.21 ? 293 GLU A C 1 ATOM 454 O O . GLU A 1 59 ? -45.844 2.474 -10.400 1.00 56.68 ? 293 GLU A O 1 ATOM 455 C CB . GLU A 1 59 ? -43.932 3.354 -8.224 1.00 54.20 ? 293 GLU A CB 1 ATOM 456 C CG . GLU A 1 59 ? -43.056 3.242 -6.996 1.00 66.98 ? 293 GLU A CG 1 ATOM 457 C CD . GLU A 1 59 ? -41.667 3.821 -7.178 1.00 93.77 ? 293 GLU A CD 1 ATOM 458 O OE1 . GLU A 1 59 ? -41.246 4.047 -8.338 1.00 89.67 ? 293 GLU A OE1 1 ATOM 459 O OE2 . GLU A 1 59 ? -40.991 4.041 -6.149 1.00 90.68 ? 293 GLU A OE2 1 ATOM 460 N N . GLU A 1 60 ? -47.011 3.980 -9.152 1.00 56.02 ? 294 GLU A N 1 ATOM 461 C CA . GLU A 1 60 ? -47.779 4.444 -10.282 1.00 56.46 ? 294 GLU A CA 1 ATOM 462 C C . GLU A 1 60 ? -46.927 5.391 -11.078 1.00 61.03 ? 294 GLU A C 1 ATOM 463 O O . GLU A 1 60 ? -46.316 6.321 -10.535 1.00 59.12 ? 294 GLU A O 1 ATOM 464 C CB . GLU A 1 60 ? -49.097 5.106 -9.880 1.00 58.21 ? 294 GLU A CB 1 ATOM 465 C CG . GLU A 1 60 ? -49.961 5.405 -11.099 1.00 70.98 ? 294 GLU A CG 1 ATOM 466 C CD . GLU A 1 60 ? -51.260 6.154 -10.895 1.00 100.26 ? 294 GLU A CD 1 ATOM 467 O OE1 . GLU A 1 60 ? -51.611 6.449 -9.729 1.00 100.07 ? 294 GLU A OE1 1 ATOM 468 O OE2 . GLU A 1 60 ? -51.938 6.431 -11.912 1.00 96.83 ? 294 GLU A OE2 1 ATOM 469 N N . GLN A 1 61 ? -46.866 5.119 -12.372 1.00 60.29 ? 295 GLN A N 1 ATOM 470 C CA . GLN A 1 61 ? -46.164 5.957 -13.313 1.00 61.66 ? 295 GLN A CA 1 ATOM 471 C C . GLN A 1 61 ? -47.137 6.989 -13.783 1.00 69.27 ? 295 GLN A C 1 ATOM 472 O O . GLN A 1 61 ? -48.356 6.827 -13.653 1.00 68.97 ? 295 GLN A O 1 ATOM 473 C CB . GLN A 1 61 ? -45.597 5.141 -14.489 1.00 62.99 ? 295 GLN A CB 1 ATOM 474 C CG . GLN A 1 61 ? -44.518 4.136 -14.084 1.00 71.39 ? 295 GLN A CG 1 ATOM 475 C CD . GLN A 1 61 ? -43.484 4.739 -13.166 1.00 79.20 ? 295 GLN A CD 1 ATOM 476 O OE1 . GLN A 1 61 ? -42.637 5.538 -13.579 1.00 72.84 ? 295 GLN A OE1 1 ATOM 477 N NE2 . GLN A 1 61 ? -43.567 4.395 -11.888 1.00 66.21 ? 295 GLN A NE2 1 ATOM 478 N N . TYR A 1 62 ? -46.591 8.064 -14.313 1.00 68.32 ? 296 TYR A N 1 ATOM 479 C CA . TYR A 1 62 ? -47.350 9.190 -14.805 1.00 69.37 ? 296 TYR A CA 1 ATOM 480 C C . TYR A 1 62 ? -48.148 8.859 -16.048 1.00 71.61 ? 296 TYR A C 1 ATOM 481 O O . TYR A 1 62 ? -49.157 9.510 -16.310 1.00 71.51 ? 296 TYR A O 1 ATOM 482 C CB . TYR A 1 62 ? -46.442 10.417 -14.903 1.00 72.45 ? 296 TYR A CB 1 ATOM 483 C CG . TYR A 1 62 ? -46.002 10.824 -13.508 1.00 77.13 ? 296 TYR A CG 1 ATOM 484 C CD1 . TYR A 1 62 ? -46.818 11.615 -12.704 1.00 79.83 ? 296 TYR A CD1 1 ATOM 485 C CD2 . TYR A 1 62 ? -44.844 10.290 -12.934 1.00 78.83 ? 296 TYR A CD2 1 ATOM 486 C CE1 . TYR A 1 62 ? -46.465 11.923 -11.387 1.00 81.79 ? 296 TYR A CE1 1 ATOM 487 C CE2 . TYR A 1 62 ? -44.484 10.585 -11.619 1.00 80.37 ? 296 TYR A CE2 1 ATOM 488 C CZ . TYR A 1 62 ? -45.297 11.408 -10.850 1.00 89.37 ? 296 TYR A CZ 1 ATOM 489 O OH . TYR A 1 62 ? -44.952 11.724 -9.557 1.00 90.71 ? 296 TYR A OH 1 ATOM 490 N N . ASN A 1 63 ? -47.784 7.749 -16.725 1.00 66.42 ? 297 ASN A N 1 ATOM 491 C CA . ASN A 1 63 ? -48.502 7.236 -17.885 1.00 65.38 ? 297 ASN A CA 1 ATOM 492 C C . ASN A 1 63 ? -49.650 6.292 -17.472 1.00 67.20 ? 297 ASN A C 1 ATOM 493 O O . ASN A 1 63 ? -50.190 5.573 -18.316 1.00 66.00 ? 297 ASN A O 1 ATOM 494 C CB . ASN A 1 63 ? -47.536 6.584 -18.891 1.00 66.75 ? 297 ASN A CB 1 ATOM 495 C CG . ASN A 1 63 ? -46.691 5.438 -18.385 1.00 90.70 ? 297 ASN A CG 1 ATOM 496 O OD1 . ASN A 1 63 ? -47.085 4.649 -17.523 1.00 85.78 ? 297 ASN A OD1 1 ATOM 497 N ND2 . ASN A 1 63 ? -45.513 5.323 -18.964 1.00 84.52 ? 297 ASN A ND2 1 ATOM 498 N N . SER A 1 64 ? -50.022 6.314 -16.170 1.00 63.49 ? 298 SER A N 1 ATOM 499 C CA . SER A 1 64 ? -51.107 5.543 -15.546 1.00 63.23 ? 298 SER A CA 1 ATOM 500 C C . SER A 1 64 ? -50.906 4.024 -15.534 1.00 65.23 ? 298 SER A C 1 ATOM 501 O O . SER A 1 64 ? -51.855 3.245 -15.695 1.00 65.05 ? 298 SER A O 1 ATOM 502 C CB . SER A 1 64 ? -52.473 5.942 -16.111 1.00 68.27 ? 298 SER A CB 1 ATOM 503 O OG . SER A 1 64 ? -52.699 7.327 -15.926 1.00 80.12 ? 298 SER A OG 1 ATOM 504 N N . THR A 1 65 ? -49.661 3.599 -15.323 1.00 59.29 ? 299 THR A N 1 ATOM 505 C CA . THR A 1 65 ? -49.331 2.177 -15.233 1.00 57.69 ? 299 THR A CA 1 ATOM 506 C C . THR A 1 65 ? -48.441 1.976 -14.021 1.00 57.05 ? 299 THR A C 1 ATOM 507 O O . THR A 1 65 ? -47.868 2.937 -13.504 1.00 55.87 ? 299 THR A O 1 ATOM 508 C CB . THR A 1 65 ? -48.641 1.670 -16.517 1.00 65.64 ? 299 THR A CB 1 ATOM 509 O OG1 . THR A 1 65 ? -47.413 2.369 -16.699 1.00 64.27 ? 299 THR A OG1 1 ATOM 510 C CG2 . THR A 1 65 ? -49.521 1.774 -17.763 1.00 63.95 ? 299 THR A CG2 1 ATOM 511 N N . TYR A 1 66 ? -48.327 0.737 -13.570 1.00 50.67 ? 300 TYR A N 1 ATOM 512 C CA . TYR A 1 66 ? -47.452 0.452 -12.454 1.00 49.58 ? 300 TYR A CA 1 ATOM 513 C C . TYR A 1 66 ? -46.080 0.003 -12.924 1.00 50.88 ? 300 TYR A C 1 ATOM 514 O O . TYR A 1 66 ? -45.938 -0.585 -14.004 1.00 49.42 ? 300 TYR A O 1 ATOM 515 C CB . TYR A 1 66 ? -48.050 -0.619 -11.545 1.00 51.01 ? 300 TYR A CB 1 ATOM 516 C CG . TYR A 1 66 ? -49.313 -0.189 -10.835 1.00 54.16 ? 300 TYR A CG 1 ATOM 517 C CD1 . TYR A 1 66 ? -50.418 -1.032 -10.765 1.00 56.39 ? 300 TYR A CD1 1 ATOM 518 C CD2 . TYR A 1 66 ? -49.402 1.059 -10.216 1.00 55.30 ? 300 TYR A CD2 1 ATOM 519 C CE1 . TYR A 1 66 ? -51.574 -0.653 -10.085 1.00 57.33 ? 300 TYR A CE1 1 ATOM 520 C CE2 . TYR A 1 66 ? -50.564 1.456 -9.553 1.00 56.54 ? 300 TYR A CE2 1 ATOM 521 C CZ . TYR A 1 66 ? -51.639 0.588 -9.478 1.00 64.42 ? 300 TYR A CZ 1 ATOM 522 O OH . TYR A 1 66 ? -52.786 0.954 -8.821 1.00 67.21 ? 300 TYR A OH 1 ATOM 523 N N . ARG A 1 67 ? -45.078 0.278 -12.084 1.00 45.45 ? 301 ARG A N 1 ATOM 524 C CA . ARG A 1 67 ? -43.705 -0.156 -12.252 1.00 43.83 ? 301 ARG A CA 1 ATOM 525 C C . ARG A 1 67 ? -43.466 -1.035 -11.031 1.00 44.05 ? 301 ARG A C 1 ATOM 526 O O . ARG A 1 67 ? -43.613 -0.578 -9.886 1.00 42.85 ? 301 ARG A O 1 ATOM 527 C CB . ARG A 1 67 ? -42.764 1.043 -12.275 1.00 44.37 ? 301 ARG A CB 1 ATOM 528 C CG . ARG A 1 67 ? -41.305 0.656 -12.445 1.00 49.52 ? 301 ARG A CG 1 ATOM 529 C CD . ARG A 1 67 ? -40.435 1.883 -12.447 1.00 56.01 ? 301 ARG A CD 1 ATOM 530 N NE . ARG A 1 67 ? -39.021 1.526 -12.566 1.00 59.94 ? 301 ARG A NE 1 ATOM 531 C CZ . ARG A 1 67 ? -38.226 1.240 -11.536 1.00 77.73 ? 301 ARG A CZ 1 ATOM 532 N NH1 . ARG A 1 67 ? -36.954 0.922 -11.737 1.00 64.18 ? 301 ARG A NH1 1 ATOM 533 N NH2 . ARG A 1 67 ? -38.698 1.286 -10.294 1.00 67.18 ? 301 ARG A NH2 1 ATOM 534 N N . VAL A 1 68 ? -43.218 -2.322 -11.276 1.00 37.94 ? 302 VAL A N 1 ATOM 535 C CA . VAL A 1 68 ? -43.063 -3.310 -10.210 1.00 37.36 ? 302 VAL A CA 1 ATOM 536 C C . VAL A 1 68 ? -41.631 -3.874 -10.254 1.00 41.42 ? 302 VAL A C 1 ATOM 537 O O . VAL A 1 68 ? -41.145 -4.252 -11.324 1.00 39.73 ? 302 VAL A O 1 ATOM 538 C CB . VAL A 1 68 ? -44.147 -4.428 -10.301 1.00 40.80 ? 302 VAL A CB 1 ATOM 539 C CG1 . VAL A 1 68 ? -44.113 -5.320 -9.062 1.00 40.70 ? 302 VAL A CG1 1 ATOM 540 C CG2 . VAL A 1 68 ? -45.558 -3.840 -10.488 1.00 40.57 ? 302 VAL A CG2 1 ATOM 541 N N . VAL A 1 69 ? -40.975 -3.923 -9.089 1.00 38.31 ? 303 VAL A N 1 ATOM 542 C CA . VAL A 1 69 ? -39.573 -4.319 -8.953 1.00 38.50 ? 303 VAL A CA 1 ATOM 543 C C . VAL A 1 69 ? -39.355 -5.477 -7.975 1.00 40.59 ? 303 VAL A C 1 ATOM 544 O O . VAL A 1 69 ? -39.871 -5.455 -6.849 1.00 41.09 ? 303 VAL A O 1 ATOM 545 C CB . VAL A 1 69 ? -38.725 -3.069 -8.539 1.00 43.18 ? 303 VAL A CB 1 ATOM 546 C CG1 . VAL A 1 69 ? -37.252 -3.413 -8.334 1.00 43.01 ? 303 VAL A CG1 1 ATOM 547 C CG2 . VAL A 1 69 ? -38.865 -1.928 -9.548 1.00 43.23 ? 303 VAL A CG2 1 ATOM 548 N N . SER A 1 70 ? -38.549 -6.467 -8.398 1.00 32.97 ? 304 SER A N 1 ATOM 549 C CA . SER A 1 70 ? -38.063 -7.548 -7.538 1.00 31.22 ? 304 SER A CA 1 ATOM 550 C C . SER A 1 70 ? -36.530 -7.422 -7.494 1.00 35.47 ? 304 SER A C 1 ATOM 551 O O . SER A 1 70 ? -35.889 -7.227 -8.536 1.00 33.24 ? 304 SER A O 1 ATOM 552 C CB . SER A 1 70 ? -38.468 -8.916 -8.054 1.00 32.67 ? 304 SER A CB 1 ATOM 553 O OG . SER A 1 70 ? -38.073 -9.923 -7.134 1.00 36.01 ? 304 SER A OG 1 ATOM 554 N N . VAL A 1 71 ? -35.960 -7.488 -6.285 1.00 33.44 ? 305 VAL A N 1 ATOM 555 C CA . VAL A 1 71 ? -34.522 -7.310 -6.040 1.00 33.96 ? 305 VAL A CA 1 ATOM 556 C C . VAL A 1 71 ? -33.993 -8.586 -5.450 1.00 35.77 ? 305 VAL A C 1 ATOM 557 O O . VAL A 1 71 ? -34.507 -9.045 -4.421 1.00 35.24 ? 305 VAL A O 1 ATOM 558 C CB . VAL A 1 71 ? -34.282 -6.082 -5.120 1.00 39.95 ? 305 VAL A CB 1 ATOM 559 C CG1 . VAL A 1 71 ? -32.829 -5.960 -4.720 1.00 40.79 ? 305 VAL A CG1 1 ATOM 560 C CG2 . VAL A 1 71 ? -34.738 -4.794 -5.780 1.00 40.05 ? 305 VAL A CG2 1 ATOM 561 N N . LEU A 1 72 ? -33.006 -9.199 -6.124 1.00 30.24 ? 306 LEU A N 1 ATOM 562 C CA . LEU A 1 72 ? -32.393 -10.418 -5.640 1.00 29.65 ? 306 LEU A CA 1 ATOM 563 C C . LEU A 1 72 ? -30.961 -10.183 -5.173 1.00 35.30 ? 306 LEU A C 1 ATOM 564 O O . LEU A 1 72 ? -30.128 -9.733 -5.962 1.00 33.26 ? 306 LEU A O 1 ATOM 565 C CB . LEU A 1 72 ? -32.429 -11.530 -6.692 1.00 29.75 ? 306 LEU A CB 1 ATOM 566 C CG . LEU A 1 72 ? -31.783 -12.850 -6.263 1.00 33.42 ? 306 LEU A CG 1 ATOM 567 C CD1 . LEU A 1 72 ? -32.663 -13.622 -5.247 1.00 33.39 ? 306 LEU A CD1 1 ATOM 568 C CD2 . LEU A 1 72 ? -31.392 -13.676 -7.452 1.00 34.31 ? 306 LEU A CD2 1 ATOM 569 N N . THR A 1 73 ? -30.670 -10.516 -3.895 1.00 31.30 ? 307 THR A N 1 ATOM 570 C CA . THR A 1 73 ? -29.310 -10.405 -3.375 1.00 30.43 ? 307 THR A CA 1 ATOM 571 C C . THR A 1 73 ? -28.486 -11.543 -3.955 1.00 32.58 ? 307 THR A C 1 ATOM 572 O O . THR A 1 73 ? -28.863 -12.716 -3.875 1.00 33.71 ? 307 THR A O 1 ATOM 573 C CB . THR A 1 73 ? -29.259 -10.340 -1.843 1.00 33.93 ? 307 THR A CB 1 ATOM 574 O OG1 . THR A 1 73 ? -29.892 -9.143 -1.406 1.00 32.08 ? 307 THR A OG1 1 ATOM 575 C CG2 . THR A 1 73 ? -27.833 -10.351 -1.306 1.00 33.34 ? 307 THR A CG2 1 ATOM 576 N N . VAL A 1 74 ? -27.385 -11.185 -4.581 1.00 27.23 ? 308 VAL A N 1 ATOM 577 C CA . VAL A 1 74 ? -26.481 -12.173 -5.150 1.00 28.25 ? 308 VAL A CA 1 ATOM 578 C C . VAL A 1 74 ? -25.302 -12.353 -4.172 1.00 32.60 ? 308 VAL A C 1 ATOM 579 O O . VAL A 1 74 ? -24.919 -11.383 -3.523 1.00 32.99 ? 308 VAL A O 1 ATOM 580 C CB . VAL A 1 74 ? -26.048 -11.826 -6.600 1.00 32.62 ? 308 VAL A CB 1 ATOM 581 C CG1 . VAL A 1 74 ? -27.262 -11.546 -7.480 1.00 33.05 ? 308 VAL A CG1 1 ATOM 582 C CG2 . VAL A 1 74 ? -25.085 -10.653 -6.649 1.00 32.20 ? 308 VAL A CG2 1 ATOM 583 N N . LEU A 1 75 ? -24.734 -13.567 -4.080 1.00 29.65 ? 309 LEU A N 1 ATOM 584 C CA . LEU A 1 75 ? -23.554 -13.828 -3.247 1.00 30.20 ? 309 LEU A CA 1 ATOM 585 C C . LEU A 1 75 ? -22.354 -13.199 -3.997 1.00 32.06 ? 309 LEU A C 1 ATOM 586 O O . LEU A 1 75 ? -22.273 -13.336 -5.217 1.00 29.36 ? 309 LEU A O 1 ATOM 587 C CB . LEU A 1 75 ? -23.320 -15.345 -3.065 1.00 31.04 ? 309 LEU A CB 1 ATOM 588 C CG . LEU A 1 75 ? -24.407 -16.192 -2.367 1.00 37.30 ? 309 LEU A CG 1 ATOM 589 C CD1 . LEU A 1 75 ? -23.972 -17.643 -2.237 1.00 37.82 ? 309 LEU A CD1 1 ATOM 590 C CD2 . LEU A 1 75 ? -24.621 -15.755 -0.990 1.00 41.57 ? 309 LEU A CD2 1 ATOM 591 N N . HIS A 1 76 ? -21.453 -12.479 -3.284 1.00 28.24 ? 310 HIS A N 1 ATOM 592 C CA . HIS A 1 76 ? -20.289 -11.850 -3.940 1.00 26.69 ? 310 HIS A CA 1 ATOM 593 C C . HIS A 1 76 ? -19.507 -12.869 -4.766 1.00 30.48 ? 310 HIS A C 1 ATOM 594 O O . HIS A 1 76 ? -19.208 -12.604 -5.926 1.00 28.96 ? 310 HIS A O 1 ATOM 595 C CB . HIS A 1 76 ? -19.348 -11.221 -2.901 1.00 26.60 ? 310 HIS A CB 1 ATOM 596 C CG . HIS A 1 76 ? -19.968 -10.123 -2.112 1.00 28.82 ? 310 HIS A CG 1 ATOM 597 N ND1 . HIS A 1 76 ? -19.803 -8.801 -2.466 1.00 30.09 ? 310 HIS A ND1 1 ATOM 598 C CD2 . HIS A 1 76 ? -20.731 -10.186 -0.997 1.00 29.96 ? 310 HIS A CD2 1 ATOM 599 C CE1 . HIS A 1 76 ? -20.452 -8.101 -1.552 1.00 28.90 ? 310 HIS A CE1 1 ATOM 600 N NE2 . HIS A 1 76 ? -21.017 -8.894 -0.642 1.00 29.45 ? 310 HIS A NE2 1 ATOM 601 N N . GLN A 1 77 ? -19.233 -14.061 -4.185 1.00 28.18 ? 311 GLN A N 1 ATOM 602 C CA . GLN A 1 77 ? -18.479 -15.118 -4.865 1.00 28.43 ? 311 GLN A CA 1 ATOM 603 C C . GLN A 1 77 ? -19.191 -15.693 -6.092 1.00 31.47 ? 311 GLN A C 1 ATOM 604 O O . GLN A 1 77 ? -18.542 -15.933 -7.100 1.00 29.79 ? 311 GLN A O 1 ATOM 605 C CB . GLN A 1 77 ? -18.008 -16.214 -3.880 1.00 29.46 ? 311 GLN A CB 1 ATOM 606 C CG . GLN A 1 77 ? -19.121 -17.020 -3.185 1.00 32.16 ? 311 GLN A CG 1 ATOM 607 C CD . GLN A 1 77 ? -19.695 -16.408 -1.930 1.00 37.22 ? 311 GLN A CD 1 ATOM 608 O OE1 . GLN A 1 77 ? -19.652 -15.197 -1.694 1.00 30.91 ? 311 GLN A OE1 1 ATOM 609 N NE2 . GLN A 1 77 ? -20.311 -17.236 -1.110 1.00 33.02 ? 311 GLN A NE2 1 ATOM 610 N N . ASP A 1 78 ? -20.523 -15.872 -6.018 1.00 29.24 ? 312 ASP A N 1 ATOM 611 C CA . ASP A 1 78 ? -21.337 -16.391 -7.121 1.00 29.10 ? 312 ASP A CA 1 ATOM 612 C C . ASP A 1 78 ? -21.346 -15.444 -8.313 1.00 31.59 ? 312 ASP A C 1 ATOM 613 O O . ASP A 1 78 ? -21.230 -15.899 -9.452 1.00 30.52 ? 312 ASP A O 1 ATOM 614 C CB . ASP A 1 78 ? -22.770 -16.651 -6.652 1.00 30.62 ? 312 ASP A CB 1 ATOM 615 C CG . ASP A 1 78 ? -22.972 -17.866 -5.775 1.00 41.33 ? 312 ASP A CG 1 ATOM 616 O OD1 . ASP A 1 78 ? -21.971 -18.539 -5.446 1.00 43.85 ? 312 ASP A OD1 1 ATOM 617 O OD2 . ASP A 1 78 ? -24.125 -18.147 -5.425 1.00 46.61 ? 312 ASP A OD2 1 ATOM 618 N N . TRP A 1 79 ? -21.484 -14.132 -8.061 1.00 29.41 ? 313 TRP A N 1 ATOM 619 C CA . TRP A 1 79 ? -21.457 -13.142 -9.135 1.00 29.21 ? 313 TRP A CA 1 ATOM 620 C C . TRP A 1 79 ? -20.082 -13.163 -9.829 1.00 32.59 ? 313 TRP A C 1 ATOM 621 O O . TRP A 1 79 ? -20.015 -13.232 -11.059 1.00 30.84 ? 313 TRP A O 1 ATOM 622 C CB . TRP A 1 79 ? -21.810 -11.715 -8.620 1.00 28.17 ? 313 TRP A CB 1 ATOM 623 C CG . TRP A 1 79 ? -21.769 -10.690 -9.716 1.00 28.71 ? 313 TRP A CG 1 ATOM 624 C CD1 . TRP A 1 79 ? -20.736 -9.846 -10.006 1.00 31.67 ? 313 TRP A CD1 1 ATOM 625 C CD2 . TRP A 1 79 ? -22.756 -10.487 -10.743 1.00 28.26 ? 313 TRP A CD2 1 ATOM 626 N NE1 . TRP A 1 79 ? -21.018 -9.127 -11.146 1.00 30.89 ? 313 TRP A NE1 1 ATOM 627 C CE2 . TRP A 1 79 ? -22.254 -9.492 -11.614 1.00 31.24 ? 313 TRP A CE2 1 ATOM 628 C CE3 . TRP A 1 79 ? -24.025 -11.038 -11.007 1.00 29.25 ? 313 TRP A CE3 1 ATOM 629 C CZ2 . TRP A 1 79 ? -22.970 -9.035 -12.722 1.00 30.78 ? 313 TRP A CZ2 1 ATOM 630 C CZ3 . TRP A 1 79 ? -24.728 -10.599 -12.122 1.00 30.63 ? 313 TRP A CZ3 1 ATOM 631 C CH2 . TRP A 1 79 ? -24.197 -9.613 -12.970 1.00 31.30 ? 313 TRP A CH2 1 ATOM 632 N N . LEU A 1 80 ? -18.996 -13.162 -9.038 1.00 31.40 ? 314 LEU A N 1 ATOM 633 C CA . LEU A 1 80 ? -17.626 -13.187 -9.574 1.00 32.87 ? 314 LEU A CA 1 ATOM 634 C C . LEU A 1 80 ? -17.298 -14.479 -10.320 1.00 36.81 ? 314 LEU A C 1 ATOM 635 O O . LEU A 1 80 ? -16.555 -14.444 -11.304 1.00 35.28 ? 314 LEU A O 1 ATOM 636 C CB . LEU A 1 80 ? -16.585 -12.923 -8.483 1.00 33.92 ? 314 LEU A CB 1 ATOM 637 C CG . LEU A 1 80 ? -16.673 -11.598 -7.746 1.00 41.59 ? 314 LEU A CG 1 ATOM 638 C CD1 . LEU A 1 80 ? -15.743 -11.604 -6.551 1.00 43.52 ? 314 LEU A CD1 1 ATOM 639 C CD2 . LEU A 1 80 ? -16.439 -10.388 -8.674 1.00 45.33 ? 314 LEU A CD2 1 ATOM 640 N N . ASN A 1 81 ? -17.893 -15.605 -9.881 1.00 34.27 ? 315 ASN A N 1 ATOM 641 C CA . ASN A 1 81 ? -17.726 -16.905 -10.534 1.00 34.97 ? 315 ASN A CA 1 ATOM 642 C C . ASN A 1 81 ? -18.601 -17.124 -11.778 1.00 39.72 ? 315 ASN A C 1 ATOM 643 O O . ASN A 1 81 ? -18.585 -18.220 -12.337 1.00 40.00 ? 315 ASN A O 1 ATOM 644 C CB . ASN A 1 81 ? -17.859 -18.052 -9.542 1.00 35.00 ? 315 ASN A CB 1 ATOM 645 C CG . ASN A 1 81 ? -16.632 -18.206 -8.690 1.00 54.57 ? 315 ASN A CG 1 ATOM 646 O OD1 . ASN A 1 81 ? -15.502 -17.920 -9.120 1.00 46.98 ? 315 ASN A OD1 1 ATOM 647 N ND2 . ASN A 1 81 ? -16.829 -18.648 -7.459 1.00 44.57 ? 315 ASN A ND2 1 ATOM 648 N N . GLY A 1 82 ? -19.290 -16.076 -12.231 1.00 36.00 ? 316 GLY A N 1 ATOM 649 C CA . GLY A 1 82 ? -20.088 -16.115 -13.452 1.00 35.97 ? 316 GLY A CA 1 ATOM 650 C C . GLY A 1 82 ? -21.402 -16.876 -13.396 1.00 39.09 ? 316 GLY A C 1 ATOM 651 O O . GLY A 1 82 ? -21.854 -17.379 -14.422 1.00 39.00 ? 316 GLY A O 1 ATOM 652 N N . LYS A 1 83 ? -22.047 -16.949 -12.227 1.00 35.32 ? 317 LYS A N 1 ATOM 653 C CA . LYS A 1 83 ? -23.363 -17.596 -12.148 1.00 34.90 ? 317 LYS A CA 1 ATOM 654 C C . LYS A 1 83 ? -24.386 -16.767 -12.919 1.00 36.62 ? 317 LYS A C 1 ATOM 655 O O . LYS A 1 83 ? -24.235 -15.549 -13.014 1.00 34.10 ? 317 LYS A O 1 ATOM 656 C CB . LYS A 1 83 ? -23.817 -17.782 -10.701 1.00 37.57 ? 317 LYS A CB 1 ATOM 657 C CG . LYS A 1 83 ? -22.925 -18.757 -9.970 1.00 49.64 ? 317 LYS A CG 1 ATOM 658 C CD . LYS A 1 83 ? -23.651 -19.551 -8.949 1.00 51.20 ? 317 LYS A CD 1 ATOM 659 C CE . LYS A 1 83 ? -22.681 -20.468 -8.260 1.00 57.88 ? 317 LYS A CE 1 ATOM 660 N NZ . LYS A 1 83 ? -23.345 -21.220 -7.177 1.00 72.51 ? 317 LYS A NZ 1 ATOM 661 N N . GLU A 1 84 ? -25.385 -17.445 -13.504 1.00 32.66 ? 318 GLU A N 1 ATOM 662 C CA . GLU A 1 84 ? -26.461 -16.841 -14.294 1.00 32.49 ? 318 GLU A CA 1 ATOM 663 C C . GLU A 1 84 ? -27.669 -16.605 -13.434 1.00 34.47 ? 318 GLU A C 1 ATOM 664 O O . GLU A 1 84 ? -28.108 -17.507 -12.721 1.00 34.99 ? 318 GLU A O 1 ATOM 665 C CB . GLU A 1 84 ? -26.858 -17.759 -15.447 1.00 34.35 ? 318 GLU A CB 1 ATOM 666 C CG . GLU A 1 84 ? -25.912 -17.725 -16.618 1.00 50.91 ? 318 GLU A CG 1 ATOM 667 C CD . GLU A 1 84 ? -26.519 -18.408 -17.822 1.00 78.46 ? 318 GLU A CD 1 ATOM 668 O OE1 . GLU A 1 84 ? -26.465 -19.658 -17.883 1.00 77.70 ? 318 GLU A OE1 1 ATOM 669 O OE2 . GLU A 1 84 ? -27.123 -17.698 -18.659 1.00 74.54 ? 318 GLU A OE2 1 ATOM 670 N N . TYR A 1 85 ? -28.233 -15.408 -13.532 1.00 30.02 ? 319 TYR A N 1 ATOM 671 C CA . TYR A 1 85 ? -29.392 -14.990 -12.736 1.00 29.29 ? 319 TYR A CA 1 ATOM 672 C C . TYR A 1 85 ? -30.581 -14.802 -13.636 1.00 34.28 ? 319 TYR A C 1 ATOM 673 O O . TYR A 1 85 ? -30.542 -13.957 -14.523 1.00 33.53 ? 319 TYR A O 1 ATOM 674 C CB . TYR A 1 85 ? -29.056 -13.705 -11.960 1.00 29.31 ? 319 TYR A CB 1 ATOM 675 C CG . TYR A 1 85 ? -27.989 -13.965 -10.927 1.00 29.40 ? 319 TYR A CG 1 ATOM 676 C CD1 . TYR A 1 85 ? -26.634 -13.848 -11.245 1.00 30.30 ? 319 TYR A CD1 1 ATOM 677 C CD2 . TYR A 1 85 ? -28.319 -14.466 -9.669 1.00 29.74 ? 319 TYR A CD2 1 ATOM 678 C CE1 . TYR A 1 85 ? -25.645 -14.159 -10.320 1.00 29.33 ? 319 TYR A CE1 1 ATOM 679 C CE2 . TYR A 1 85 ? -27.335 -14.809 -8.743 1.00 30.21 ? 319 TYR A CE2 1 ATOM 680 C CZ . TYR A 1 85 ? -26.001 -14.634 -9.067 1.00 35.94 ? 319 TYR A CZ 1 ATOM 681 O OH . TYR A 1 85 ? -25.036 -14.935 -8.141 1.00 34.07 ? 319 TYR A OH 1 ATOM 682 N N . LYS A 1 86 ? -31.627 -15.621 -13.435 1.00 31.33 ? 320 LYS A N 1 ATOM 683 C CA . LYS A 1 86 ? -32.806 -15.560 -14.282 1.00 31.42 ? 320 LYS A CA 1 ATOM 684 C C . LYS A 1 86 ? -34.019 -15.068 -13.549 1.00 33.76 ? 320 LYS A C 1 ATOM 685 O O . LYS A 1 86 ? -34.357 -15.571 -12.474 1.00 32.27 ? 320 LYS A O 1 ATOM 686 C CB . LYS A 1 86 ? -33.057 -16.930 -14.920 1.00 34.16 ? 320 LYS A CB 1 ATOM 687 C CG . LYS A 1 86 ? -34.290 -17.010 -15.792 1.00 43.16 ? 320 LYS A CG 1 ATOM 688 C CD . LYS A 1 86 ? -34.307 -18.356 -16.416 1.00 53.25 ? 320 LYS A CD 1 ATOM 689 C CE . LYS A 1 86 ? -35.701 -18.765 -16.716 1.00 73.21 ? 320 LYS A CE 1 ATOM 690 N NZ . LYS A 1 86 ? -35.724 -20.068 -17.424 1.00 86.48 ? 320 LYS A NZ 1 ATOM 691 N N . CYS A 1 87 ? -34.681 -14.088 -14.146 1.00 32.48 ? 321 CYS A N 1 ATOM 692 C CA . CYS A 1 87 ? -35.903 -13.537 -13.605 1.00 33.55 ? 321 CYS A CA 1 ATOM 693 C C . CYS A 1 87 ? -37.042 -13.954 -14.532 1.00 37.74 ? 321 CYS A C 1 ATOM 694 O O . CYS A 1 87 ? -37.002 -13.662 -15.728 1.00 36.25 ? 321 CYS A O 1 ATOM 695 C CB . CYS A 1 87 ? -35.827 -12.020 -13.476 1.00 34.18 ? 321 CYS A CB 1 ATOM 696 S SG . CYS A 1 87 ? -37.420 -11.269 -13.075 1.00 38.07 ? 321 CYS A SG 1 ATOM 697 N N . LYS A 1 88 ? -38.045 -14.641 -13.979 1.00 33.90 ? 322 LYS A N 1 ATOM 698 C CA . LYS A 1 88 ? -39.219 -15.058 -14.736 1.00 34.15 ? 322 LYS A CA 1 ATOM 699 C C . LYS A 1 88 ? -40.402 -14.251 -14.215 1.00 37.25 ? 322 LYS A C 1 ATOM 700 O O . LYS A 1 88 ? -40.684 -14.248 -13.014 1.00 37.10 ? 322 LYS A O 1 ATOM 701 C CB . LYS A 1 88 ? -39.448 -16.561 -14.580 1.00 37.42 ? 322 LYS A CB 1 ATOM 702 C CG . LYS A 1 88 ? -40.588 -17.096 -15.416 1.00 51.24 ? 322 LYS A CG 1 ATOM 703 C CD . LYS A 1 88 ? -40.717 -18.569 -15.167 1.00 63.29 ? 322 LYS A CD 1 ATOM 704 C CE . LYS A 1 88 ? -41.856 -19.148 -15.946 1.00 80.21 ? 322 LYS A CE 1 ATOM 705 N NZ . LYS A 1 88 ? -41.947 -20.616 -15.757 1.00 89.89 ? 322 LYS A NZ 1 ATOM 706 N N . VAL A 1 89 ? -41.056 -13.531 -15.112 1.00 33.77 ? 323 VAL A N 1 ATOM 707 C CA . VAL A 1 89 ? -42.172 -12.651 -14.771 1.00 33.36 ? 323 VAL A CA 1 ATOM 708 C C . VAL A 1 89 ? -43.501 -13.190 -15.287 1.00 38.16 ? 323 VAL A C 1 ATOM 709 O O . VAL A 1 89 ? -43.658 -13.394 -16.495 1.00 37.06 ? 323 VAL A O 1 ATOM 710 C CB . VAL A 1 89 ? -41.874 -11.213 -15.274 1.00 36.44 ? 323 VAL A CB 1 ATOM 711 C CG1 . VAL A 1 89 ? -43.115 -10.314 -15.246 1.00 35.87 ? 323 VAL A CG1 1 ATOM 712 C CG2 . VAL A 1 89 ? -40.733 -10.592 -14.479 1.00 36.55 ? 323 VAL A CG2 1 ATOM 713 N N . SER A 1 90 ? -44.460 -13.376 -14.370 1.00 36.38 ? 324 SER A N 1 ATOM 714 C CA . SER A 1 90 ? -45.823 -13.823 -14.679 1.00 36.89 ? 324 SER A CA 1 ATOM 715 C C . SER A 1 90 ? -46.827 -12.736 -14.325 1.00 41.07 ? 324 SER A C 1 ATOM 716 O O . SER A 1 90 ? -46.710 -12.073 -13.297 1.00 39.71 ? 324 SER A O 1 ATOM 717 C CB . SER A 1 90 ? -46.165 -15.112 -13.941 1.00 40.40 ? 324 SER A CB 1 ATOM 718 O OG . SER A 1 90 ? -45.435 -16.203 -14.478 1.00 48.21 ? 324 SER A OG 1 ATOM 719 N N . ASN A 1 91 ? -47.813 -12.551 -15.198 1.00 38.73 ? 325 ASN A N 1 ATOM 720 C CA . ASN A 1 91 ? -48.870 -11.557 -15.035 1.00 38.63 ? 325 ASN A CA 1 ATOM 721 C C . ASN A 1 91 ? -50.051 -12.007 -15.886 1.00 44.08 ? 325 ASN A C 1 ATOM 722 O O . ASN A 1 91 ? -49.851 -12.620 -16.941 1.00 41.67 ? 325 ASN A O 1 ATOM 723 C CB . ASN A 1 91 ? -48.374 -10.172 -15.454 1.00 36.14 ? 325 ASN A CB 1 ATOM 724 C CG . ASN A 1 91 ? -49.380 -9.064 -15.289 1.00 50.22 ? 325 ASN A CG 1 ATOM 725 O OD1 . ASN A 1 91 ? -50.014 -8.618 -16.254 1.00 44.93 ? 325 ASN A OD1 1 ATOM 726 N ND2 . ASN A 1 91 ? -49.531 -8.573 -14.072 1.00 37.44 ? 325 ASN A ND2 1 ATOM 727 N N . LYS A 1 92 ? -51.286 -11.751 -15.403 1.00 43.16 ? 326 LYS A N 1 ATOM 728 C CA . LYS A 1 92 ? -52.511 -12.153 -16.112 1.00 43.58 ? 326 LYS A CA 1 ATOM 729 C C . LYS A 1 92 ? -52.643 -11.583 -17.517 1.00 47.47 ? 326 LYS A C 1 ATOM 730 O O . LYS A 1 92 ? -53.161 -12.279 -18.395 1.00 48.62 ? 326 LYS A O 1 ATOM 731 C CB . LYS A 1 92 ? -53.761 -11.941 -15.263 1.00 46.92 ? 326 LYS A CB 1 ATOM 732 C CG . LYS A 1 92 ? -53.816 -12.963 -14.137 1.00 65.37 ? 326 LYS A CG 1 ATOM 733 C CD . LYS A 1 92 ? -55.036 -12.826 -13.264 1.00 75.53 ? 326 LYS A CD 1 ATOM 734 C CE . LYS A 1 92 ? -54.921 -13.702 -12.038 1.00 87.92 ? 326 LYS A CE 1 ATOM 735 N NZ . LYS A 1 92 ? -54.868 -15.153 -12.379 1.00 98.77 ? 326 LYS A NZ 1 ATOM 736 N N . ALA A 1 93 ? -52.085 -10.378 -17.753 1.00 42.02 ? 327 ALA A N 1 ATOM 737 C CA . ALA A 1 93 ? -52.061 -9.750 -19.070 1.00 41.86 ? 327 ALA A CA 1 ATOM 738 C C . ALA A 1 93 ? -50.956 -10.337 -19.979 1.00 46.43 ? 327 ALA A C 1 ATOM 739 O O . ALA A 1 93 ? -50.763 -9.838 -21.094 1.00 46.77 ? 327 ALA A O 1 ATOM 740 C CB . ALA A 1 93 ? -51.883 -8.247 -18.922 1.00 42.64 ? 327 ALA A CB 1 ATOM 741 N N . LEU A 1 94 ? -50.244 -11.395 -19.513 1.00 42.06 ? 328 LEU A N 1 ATOM 742 C CA . LEU A 1 94 ? -49.186 -12.051 -20.281 1.00 41.61 ? 328 LEU A CA 1 ATOM 743 C C . LEU A 1 94 ? -49.583 -13.473 -20.647 1.00 46.14 ? 328 LEU A C 1 ATOM 744 O O . LEU A 1 94 ? -49.668 -14.323 -19.750 1.00 45.79 ? 328 LEU A O 1 ATOM 745 C CB . LEU A 1 94 ? -47.828 -12.067 -19.540 1.00 41.35 ? 328 LEU A CB 1 ATOM 746 C CG . LEU A 1 94 ? -47.096 -10.746 -19.372 1.00 45.03 ? 328 LEU A CG 1 ATOM 747 C CD1 . LEU A 1 94 ? -45.902 -10.913 -18.432 1.00 44.67 ? 328 LEU A CD1 1 ATOM 748 C CD2 . LEU A 1 94 ? -46.657 -10.176 -20.715 1.00 44.80 ? 328 LEU A CD2 1 ATOM 749 N N . PRO A 1 95 ? -49.780 -13.782 -21.949 1.00 43.78 ? 329 PRO A N 1 ATOM 750 C CA . PRO A 1 95 ? -50.165 -15.149 -22.363 1.00 43.60 ? 329 PRO A CA 1 ATOM 751 C C . PRO A 1 95 ? -49.147 -16.213 -21.955 1.00 47.08 ? 329 PRO A C 1 ATOM 752 O O . PRO A 1 95 ? -49.495 -17.354 -21.621 1.00 46.21 ? 329 PRO A O 1 ATOM 753 C CB . PRO A 1 95 ? -50.266 -15.056 -23.884 1.00 45.60 ? 329 PRO A CB 1 ATOM 754 C CG . PRO A 1 95 ? -50.480 -13.602 -24.165 1.00 49.98 ? 329 PRO A CG 1 ATOM 755 C CD . PRO A 1 95 ? -49.706 -12.872 -23.125 1.00 45.15 ? 329 PRO A CD 1 ATOM 756 N N . ALA A 1 96 ? -47.874 -15.816 -21.989 1.00 42.77 ? 330 ALA A N 1 ATOM 757 C CA . ALA A 1 96 ? -46.751 -16.649 -21.605 1.00 41.55 ? 330 ALA A CA 1 ATOM 758 C C . ALA A 1 96 ? -45.814 -15.758 -20.780 1.00 43.12 ? 330 ALA A C 1 ATOM 759 O O . ALA A 1 96 ? -45.693 -14.561 -21.080 1.00 41.08 ? 330 ALA A O 1 ATOM 760 C CB . ALA A 1 96 ? -46.036 -17.175 -22.843 1.00 42.23 ? 330 ALA A CB 1 ATOM 761 N N . PRO A 1 97 ? -45.204 -16.309 -19.704 1.00 40.10 ? 331 PRO A N 1 ATOM 762 C CA . PRO A 1 97 ? -44.279 -15.497 -18.881 1.00 39.32 ? 331 PRO A CA 1 ATOM 763 C C . PRO A 1 97 ? -43.102 -14.961 -19.688 1.00 40.11 ? 331 PRO A C 1 ATOM 764 O O . PRO A 1 97 ? -42.733 -15.546 -20.718 1.00 38.46 ? 331 PRO A O 1 ATOM 765 C CB . PRO A 1 97 ? -43.764 -16.496 -17.829 1.00 41.42 ? 331 PRO A CB 1 ATOM 766 C CG . PRO A 1 97 ? -44.781 -17.590 -17.794 1.00 46.51 ? 331 PRO A CG 1 ATOM 767 C CD . PRO A 1 97 ? -45.278 -17.702 -19.208 1.00 42.17 ? 331 PRO A CD 1 ATOM 768 N N . ILE A 1 98 ? -42.530 -13.838 -19.228 1.00 35.19 ? 332 ILE A N 1 ATOM 769 C CA . ILE A 1 98 ? -41.348 -13.257 -19.854 1.00 34.61 ? 332 ILE A CA 1 ATOM 770 C C . ILE A 1 98 ? -40.147 -13.580 -18.953 1.00 36.97 ? 332 ILE A C 1 ATOM 771 O O . ILE A 1 98 ? -40.253 -13.451 -17.736 1.00 34.88 ? 332 ILE A O 1 ATOM 772 C CB . ILE A 1 98 ? -41.525 -11.748 -20.153 1.00 37.47 ? 332 ILE A CB 1 ATOM 773 C CG1 . ILE A 1 98 ? -42.563 -11.556 -21.288 1.00 38.04 ? 332 ILE A CG1 1 ATOM 774 C CG2 . ILE A 1 98 ? -40.163 -11.099 -20.532 1.00 36.99 ? 332 ILE A CG2 1 ATOM 775 C CD1 . ILE A 1 98 ? -43.097 -10.178 -21.379 1.00 47.49 ? 332 ILE A CD1 1 ATOM 776 N N . GLU A 1 99 ? -39.045 -14.073 -19.556 1.00 33.84 ? 333 GLU A N 1 ATOM 777 C CA . GLU A 1 99 ? -37.812 -14.437 -18.853 1.00 33.40 ? 333 GLU A CA 1 ATOM 778 C C . GLU A 1 99 ? -36.668 -13.607 -19.350 1.00 34.97 ? 333 GLU A C 1 ATOM 779 O O . GLU A 1 99 ? -36.564 -13.357 -20.549 1.00 35.94 ? 333 GLU A O 1 ATOM 780 C CB . GLU A 1 99 ? -37.434 -15.905 -19.100 1.00 35.20 ? 333 GLU A CB 1 ATOM 781 C CG . GLU A 1 99 ? -38.415 -16.946 -18.602 1.00 48.17 ? 333 GLU A CG 1 ATOM 782 C CD . GLU A 1 99 ? -38.020 -18.354 -18.999 1.00 73.85 ? 333 GLU A CD 1 ATOM 783 O OE1 . GLU A 1 99 ? -37.062 -18.508 -19.792 1.00 74.68 ? 333 GLU A OE1 1 ATOM 784 O OE2 . GLU A 1 99 ? -38.606 -19.308 -18.439 1.00 73.47 ? 333 GLU A OE2 1 ATOM 785 N N . LYS A 1 100 ? -35.777 -13.218 -18.442 1.00 29.81 ? 334 LYS A N 1 ATOM 786 C CA . LYS A 1 100 ? -34.574 -12.448 -18.757 1.00 29.24 ? 334 LYS A CA 1 ATOM 787 C C . LYS A 1 100 ? -33.471 -13.055 -17.916 1.00 31.45 ? 334 LYS A C 1 ATOM 788 O O . LYS A 1 100 ? -33.741 -13.468 -16.788 1.00 29.24 ? 334 LYS A O 1 ATOM 789 C CB . LYS A 1 100 ? -34.761 -10.971 -18.365 1.00 31.93 ? 334 LYS A CB 1 ATOM 790 C CG . LYS A 1 100 ? -35.826 -10.233 -19.144 1.00 41.03 ? 334 LYS A CG 1 ATOM 791 C CD . LYS A 1 100 ? -35.293 -9.731 -20.457 1.00 42.01 ? 334 LYS A CD 1 ATOM 792 C CE . LYS A 1 100 ? -36.429 -9.384 -21.361 1.00 56.66 ? 334 LYS A CE 1 ATOM 793 N NZ . LYS A 1 100 ? -35.972 -9.249 -22.760 1.00 68.13 ? 334 LYS A NZ 1 ATOM 794 N N . THR A 1 101 ? -32.255 -13.158 -18.470 1.00 28.79 ? 335 THR A N 1 ATOM 795 C CA . THR A 1 101 ? -31.106 -13.722 -17.745 1.00 29.10 ? 335 THR A CA 1 ATOM 796 C C . THR A 1 101 ? -29.945 -12.744 -17.760 1.00 32.17 ? 335 THR A C 1 ATOM 797 O O . THR A 1 101 ? -29.751 -12.021 -18.742 1.00 31.51 ? 335 THR A O 1 ATOM 798 C CB . THR A 1 101 ? -30.658 -15.091 -18.296 1.00 42.14 ? 335 THR A CB 1 ATOM 799 O OG1 . THR A 1 101 ? -30.274 -14.926 -19.654 1.00 52.55 ? 335 THR A OG1 1 ATOM 800 C CG2 . THR A 1 101 ? -31.730 -16.164 -18.192 1.00 38.52 ? 335 THR A CG2 1 ATOM 801 N N . ILE A 1 102 ? -29.171 -12.732 -16.679 1.00 28.21 ? 336 ILE A N 1 ATOM 802 C CA . ILE A 1 102 ? -28.018 -11.842 -16.586 1.00 29.15 ? 336 ILE A CA 1 ATOM 803 C C . ILE A 1 102 ? -26.872 -12.514 -15.876 1.00 31.69 ? 336 ILE A C 1 ATOM 804 O O . ILE A 1 102 ? -27.073 -13.382 -15.029 1.00 30.66 ? 336 ILE A O 1 ATOM 805 C CB . ILE A 1 102 ? -28.408 -10.481 -15.929 1.00 32.34 ? 336 ILE A CB 1 ATOM 806 C CG1 . ILE A 1 102 ? -27.364 -9.402 -16.220 1.00 33.86 ? 336 ILE A CG1 1 ATOM 807 C CG2 . ILE A 1 102 ? -28.661 -10.633 -14.421 1.00 32.16 ? 336 ILE A CG2 1 ATOM 808 C CD1 . ILE A 1 102 ? -27.826 -8.003 -16.020 1.00 40.50 ? 336 ILE A CD1 1 ATOM 809 N N . SER A 1 103 ? -25.658 -12.101 -16.221 1.00 30.60 ? 337 SER A N 1 ATOM 810 C CA . SER A 1 103 ? -24.457 -12.573 -15.547 1.00 30.20 ? 337 SER A CA 1 ATOM 811 C C . SER A 1 103 ? -23.351 -11.550 -15.784 1.00 32.14 ? 337 SER A C 1 ATOM 812 O O . SER A 1 103 ? -23.507 -10.642 -16.590 1.00 31.50 ? 337 SER A O 1 ATOM 813 C CB . SER A 1 103 ? -24.058 -13.979 -16.024 1.00 33.23 ? 337 SER A CB 1 ATOM 814 O OG . SER A 1 103 ? -23.630 -13.980 -17.365 1.00 39.16 ? 337 SER A OG 1 ATOM 815 N N . LYS A 1 104 ? -22.270 -11.665 -15.036 1.00 28.88 ? 338 LYS A N 1 ATOM 816 C CA . LYS A 1 104 ? -21.089 -10.813 -15.165 1.00 29.89 ? 338 LYS A CA 1 ATOM 817 C C . LYS A 1 104 ? -20.552 -10.852 -16.615 1.00 33.88 ? 338 LYS A C 1 ATOM 818 O O . LYS A 1 104 ? -20.786 -11.833 -17.315 1.00 31.72 ? 338 LYS A O 1 ATOM 819 C CB . LYS A 1 104 ? -20.054 -11.408 -14.221 1.00 33.45 ? 338 LYS A CB 1 ATOM 820 C CG . LYS A 1 104 ? -18.821 -10.598 -13.969 1.00 47.98 ? 338 LYS A CG 1 ATOM 821 C CD . LYS A 1 104 ? -17.838 -11.501 -13.265 1.00 54.45 ? 338 LYS A CD 1 ATOM 822 C CE . LYS A 1 104 ? -16.765 -12.007 -14.192 1.00 50.78 ? 338 LYS A CE 1 ATOM 823 N NZ . LYS A 1 104 ? -15.765 -12.783 -13.424 1.00 55.19 ? 338 LYS A NZ 1 ATOM 824 N N . ALA A 1 105 ? -19.846 -9.798 -17.074 1.00 34.78 ? 339 ALA A N 1 ATOM 825 C CA . ALA A 1 105 ? -19.252 -9.779 -18.431 1.00 35.93 ? 339 ALA A CA 1 ATOM 826 C C . ALA A 1 105 ? -18.370 -11.037 -18.625 1.00 40.64 ? 339 ALA A C 1 ATOM 827 O O . ALA A 1 105 ? -17.695 -11.448 -17.683 1.00 40.53 ? 339 ALA A O 1 ATOM 828 C CB . ALA A 1 105 ? -18.434 -8.512 -18.621 1.00 36.97 ? 339 ALA A CB 1 ATOM 829 N N . LYS A 1 106 ? -18.443 -11.683 -19.797 1.00 40.03 ? 340 LYS A N 1 ATOM 830 C CA . LYS A 1 106 ? -17.773 -12.966 -20.047 1.00 41.12 ? 340 LYS A CA 1 ATOM 831 C C . LYS A 1 106 ? -16.325 -13.052 -20.529 1.00 45.47 ? 340 LYS A C 1 ATOM 832 O O . LYS A 1 106 ? -15.748 -14.147 -20.478 1.00 47.11 ? 340 LYS A O 1 ATOM 833 C CB . LYS A 1 106 ? -18.671 -13.917 -20.849 1.00 44.80 ? 340 LYS A CB 1 ATOM 834 C CG . LYS A 1 106 ? -19.318 -14.977 -19.969 1.00 62.68 ? 340 LYS A CG 1 ATOM 835 C CD . LYS A 1 106 ? -20.091 -16.021 -20.781 1.00 73.55 ? 340 LYS A CD 1 ATOM 836 C CE . LYS A 1 106 ? -19.433 -17.383 -20.771 1.00 83.50 ? 340 LYS A CE 1 ATOM 837 N NZ . LYS A 1 106 ? -18.504 -17.580 -21.921 1.00 89.23 ? 340 LYS A NZ 1 ATOM 838 N N . GLY A 1 107 ? -15.728 -11.956 -20.965 1.00 40.28 ? 341 GLY A N 1 ATOM 839 C CA . GLY A 1 107 ? -14.335 -12.020 -21.418 1.00 39.62 ? 341 GLY A CA 1 ATOM 840 C C . GLY A 1 107 ? -13.315 -12.425 -20.352 1.00 42.33 ? 341 GLY A C 1 ATOM 841 O O . GLY A 1 107 ? -13.623 -12.496 -19.155 1.00 41.60 ? 341 GLY A O 1 ATOM 842 N N . GLN A 1 108 ? -12.082 -12.715 -20.789 1.00 37.56 ? 342 GLN A N 1 ATOM 843 C CA . GLN A 1 108 ? -10.995 -13.118 -19.895 1.00 36.91 ? 342 GLN A CA 1 ATOM 844 C C . GLN A 1 108 ? -10.634 -11.968 -18.911 1.00 36.63 ? 342 GLN A C 1 ATOM 845 O O . GLN A 1 108 ? -10.385 -10.855 -19.364 1.00 35.34 ? 342 GLN A O 1 ATOM 846 C CB . GLN A 1 108 ? -9.784 -13.553 -20.743 1.00 38.70 ? 342 GLN A CB 1 ATOM 847 C CG . GLN A 1 108 ? -8.417 -13.350 -20.091 1.00 58.39 ? 342 GLN A CG 1 ATOM 848 C CD . GLN A 1 108 ? -7.997 -14.560 -19.319 1.00 81.93 ? 342 GLN A CD 1 ATOM 849 O OE1 . GLN A 1 108 ? -7.607 -15.581 -19.894 1.00 80.53 ? 342 GLN A OE1 1 ATOM 850 N NE2 . GLN A 1 108 ? -8.041 -14.465 -18.001 1.00 73.82 ? 342 GLN A NE2 1 ATOM 851 N N . PRO A 1 109 ? -10.637 -12.186 -17.582 1.00 32.54 ? 343 PRO A N 1 ATOM 852 C CA . PRO A 1 109 ? -10.286 -11.078 -16.669 1.00 32.60 ? 343 PRO A CA 1 ATOM 853 C C . PRO A 1 109 ? -8.830 -10.642 -16.871 1.00 36.00 ? 343 PRO A C 1 ATOM 854 O O . PRO A 1 109 ? -7.968 -11.481 -17.152 1.00 35.86 ? 343 PRO A O 1 ATOM 855 C CB . PRO A 1 109 ? -10.493 -11.680 -15.274 1.00 34.67 ? 343 PRO A CB 1 ATOM 856 C CG . PRO A 1 109 ? -11.400 -12.865 -15.504 1.00 39.60 ? 343 PRO A CG 1 ATOM 857 C CD . PRO A 1 109 ? -10.961 -13.413 -16.825 1.00 34.48 ? 343 PRO A CD 1 ATOM 858 N N . ARG A 1 110 ? -8.587 -9.323 -16.828 1.00 30.84 ? 344 ARG A N 1 ATOM 859 C CA . ARG A 1 110 ? -7.262 -8.717 -16.984 1.00 30.46 ? 344 ARG A CA 1 ATOM 860 C C . ARG A 1 110 ? -7.083 -7.779 -15.811 1.00 32.75 ? 344 ARG A C 1 ATOM 861 O O . ARG A 1 110 ? -7.974 -6.985 -15.500 1.00 30.61 ? 344 ARG A O 1 ATOM 862 C CB . ARG A 1 110 ? -7.137 -7.918 -18.297 1.00 31.68 ? 344 ARG A CB 1 ATOM 863 C CG . ARG A 1 110 ? -7.424 -8.686 -19.582 1.00 42.39 ? 344 ARG A CG 1 ATOM 864 C CD . ARG A 1 110 ? -6.875 -7.916 -20.764 1.00 56.12 ? 344 ARG A CD 1 ATOM 865 N NE . ARG A 1 110 ? -7.522 -8.289 -22.020 1.00 71.38 ? 344 ARG A NE 1 ATOM 866 C CZ . ARG A 1 110 ? -7.325 -7.663 -23.180 1.00 90.57 ? 344 ARG A CZ 1 ATOM 867 N NH1 . ARG A 1 110 ? -7.973 -8.059 -24.270 1.00 77.45 ? 344 ARG A NH1 1 ATOM 868 N NH2 . ARG A 1 110 ? -6.511 -6.616 -23.252 1.00 77.35 ? 344 ARG A NH2 1 ATOM 869 N N . GLU A 1 111 ? -5.943 -7.885 -15.170 1.00 32.03 ? 345 GLU A N 1 ATOM 870 C CA . GLU A 1 111 ? -5.554 -7.128 -13.997 1.00 33.55 ? 345 GLU A CA 1 ATOM 871 C C . GLU A 1 111 ? -5.224 -5.669 -14.333 1.00 37.62 ? 345 GLU A C 1 ATOM 872 O O . GLU A 1 111 ? -4.428 -5.412 -15.237 1.00 37.06 ? 345 GLU A O 1 ATOM 873 C CB . GLU A 1 111 ? -4.324 -7.821 -13.387 1.00 35.44 ? 345 GLU A CB 1 ATOM 874 C CG . GLU A 1 111 ? -3.846 -7.276 -12.065 1.00 47.26 ? 345 GLU A CG 1 ATOM 875 C CD . GLU A 1 111 ? -2.773 -8.118 -11.404 1.00 62.86 ? 345 GLU A CD 1 ATOM 876 O OE1 . GLU A 1 111 ? -1.947 -8.726 -12.122 1.00 57.49 ? 345 GLU A OE1 1 ATOM 877 O OE2 . GLU A 1 111 ? -2.750 -8.155 -10.156 1.00 64.92 ? 345 GLU A OE2 1 ATOM 878 N N . PRO A 1 112 ? -5.787 -4.693 -13.587 1.00 34.75 ? 346 PRO A N 1 ATOM 879 C CA . PRO A 1 112 ? -5.420 -3.289 -13.842 1.00 35.04 ? 346 PRO A CA 1 ATOM 880 C C . PRO A 1 112 ? -3.958 -2.996 -13.497 1.00 40.48 ? 346 PRO A C 1 ATOM 881 O O . PRO A 1 112 ? -3.380 -3.606 -12.594 1.00 41.03 ? 346 PRO A O 1 ATOM 882 C CB . PRO A 1 112 ? -6.336 -2.493 -12.911 1.00 37.02 ? 346 PRO A CB 1 ATOM 883 C CG . PRO A 1 112 ? -6.821 -3.461 -11.891 1.00 40.89 ? 346 PRO A CG 1 ATOM 884 C CD . PRO A 1 112 ? -6.783 -4.817 -12.500 1.00 35.95 ? 346 PRO A CD 1 ATOM 885 N N . GLN A 1 113 ? -3.356 -2.077 -14.241 1.00 37.31 ? 347 GLN A N 1 ATOM 886 C CA . GLN A 1 113 ? -2.000 -1.595 -13.963 1.00 36.65 ? 347 GLN A CA 1 ATOM 887 C C . GLN A 1 113 ? -2.221 -0.215 -13.384 1.00 36.46 ? 347 GLN A C 1 ATOM 888 O O . GLN A 1 113 ? -3.008 0.552 -13.936 1.00 35.70 ? 347 GLN A O 1 ATOM 889 C CB . GLN A 1 113 ? -1.153 -1.537 -15.235 1.00 38.48 ? 347 GLN A CB 1 ATOM 890 C CG . GLN A 1 113 ? -0.868 -2.941 -15.760 1.00 57.64 ? 347 GLN A CG 1 ATOM 891 C CD . GLN A 1 113 ? -0.439 -2.878 -17.187 1.00 84.14 ? 347 GLN A CD 1 ATOM 892 O OE1 . GLN A 1 113 ? -1.261 -2.923 -18.109 1.00 77.93 ? 347 GLN A OE1 1 ATOM 893 N NE2 . GLN A 1 113 ? 0.859 -2.723 -17.396 1.00 82.46 ? 347 GLN A NE2 1 ATOM 894 N N . VAL A 1 114 ? -1.633 0.051 -12.221 1.00 32.48 ? 348 VAL A N 1 ATOM 895 C CA . VAL A 1 114 ? -1.863 1.297 -11.494 1.00 33.26 ? 348 VAL A CA 1 ATOM 896 C C . VAL A 1 114 ? -0.582 2.146 -11.392 1.00 38.68 ? 348 VAL A C 1 ATOM 897 O O . VAL A 1 114 ? 0.442 1.652 -10.921 1.00 35.98 ? 348 VAL A O 1 ATOM 898 C CB . VAL A 1 114 ? -2.487 1.011 -10.098 1.00 36.85 ? 348 VAL A CB 1 ATOM 899 C CG1 . VAL A 1 114 ? -2.966 2.301 -9.453 1.00 36.77 ? 348 VAL A CG1 1 ATOM 900 C CG2 . VAL A 1 114 ? -3.654 0.024 -10.203 1.00 36.40 ? 348 VAL A CG2 1 ATOM 901 N N . TYR A 1 115 ? -0.658 3.406 -11.861 1.00 39.26 ? 349 TYR A N 1 ATOM 902 C CA . TYR A 1 115 ? 0.452 4.376 -11.811 1.00 41.53 ? 349 TYR A CA 1 ATOM 903 C C . TYR A 1 115 ? 0.004 5.665 -11.134 1.00 47.26 ? 349 TYR A C 1 ATOM 904 O O . TYR A 1 115 ? -1.128 6.113 -11.347 1.00 46.01 ? 349 TYR A O 1 ATOM 905 C CB . TYR A 1 115 ? 0.988 4.707 -13.222 1.00 44.02 ? 349 TYR A CB 1 ATOM 906 C CG . TYR A 1 115 ? 1.400 3.477 -14.002 1.00 48.47 ? 349 TYR A CG 1 ATOM 907 C CD1 . TYR A 1 115 ? 0.633 3.015 -15.067 1.00 51.40 ? 349 TYR A CD1 1 ATOM 908 C CD2 . TYR A 1 115 ? 2.510 2.720 -13.618 1.00 50.21 ? 349 TYR A CD2 1 ATOM 909 C CE1 . TYR A 1 115 ? 0.975 1.847 -15.754 1.00 53.60 ? 349 TYR A CE1 1 ATOM 910 C CE2 . TYR A 1 115 ? 2.866 1.558 -14.305 1.00 51.79 ? 349 TYR A CE2 1 ATOM 911 C CZ . TYR A 1 115 ? 2.094 1.126 -15.372 1.00 61.39 ? 349 TYR A CZ 1 ATOM 912 O OH . TYR A 1 115 ? 2.428 -0.020 -16.056 1.00 64.22 ? 349 TYR A OH 1 ATOM 913 N N . THR A 1 116 ? 0.903 6.272 -10.336 1.00 45.56 ? 350 THR A N 1 ATOM 914 C CA . THR A 1 116 ? 0.626 7.548 -9.668 1.00 46.85 ? 350 THR A CA 1 ATOM 915 C C . THR A 1 116 ? 1.382 8.675 -10.319 1.00 53.71 ? 350 THR A C 1 ATOM 916 O O . THR A 1 116 ? 2.544 8.512 -10.706 1.00 54.17 ? 350 THR A O 1 ATOM 917 C CB . THR A 1 116 ? 1.021 7.528 -8.207 1.00 59.80 ? 350 THR A CB 1 ATOM 918 O OG1 . THR A 1 116 ? 2.433 7.339 -8.128 1.00 67.39 ? 350 THR A OG1 1 ATOM 919 C CG2 . THR A 1 116 ? 0.266 6.505 -7.410 1.00 59.36 ? 350 THR A CG2 1 ATOM 920 N N . LEU A 1 117 ? 0.728 9.829 -10.411 1.00 52.10 ? 351 LEU A N 1 ATOM 921 C CA . LEU A 1 117 ? 1.296 11.016 -11.011 1.00 53.21 ? 351 LEU A CA 1 ATOM 922 C C . LEU A 1 117 ? 1.294 12.191 -10.040 1.00 55.76 ? 351 LEU A C 1 ATOM 923 O O . LEU A 1 117 ? 0.216 12.701 -9.710 1.00 54.82 ? 351 LEU A O 1 ATOM 924 C CB . LEU A 1 117 ? 0.503 11.391 -12.269 1.00 54.21 ? 351 LEU A CB 1 ATOM 925 C CG . LEU A 1 117 ? 0.902 10.747 -13.579 1.00 60.78 ? 351 LEU A CG 1 ATOM 926 C CD1 . LEU A 1 117 ? 0.657 9.243 -13.578 1.00 61.81 ? 351 LEU A CD1 1 ATOM 927 C CD2 . LEU A 1 117 ? 0.114 11.354 -14.713 1.00 64.67 ? 351 LEU A CD2 1 ATOM 928 N N . PRO A 1 118 ? 2.496 12.689 -9.649 1.00 52.32 ? 352 PRO A N 1 ATOM 929 C CA . PRO A 1 118 ? 2.564 13.880 -8.781 1.00 52.27 ? 352 PRO A CA 1 ATOM 930 C C . PRO A 1 118 ? 2.096 15.141 -9.521 1.00 56.25 ? 352 PRO A C 1 ATOM 931 O O . PRO A 1 118 ? 1.988 15.113 -10.752 1.00 54.44 ? 352 PRO A O 1 ATOM 932 C CB . PRO A 1 118 ? 4.059 13.984 -8.440 1.00 54.18 ? 352 PRO A CB 1 ATOM 933 C CG . PRO A 1 118 ? 4.649 12.666 -8.815 1.00 58.50 ? 352 PRO A CG 1 ATOM 934 C CD . PRO A 1 118 ? 3.848 12.206 -9.982 1.00 53.95 ? 352 PRO A CD 1 ATOM 935 N N . PRO A 1 119 ? 1.796 16.254 -8.814 1.00 55.46 ? 353 PRO A N 1 ATOM 936 C CA . PRO A 1 119 ? 1.361 17.469 -9.520 1.00 56.52 ? 353 PRO A CA 1 ATOM 937 C C . PRO A 1 119 ? 2.458 17.998 -10.439 1.00 65.27 ? 353 PRO A C 1 ATOM 938 O O . PRO A 1 119 ? 3.643 17.914 -10.097 1.00 64.64 ? 353 PRO A O 1 ATOM 939 C CB . PRO A 1 119 ? 1.061 18.451 -8.381 1.00 57.82 ? 353 PRO A CB 1 ATOM 940 C CG . PRO A 1 119 ? 0.924 17.614 -7.171 1.00 61.53 ? 353 PRO A CG 1 ATOM 941 C CD . PRO A 1 119 ? 1.858 16.488 -7.361 1.00 56.91 ? 353 PRO A CD 1 ATOM 942 N N . SER A 1 120 ? 2.069 18.486 -11.628 1.00 66.33 ? 354 SER A N 1 ATOM 943 C CA . SER A 1 120 ? 3.023 19.054 -12.584 1.00 68.42 ? 354 SER A CA 1 ATOM 944 C C . SER A 1 120 ? 3.462 20.419 -12.058 1.00 76.23 ? 354 SER A C 1 ATOM 945 O O . SER A 1 120 ? 2.709 21.034 -11.309 1.00 75.41 ? 354 SER A O 1 ATOM 946 C CB . SER A 1 120 ? 2.407 19.167 -13.978 1.00 72.55 ? 354 SER A CB 1 ATOM 947 O OG . SER A 1 120 ? 1.303 20.053 -14.046 1.00 81.51 ? 354 SER A OG 1 ATOM 948 N N . ARG A 1 121 ? 4.684 20.877 -12.400 1.00 75.77 ? 355 ARG A N 1 ATOM 949 C CA . ARG A 1 121 ? 5.188 22.179 -11.935 1.00 76.55 ? 355 ARG A CA 1 ATOM 950 C C . ARG A 1 121 ? 4.227 23.328 -12.242 1.00 81.97 ? 355 ARG A C 1 ATOM 951 O O . ARG A 1 121 ? 4.061 24.226 -11.407 1.00 81.50 ? 355 ARG A O 1 ATOM 952 C CB . ARG A 1 121 ? 6.600 22.450 -12.447 1.00 77.73 ? 355 ARG A CB 1 ATOM 953 C CG . ARG A 1 121 ? 7.657 22.198 -11.382 1.00 89.16 ? 355 ARG A CG 1 ATOM 954 C CD . ARG A 1 121 ? 9.031 22.651 -11.836 1.00 99.70 ? 355 ARG A CD 1 ATOM 955 N NE . ARG A 1 121 ? 9.804 21.562 -12.439 1.00 109.38 ? 355 ARG A NE 1 ATOM 956 C CZ . ARG A 1 121 ? 10.228 21.540 -13.701 1.00 123.84 ? 355 ARG A CZ 1 ATOM 957 N NH1 . ARG A 1 121 ? 10.928 20.507 -14.153 1.00 111.07 ? 355 ARG A NH1 1 ATOM 958 N NH2 . ARG A 1 121 ? 9.961 22.553 -14.518 1.00 109.37 ? 355 ARG A NH2 1 ATOM 959 N N . GLU A 1 122 ? 3.530 23.248 -13.399 1.00 79.84 ? 356 GLU A N 1 ATOM 960 C CA . GLU A 1 122 ? 2.492 24.209 -13.755 1.00 80.40 ? 356 GLU A CA 1 ATOM 961 C C . GLU A 1 122 ? 1.321 24.043 -12.779 1.00 85.46 ? 356 GLU A C 1 ATOM 962 O O . GLU A 1 122 ? 0.811 25.044 -12.271 1.00 85.72 ? 356 GLU A O 1 ATOM 963 C CB . GLU A 1 122 ? 2.021 24.044 -15.215 1.00 81.90 ? 356 GLU A CB 1 ATOM 964 C CG . GLU A 1 122 ? 1.081 25.155 -15.688 1.00 93.50 ? 356 GLU A CG 1 ATOM 965 C CD . GLU A 1 122 ? 1.578 26.591 -15.622 1.00 115.88 ? 356 GLU A CD 1 ATOM 966 O OE1 . GLU A 1 122 ? 2.813 26.807 -15.586 1.00 110.62 ? 356 GLU A OE1 1 ATOM 967 O OE2 . GLU A 1 122 ? 0.724 27.507 -15.630 1.00 110.16 ? 356 GLU A OE2 1 ATOM 968 N N . GLU A 1 123 ? 0.933 22.781 -12.482 1.00 81.78 ? 357 GLU A N 1 ATOM 969 C CA . GLU A 1 123 ? -0.149 22.469 -11.539 1.00 81.36 ? 357 GLU A CA 1 ATOM 970 C C . GLU A 1 123 ? 0.259 22.742 -10.075 1.00 84.33 ? 357 GLU A C 1 ATOM 971 O O . GLU A 1 123 ? -0.581 23.211 -9.307 1.00 83.37 ? 357 GLU A O 1 ATOM 972 C CB . GLU A 1 123 ? -0.585 20.991 -11.644 1.00 82.77 ? 357 GLU A CB 1 ATOM 973 C CG . GLU A 1 123 ? -1.329 20.579 -12.910 1.00 92.71 ? 357 GLU A CG 1 ATOM 974 C CD . GLU A 1 123 ? -1.432 19.075 -13.136 1.00 108.77 ? 357 GLU A CD 1 ATOM 975 O OE1 . GLU A 1 123 ? -0.845 18.296 -12.348 1.00 96.22 ? 357 GLU A OE1 1 ATOM 976 O OE2 . GLU A 1 123 ? -2.068 18.673 -14.137 1.00 102.98 ? 357 GLU A OE2 1 ATOM 977 N N . MET A 1 124 ? 1.525 22.420 -9.687 1.00 80.81 ? 358 MET A N 1 ATOM 978 C CA . MET A 1 124 ? 2.055 22.500 -8.318 1.00 80.48 ? 358 MET A CA 1 ATOM 979 C C . MET A 1 124 ? 2.196 23.853 -7.642 1.00 84.38 ? 358 MET A C 1 ATOM 980 O O . MET A 1 124 ? 2.140 23.891 -6.412 1.00 84.35 ? 358 MET A O 1 ATOM 981 C CB . MET A 1 124 ? 3.322 21.633 -8.116 1.00 82.82 ? 358 MET A CB 1 ATOM 982 C CG . MET A 1 124 ? 3.702 21.453 -6.639 1.00 86.47 ? 358 MET A CG 1 ATOM 983 S SD . MET A 1 124 ? 4.888 20.149 -6.251 1.00 90.76 ? 358 MET A SD 1 ATOM 984 C CE . MET A 1 124 ? 5.784 20.935 -4.947 1.00 87.26 ? 358 MET A CE 1 ATOM 985 N N . THR A 1 125 ? 2.403 24.946 -8.388 1.00 80.44 ? 359 THR A N 1 ATOM 986 C CA . THR A 1 125 ? 2.602 26.247 -7.734 1.00 79.72 ? 359 THR A CA 1 ATOM 987 C C . THR A 1 125 ? 1.396 26.767 -6.925 1.00 81.46 ? 359 THR A C 1 ATOM 988 O O . THR A 1 125 ? 1.572 27.470 -5.928 1.00 81.58 ? 359 THR A O 1 ATOM 989 C CB . THR A 1 125 ? 3.144 27.296 -8.717 1.00 88.20 ? 359 THR A CB 1 ATOM 990 O OG1 . THR A 1 125 ? 4.264 26.766 -9.428 1.00 88.28 ? 359 THR A OG1 1 ATOM 991 C CG2 . THR A 1 125 ? 3.595 28.551 -8.012 1.00 87.24 ? 359 THR A CG2 1 ATOM 992 N N . LYS A 1 126 ? 0.192 26.384 -7.338 1.00 75.59 ? 360 LYS A N 1 ATOM 993 C CA . LYS A 1 126 ? -1.072 26.871 -6.802 1.00 74.18 ? 360 LYS A CA 1 ATOM 994 C C . LYS A 1 126 ? -1.534 26.495 -5.389 1.00 75.59 ? 360 LYS A C 1 ATOM 995 O O . LYS A 1 126 ? -0.772 25.952 -4.620 1.00 75.86 ? 360 LYS A O 1 ATOM 996 C CB . LYS A 1 126 ? -2.160 26.741 -7.856 1.00 76.28 ? 360 LYS A CB 1 ATOM 997 C CG . LYS A 1 126 ? -1.786 27.548 -9.076 1.00 85.64 ? 360 LYS A CG 1 ATOM 998 C CD . LYS A 1 126 ? -2.918 27.655 -10.042 1.00 94.36 ? 360 LYS A CD 1 ATOM 999 C CE . LYS A 1 126 ? -2.548 28.566 -11.182 1.00 99.24 ? 360 LYS A CE 1 ATOM 1000 N NZ . LYS A 1 126 ? -1.383 28.046 -11.954 1.00 102.77 ? 360 LYS A NZ 1 ATOM 1001 N N . ASN A 1 127 ? -2.746 26.934 -5.031 1.00 69.88 ? 361 ASN A N 1 ATOM 1002 C CA . ASN A 1 127 ? -3.475 26.780 -3.762 1.00 68.74 ? 361 ASN A CA 1 ATOM 1003 C C . ASN A 1 127 ? -3.829 25.319 -3.436 1.00 69.48 ? 361 ASN A C 1 ATOM 1004 O O . ASN A 1 127 ? -3.620 24.858 -2.311 1.00 68.53 ? 361 ASN A O 1 ATOM 1005 C CB . ASN A 1 127 ? -4.768 27.610 -3.845 1.00 69.31 ? 361 ASN A CB 1 ATOM 1006 C CG . ASN A 1 127 ? -5.402 27.644 -5.232 1.00 95.44 ? 361 ASN A CG 1 ATOM 1007 O OD1 . ASN A 1 127 ? -4.982 26.958 -6.180 1.00 91.38 ? 361 ASN A OD1 1 ATOM 1008 N ND2 . ASN A 1 127 ? -6.420 28.469 -5.391 1.00 87.87 ? 361 ASN A ND2 1 ATOM 1009 N N . GLN A 1 128 ? -4.441 24.633 -4.413 1.00 63.86 ? 362 GLN A N 1 ATOM 1010 C CA . GLN A 1 128 ? -4.868 23.241 -4.337 1.00 62.16 ? 362 GLN A CA 1 ATOM 1011 C C . GLN A 1 128 ? -4.267 22.518 -5.520 1.00 63.55 ? 362 GLN A C 1 ATOM 1012 O O . GLN A 1 128 ? -4.266 23.058 -6.633 1.00 64.23 ? 362 GLN A O 1 ATOM 1013 C CB . GLN A 1 128 ? -6.396 23.136 -4.375 1.00 63.06 ? 362 GLN A CB 1 ATOM 1014 C CG . GLN A 1 128 ? -7.070 23.776 -3.167 1.00 74.66 ? 362 GLN A CG 1 ATOM 1015 C CD . GLN A 1 128 ? -8.571 23.826 -3.294 1.00 94.07 ? 362 GLN A CD 1 ATOM 1016 O OE1 . GLN A 1 128 ? -9.147 23.767 -4.389 1.00 87.98 ? 362 GLN A OE1 1 ATOM 1017 N NE2 . GLN A 1 128 ? -9.242 23.941 -2.162 1.00 89.29 ? 362 GLN A NE2 1 ATOM 1018 N N . VAL A 1 129 ? -3.714 21.327 -5.274 1.00 56.85 ? 363 VAL A N 1 ATOM 1019 C CA . VAL A 1 129 ? -3.058 20.502 -6.289 1.00 55.05 ? 363 VAL A CA 1 ATOM 1020 C C . VAL A 1 129 ? -3.816 19.203 -6.568 1.00 54.87 ? 363 VAL A C 1 ATOM 1021 O O . VAL A 1 129 ? -4.461 18.652 -5.678 1.00 52.30 ? 363 VAL A O 1 ATOM 1022 C CB . VAL A 1 129 ? -1.557 20.247 -5.988 1.00 58.69 ? 363 VAL A CB 1 ATOM 1023 C CG1 . VAL A 1 129 ? -0.769 21.551 -5.991 1.00 58.70 ? 363 VAL A CG1 1 ATOM 1024 C CG2 . VAL A 1 129 ? -1.361 19.497 -4.671 1.00 58.40 ? 363 VAL A CG2 1 ATOM 1025 N N . ASN A 1 130 ? -3.702 18.724 -7.810 1.00 49.75 ? 364 ASN A N 1 ATOM 1026 C CA . ASN A 1 130 ? -4.311 17.508 -8.302 1.00 47.91 ? 364 ASN A CA 1 ATOM 1027 C C . ASN A 1 130 ? -3.327 16.352 -8.226 1.00 46.88 ? 364 ASN A C 1 ATOM 1028 O O . ASN A 1 130 ? -2.208 16.462 -8.730 1.00 45.09 ? 364 ASN A O 1 ATOM 1029 C CB . ASN A 1 130 ? -4.751 17.712 -9.743 1.00 50.45 ? 364 ASN A CB 1 ATOM 1030 C CG . ASN A 1 130 ? -6.150 18.231 -9.908 1.00 91.31 ? 364 ASN A CG 1 ATOM 1031 O OD1 . ASN A 1 130 ? -7.025 18.080 -9.039 1.00 84.87 ? 364 ASN A OD1 1 ATOM 1032 N ND2 . ASN A 1 130 ? -6.387 18.823 -11.057 1.00 95.83 ? 364 ASN A ND2 1 ATOM 1033 N N . LEU A 1 131 ? -3.750 15.232 -7.587 1.00 41.25 ? 365 LEU A N 1 ATOM 1034 C CA . LEU A 1 131 ? -2.971 13.992 -7.498 1.00 39.67 ? 365 LEU A CA 1 ATOM 1035 C C . LEU A 1 131 ? -3.679 13.000 -8.388 1.00 40.80 ? 365 LEU A C 1 ATOM 1036 O O . LEU A 1 131 ? -4.904 12.876 -8.305 1.00 40.14 ? 365 LEU A O 1 ATOM 1037 C CB . LEU A 1 131 ? -2.887 13.459 -6.062 1.00 39.94 ? 365 LEU A CB 1 ATOM 1038 C CG . LEU A 1 131 ? -2.241 14.373 -5.028 1.00 45.00 ? 365 LEU A CG 1 ATOM 1039 C CD1 . LEU A 1 131 ? -2.422 13.809 -3.642 1.00 45.50 ? 365 LEU A CD1 1 ATOM 1040 C CD2 . LEU A 1 131 ? -0.764 14.590 -5.317 1.00 46.38 ? 365 LEU A CD2 1 ATOM 1041 N N . THR A 1 132 ? -2.938 12.351 -9.288 1.00 36.74 ? 366 THR A N 1 ATOM 1042 C CA . THR A 1 132 ? -3.549 11.455 -10.268 1.00 36.39 ? 366 THR A CA 1 ATOM 1043 C C . THR A 1 132 ? -3.168 9.995 -10.123 1.00 39.29 ? 366 THR A C 1 ATOM 1044 O O . THR A 1 132 ? -2.011 9.652 -9.899 1.00 38.17 ? 366 THR A O 1 ATOM 1045 C CB . THR A 1 132 ? -3.422 12.029 -11.706 1.00 47.76 ? 366 THR A CB 1 ATOM 1046 O OG1 . THR A 1 132 ? -3.992 13.336 -11.721 1.00 50.27 ? 366 THR A OG1 1 ATOM 1047 C CG2 . THR A 1 132 ? -4.159 11.181 -12.757 1.00 46.88 ? 366 THR A CG2 1 ATOM 1048 N N . CYS A 1 133 ? -4.168 9.138 -10.274 1.00 37.55 ? 367 CYS A N 1 ATOM 1049 C CA . CYS A 1 133 ? -4.001 7.707 -10.234 1.00 38.94 ? 367 CYS A CA 1 ATOM 1050 C C . CYS A 1 133 ? -4.471 7.186 -11.597 1.00 37.57 ? 367 CYS A C 1 ATOM 1051 O O . CYS A 1 133 ? -5.635 7.368 -11.933 1.00 34.55 ? 367 CYS A O 1 ATOM 1052 C CB . CYS A 1 133 ? -4.832 7.142 -9.091 1.00 41.71 ? 367 CYS A CB 1 ATOM 1053 S SG . CYS A 1 133 ? -4.663 5.365 -8.866 1.00 47.49 ? 367 CYS A SG 1 ATOM 1054 N N . LEU A 1 134 ? -3.547 6.651 -12.413 1.00 34.81 ? 368 LEU A N 1 ATOM 1055 C CA . LEU A 1 134 ? -3.850 6.103 -13.746 1.00 35.10 ? 368 LEU A CA 1 ATOM 1056 C C . LEU A 1 134 ? -4.053 4.601 -13.604 1.00 33.30 ? 368 LEU A C 1 ATOM 1057 O O . LEU A 1 134 ? -3.179 3.906 -13.092 1.00 32.85 ? 368 LEU A O 1 ATOM 1058 C CB . LEU A 1 134 ? -2.709 6.367 -14.763 1.00 36.60 ? 368 LEU A CB 1 ATOM 1059 C CG . LEU A 1 134 ? -2.402 7.819 -15.148 1.00 43.71 ? 368 LEU A CG 1 ATOM 1060 C CD1 . LEU A 1 134 ? -1.243 7.875 -16.140 1.00 44.46 ? 368 LEU A CD1 1 ATOM 1061 C CD2 . LEU A 1 134 ? -3.563 8.463 -15.819 1.00 49.37 ? 368 LEU A CD2 1 ATOM 1062 N N . VAL A 1 135 ? -5.208 4.118 -14.043 1.00 30.01 ? 369 VAL A N 1 ATOM 1063 C CA . VAL A 1 135 ? -5.609 2.708 -13.931 1.00 29.36 ? 369 VAL A CA 1 ATOM 1064 C C . VAL A 1 135 ? -5.935 2.225 -15.335 1.00 32.56 ? 369 VAL A C 1 ATOM 1065 O O . VAL A 1 135 ? -6.859 2.729 -15.965 1.00 32.12 ? 369 VAL A O 1 ATOM 1066 C CB . VAL A 1 135 ? -6.802 2.505 -12.945 1.00 32.28 ? 369 VAL A CB 1 ATOM 1067 C CG1 . VAL A 1 135 ? -7.081 1.019 -12.726 1.00 31.25 ? 369 VAL A CG1 1 ATOM 1068 C CG2 . VAL A 1 135 ? -6.550 3.187 -11.603 1.00 31.39 ? 369 VAL A CG2 1 ATOM 1069 N N . LYS A 1 136 ? -5.146 1.292 -15.844 1.00 30.13 ? 370 LYS A N 1 ATOM 1070 C CA . LYS A 1 136 ? -5.373 0.852 -17.222 1.00 31.16 ? 370 LYS A CA 1 ATOM 1071 C C . LYS A 1 136 ? -5.233 -0.657 -17.423 1.00 35.27 ? 370 LYS A C 1 ATOM 1072 O O . LYS A 1 136 ? -4.635 -1.336 -16.586 1.00 35.69 ? 370 LYS A O 1 ATOM 1073 C CB . LYS A 1 136 ? -4.426 1.619 -18.168 1.00 33.79 ? 370 LYS A CB 1 ATOM 1074 C CG . LYS A 1 136 ? -2.940 1.299 -17.942 1.00 45.93 ? 370 LYS A CG 1 ATOM 1075 C CD . LYS A 1 136 ? -2.091 1.864 -19.068 1.00 60.01 ? 370 LYS A CD 1 ATOM 1076 C CE . LYS A 1 136 ? -0.618 1.591 -18.916 1.00 74.10 ? 370 LYS A CE 1 ATOM 1077 N NZ . LYS A 1 136 ? 0.183 2.351 -19.916 1.00 85.09 ? 370 LYS A NZ 1 ATOM 1078 N N . GLY A 1 137 ? -5.742 -1.143 -18.559 1.00 31.53 ? 371 GLY A N 1 ATOM 1079 C CA . GLY A 1 137 ? -5.623 -2.541 -18.975 1.00 31.08 ? 371 GLY A CA 1 ATOM 1080 C C . GLY A 1 137 ? -6.442 -3.557 -18.209 1.00 33.36 ? 371 GLY A C 1 ATOM 1081 O O . GLY A 1 137 ? -6.082 -4.735 -18.185 1.00 34.87 ? 371 GLY A O 1 ATOM 1082 N N . PHE A 1 138 ? -7.556 -3.128 -17.604 1.00 27.59 ? 372 PHE A N 1 ATOM 1083 C CA . PHE A 1 138 ? -8.412 -4.022 -16.838 1.00 26.44 ? 372 PHE A CA 1 ATOM 1084 C C . PHE A 1 138 ? -9.649 -4.474 -17.597 1.00 29.65 ? 372 PHE A C 1 ATOM 1085 O O . PHE A 1 138 ? -10.158 -3.766 -18.464 1.00 28.70 ? 372 PHE A O 1 ATOM 1086 C CB . PHE A 1 138 ? -8.798 -3.433 -15.461 1.00 26.31 ? 372 PHE A CB 1 ATOM 1087 C CG . PHE A 1 138 ? -9.539 -2.121 -15.510 1.00 25.48 ? 372 PHE A CG 1 ATOM 1088 C CD1 . PHE A 1 138 ? -10.926 -2.084 -15.467 1.00 25.55 ? 372 PHE A CD1 1 ATOM 1089 C CD2 . PHE A 1 138 ? -8.847 -0.918 -15.565 1.00 26.34 ? 372 PHE A CD2 1 ATOM 1090 C CE1 . PHE A 1 138 ? -11.606 -0.868 -15.492 1.00 25.91 ? 372 PHE A CE1 1 ATOM 1091 C CE2 . PHE A 1 138 ? -9.525 0.291 -15.613 1.00 27.79 ? 372 PHE A CE2 1 ATOM 1092 C CZ . PHE A 1 138 ? -10.902 0.309 -15.557 1.00 26.06 ? 372 PHE A CZ 1 ATOM 1093 N N . TYR A 1 139 ? -10.106 -5.673 -17.264 1.00 26.24 ? 373 TYR A N 1 ATOM 1094 C CA . TYR A 1 139 ? -11.305 -6.299 -17.801 1.00 25.88 ? 373 TYR A CA 1 ATOM 1095 C C . TYR A 1 139 ? -11.829 -7.272 -16.717 1.00 29.72 ? 373 TYR A C 1 ATOM 1096 O O . TYR A 1 139 ? -11.030 -8.017 -16.164 1.00 29.63 ? 373 TYR A O 1 ATOM 1097 C CB . TYR A 1 139 ? -11.045 -7.059 -19.121 1.00 27.64 ? 373 TYR A CB 1 ATOM 1098 C CG . TYR A 1 139 ? -12.343 -7.480 -19.782 1.00 30.71 ? 373 TYR A CG 1 ATOM 1099 C CD1 . TYR A 1 139 ? -13.003 -6.633 -20.671 1.00 33.06 ? 373 TYR A CD1 1 ATOM 1100 C CD2 . TYR A 1 139 ? -12.972 -8.674 -19.434 1.00 31.27 ? 373 TYR A CD2 1 ATOM 1101 C CE1 . TYR A 1 139 ? -14.229 -6.990 -21.237 1.00 35.08 ? 373 TYR A CE1 1 ATOM 1102 C CE2 . TYR A 1 139 ? -14.222 -9.014 -19.955 1.00 32.16 ? 373 TYR A CE2 1 ATOM 1103 C CZ . TYR A 1 139 ? -14.830 -8.186 -20.882 1.00 40.08 ? 373 TYR A CZ 1 ATOM 1104 O OH . TYR A 1 139 ? -16.041 -8.548 -21.426 1.00 42.07 ? 373 TYR A OH 1 ATOM 1105 N N . PRO A 1 140 ? -13.140 -7.304 -16.404 1.00 28.86 ? 374 PRO A N 1 ATOM 1106 C CA . PRO A 1 140 ? -14.215 -6.448 -16.933 1.00 29.20 ? 374 PRO A CA 1 ATOM 1107 C C . PRO A 1 140 ? -14.130 -5.008 -16.440 1.00 29.82 ? 374 PRO A C 1 ATOM 1108 O O . PRO A 1 140 ? -13.253 -4.670 -15.643 1.00 28.22 ? 374 PRO A O 1 ATOM 1109 C CB . PRO A 1 140 ? -15.496 -7.190 -16.529 1.00 31.49 ? 374 PRO A CB 1 ATOM 1110 C CG . PRO A 1 140 ? -15.127 -7.945 -15.305 1.00 35.80 ? 374 PRO A CG 1 ATOM 1111 C CD . PRO A 1 140 ? -13.650 -8.253 -15.394 1.00 30.98 ? 374 PRO A CD 1 ATOM 1112 N N . SER A 1 141 ? -15.013 -4.149 -16.953 1.00 27.08 ? 375 SER A N 1 ATOM 1113 C CA . SER A 1 141 ? -15.012 -2.724 -16.596 1.00 27.36 ? 375 SER A CA 1 ATOM 1114 C C . SER A 1 141 ? -15.316 -2.455 -15.119 1.00 31.44 ? 375 SER A C 1 ATOM 1115 O O . SER A 1 141 ? -14.963 -1.371 -14.651 1.00 30.64 ? 375 SER A O 1 ATOM 1116 C CB . SER A 1 141 ? -15.973 -1.939 -17.485 1.00 29.31 ? 375 SER A CB 1 ATOM 1117 O OG . SER A 1 141 ? -17.296 -2.391 -17.259 1.00 37.27 ? 375 SER A OG 1 ATOM 1118 N N . ASP A 1 142 ? -15.971 -3.426 -14.391 1.00 28.64 ? 376 ASP A N 1 ATOM 1119 C CA . ASP A 1 142 ? -16.334 -3.285 -12.969 1.00 28.75 ? 376 ASP A CA 1 ATOM 1120 C C . ASP A 1 142 ? -15.129 -3.018 -12.109 1.00 29.05 ? 376 ASP A C 1 ATOM 1121 O O . ASP A 1 142 ? -14.202 -3.831 -12.080 1.00 27.42 ? 376 ASP A O 1 ATOM 1122 C CB . ASP A 1 142 ? -17.140 -4.496 -12.447 1.00 31.75 ? 376 ASP A CB 1 ATOM 1123 C CG . ASP A 1 142 ? -18.626 -4.486 -12.810 1.00 52.75 ? 376 ASP A CG 1 ATOM 1124 O OD1 . ASP A 1 142 ? -19.047 -3.610 -13.608 1.00 55.78 ? 376 ASP A OD1 1 ATOM 1125 O OD2 . ASP A 1 142 ? -19.367 -5.362 -12.304 1.00 60.50 ? 376 ASP A OD2 1 ATOM 1126 N N . ILE A 1 143 ? -15.115 -1.855 -11.443 1.00 25.89 ? 377 ILE A N 1 ATOM 1127 C CA . ILE A 1 143 ? -13.954 -1.415 -10.646 1.00 25.72 ? 377 ILE A CA 1 ATOM 1128 C C . ILE A 1 143 ? -14.356 -0.372 -9.610 1.00 29.81 ? 377 ILE A C 1 ATOM 1129 O O . ILE A 1 143 ? -15.383 0.281 -9.760 1.00 30.47 ? 377 ILE A O 1 ATOM 1130 C CB . ILE A 1 143 ? -12.826 -0.860 -11.600 1.00 27.81 ? 377 ILE A CB 1 ATOM 1131 C CG1 . ILE A 1 143 ? -11.438 -0.807 -10.897 1.00 27.85 ? 377 ILE A CG1 1 ATOM 1132 C CG2 . ILE A 1 143 ? -13.212 0.509 -12.190 1.00 27.68 ? 377 ILE A CG2 1 ATOM 1133 C CD1 . ILE A 1 143 ? -10.217 -0.677 -11.845 1.00 28.55 ? 377 ILE A CD1 1 ATOM 1134 N N . ALA A 1 144 ? -13.542 -0.203 -8.573 1.00 29.03 ? 378 ALA A N 1 ATOM 1135 C CA . ALA A 1 144 ? -13.793 0.833 -7.577 1.00 30.02 ? 378 ALA A CA 1 ATOM 1136 C C . ALA A 1 144 ? -12.459 1.453 -7.201 1.00 32.39 ? 378 ALA A C 1 ATOM 1137 O O . ALA A 1 144 ? -11.480 0.748 -6.936 1.00 31.22 ? 378 ALA A O 1 ATOM 1138 C CB . ALA A 1 144 ? -14.505 0.250 -6.361 1.00 30.99 ? 378 ALA A CB 1 ATOM 1139 N N . VAL A 1 145 ? -12.391 2.780 -7.296 1.00 30.67 ? 379 VAL A N 1 ATOM 1140 C CA . VAL A 1 145 ? -11.175 3.539 -7.025 1.00 30.72 ? 379 VAL A CA 1 ATOM 1141 C C . VAL A 1 145 ? -11.486 4.599 -5.959 1.00 35.24 ? 379 VAL A C 1 ATOM 1142 O O . VAL A 1 145 ? -12.454 5.348 -6.087 1.00 34.70 ? 379 VAL A O 1 ATOM 1143 C CB . VAL A 1 145 ? -10.520 4.135 -8.314 1.00 33.93 ? 379 VAL A CB 1 ATOM 1144 C CG1 . VAL A 1 145 ? -9.235 4.896 -7.979 1.00 33.81 ? 379 VAL A CG1 1 ATOM 1145 C CG2 . VAL A 1 145 ? -10.205 3.036 -9.335 1.00 33.61 ? 379 VAL A CG2 1 ATOM 1146 N N . GLU A 1 146 ? -10.684 4.626 -4.904 1.00 32.86 ? 380 GLU A N 1 ATOM 1147 C CA . GLU A 1 146 ? -10.847 5.577 -3.805 1.00 33.16 ? 380 GLU A CA 1 ATOM 1148 C C . GLU A 1 146 ? -9.503 6.131 -3.430 1.00 34.76 ? 380 GLU A C 1 ATOM 1149 O O . GLU A 1 146 ? -8.473 5.625 -3.887 1.00 35.14 ? 380 GLU A O 1 ATOM 1150 C CB . GLU A 1 146 ? -11.482 4.866 -2.590 1.00 35.15 ? 380 GLU A CB 1 ATOM 1151 C CG . GLU A 1 146 ? -12.976 5.088 -2.522 1.00 50.10 ? 380 GLU A CG 1 ATOM 1152 C CD . GLU A 1 146 ? -13.767 4.041 -1.769 1.00 68.98 ? 380 GLU A CD 1 ATOM 1153 O OE1 . GLU A 1 146 ? -13.528 3.867 -0.552 1.00 55.70 ? 380 GLU A OE1 1 ATOM 1154 O OE2 . GLU A 1 146 ? -14.647 3.410 -2.395 1.00 70.38 ? 380 GLU A OE2 1 ATOM 1155 N N . TRP A 1 147 ? -9.507 7.118 -2.538 1.00 30.03 ? 381 TRP A N 1 ATOM 1156 C CA . TRP A 1 147 ? -8.309 7.753 -2.017 1.00 29.22 ? 381 TRP A CA 1 ATOM 1157 C C . TRP A 1 147 ? -8.326 7.732 -0.497 1.00 32.75 ? 381 TRP A C 1 ATOM 1158 O O . TRP A 1 147 ? -9.387 7.800 0.121 1.00 32.39 ? 381 TRP A O 1 ATOM 1159 C CB . TRP A 1 147 ? -8.190 9.185 -2.550 1.00 28.12 ? 381 TRP A CB 1 ATOM 1160 C CG . TRP A 1 147 ? -7.825 9.261 -4.004 1.00 28.61 ? 381 TRP A CG 1 ATOM 1161 C CD1 . TRP A 1 147 ? -8.678 9.259 -5.064 1.00 31.22 ? 381 TRP A CD1 1 ATOM 1162 C CD2 . TRP A 1 147 ? -6.503 9.403 -4.550 1.00 28.43 ? 381 TRP A CD2 1 ATOM 1163 N NE1 . TRP A 1 147 ? -7.974 9.390 -6.239 1.00 30.59 ? 381 TRP A NE1 1 ATOM 1164 C CE2 . TRP A 1 147 ? -6.638 9.497 -5.952 1.00 32.01 ? 381 TRP A CE2 1 ATOM 1165 C CE3 . TRP A 1 147 ? -5.219 9.455 -3.990 1.00 29.76 ? 381 TRP A CE3 1 ATOM 1166 C CZ2 . TRP A 1 147 ? -5.542 9.687 -6.796 1.00 31.94 ? 381 TRP A CZ2 1 ATOM 1167 C CZ3 . TRP A 1 147 ? -4.123 9.591 -4.835 1.00 31.57 ? 381 TRP A CZ3 1 ATOM 1168 C CH2 . TRP A 1 147 ? -4.288 9.690 -6.221 1.00 32.01 ? 381 TRP A CH2 1 ATOM 1169 N N . GLU A 1 148 ? -7.144 7.720 0.082 1.00 30.19 ? 382 GLU A N 1 ATOM 1170 C CA . GLU A 1 148 ? -6.907 7.608 1.505 1.00 31.02 ? 382 GLU A CA 1 ATOM 1171 C C . GLU A 1 148 ? -5.611 8.322 1.896 1.00 32.36 ? 382 GLU A C 1 ATOM 1172 O O . GLU A 1 148 ? -4.690 8.451 1.088 1.00 31.64 ? 382 GLU A O 1 ATOM 1173 C CB . GLU A 1 148 ? -6.655 6.109 1.716 1.00 33.14 ? 382 GLU A CB 1 ATOM 1174 C CG . GLU A 1 148 ? -6.951 5.509 3.057 1.00 51.27 ? 382 GLU A CG 1 ATOM 1175 C CD . GLU A 1 148 ? -6.733 4.022 2.897 1.00 57.21 ? 382 GLU A CD 1 ATOM 1176 O OE1 . GLU A 1 148 ? -5.661 3.543 3.326 1.00 36.17 ? 382 GLU A OE1 1 ATOM 1177 O OE2 . GLU A 1 148 ? -7.561 3.357 2.225 1.00 45.07 ? 382 GLU A OE2 1 ATOM 1178 N N . SER A 1 149 ? -5.505 8.704 3.173 1.00 29.10 ? 383 SER A N 1 ATOM 1179 C CA . SER A 1 149 ? -4.271 9.225 3.734 1.00 29.61 ? 383 SER A CA 1 ATOM 1180 C C . SER A 1 149 ? -4.332 8.922 5.221 1.00 36.72 ? 383 SER A C 1 ATOM 1181 O O . SER A 1 149 ? -5.362 9.189 5.847 1.00 36.76 ? 383 SER A O 1 ATOM 1182 C CB . SER A 1 149 ? -4.121 10.735 3.536 1.00 30.84 ? 383 SER A CB 1 ATOM 1183 O OG . SER A 1 149 ? -2.851 11.103 4.051 1.00 35.57 ? 383 SER A OG 1 ATOM 1184 N N . ASN A 1 150 ? -3.250 8.357 5.772 1.00 36.03 ? 384 ASN A N 1 ATOM 1185 C CA . ASN A 1 150 ? -3.136 8.020 7.201 1.00 37.89 ? 384 ASN A CA 1 ATOM 1186 C C . ASN A 1 150 ? -4.339 7.191 7.745 1.00 43.20 ? 384 ASN A C 1 ATOM 1187 O O . ASN A 1 150 ? -4.833 7.448 8.843 1.00 43.25 ? 384 ASN A O 1 ATOM 1188 C CB . ASN A 1 150 ? -2.850 9.299 8.031 1.00 41.12 ? 384 ASN A CB 1 ATOM 1189 C CG . ASN A 1 150 ? -1.636 10.094 7.558 1.00 65.93 ? 384 ASN A CG 1 ATOM 1190 O OD1 . ASN A 1 150 ? -1.722 11.285 7.213 1.00 60.54 ? 384 ASN A OD1 1 ATOM 1191 N ND2 . ASN A 1 150 ? -0.470 9.457 7.536 1.00 56.69 ? 384 ASN A ND2 1 ATOM 1192 N N . GLY A 1 151 ? -4.814 6.234 6.938 1.00 40.39 ? 385 GLY A N 1 ATOM 1193 C CA . GLY A 1 151 ? -5.908 5.331 7.298 1.00 39.83 ? 385 GLY A CA 1 ATOM 1194 C C . GLY A 1 151 ? -7.317 5.871 7.144 1.00 42.43 ? 385 GLY A C 1 ATOM 1195 O O . GLY A 1 151 ? -8.288 5.137 7.383 1.00 42.20 ? 385 GLY A O 1 ATOM 1196 N N . GLN A 1 152 ? -7.446 7.154 6.750 1.00 36.48 ? 386 GLN A N 1 ATOM 1197 C CA . GLN A 1 152 ? -8.747 7.794 6.585 1.00 36.13 ? 386 GLN A CA 1 ATOM 1198 C C . GLN A 1 152 ? -9.036 8.114 5.127 1.00 39.17 ? 386 GLN A C 1 ATOM 1199 O O . GLN A 1 152 ? -8.130 8.552 4.413 1.00 37.76 ? 386 GLN A O 1 ATOM 1200 C CB . GLN A 1 152 ? -8.818 9.110 7.390 1.00 38.04 ? 386 GLN A CB 1 ATOM 1201 C CG . GLN A 1 152 ? -9.400 8.935 8.786 1.00 63.19 ? 386 GLN A CG 1 ATOM 1202 C CD . GLN A 1 152 ? -8.310 8.840 9.812 1.00 86.30 ? 386 GLN A CD 1 ATOM 1203 O OE1 . GLN A 1 152 ? -7.387 9.666 9.858 1.00 83.12 ? 386 GLN A OE1 1 ATOM 1204 N NE2 . GLN A 1 152 ? -8.400 7.837 10.668 1.00 80.23 ? 386 GLN A NE2 1 ATOM 1205 N N . PRO A 1 153 ? -10.324 8.025 4.715 1.00 36.36 ? 387 PRO A N 1 ATOM 1206 C CA . PRO A 1 153 ? -10.681 8.398 3.339 1.00 36.08 ? 387 PRO A CA 1 ATOM 1207 C C . PRO A 1 153 ? -10.448 9.875 3.035 1.00 39.67 ? 387 PRO A C 1 ATOM 1208 O O . PRO A 1 153 ? -10.634 10.750 3.896 1.00 38.75 ? 387 PRO A O 1 ATOM 1209 C CB . PRO A 1 153 ? -12.179 8.079 3.259 1.00 37.82 ? 387 PRO A CB 1 ATOM 1210 C CG . PRO A 1 153 ? -12.659 8.099 4.675 1.00 42.68 ? 387 PRO A CG 1 ATOM 1211 C CD . PRO A 1 153 ? -11.511 7.561 5.469 1.00 38.41 ? 387 PRO A CD 1 ATOM 1212 N N . GLU A 1 154 ? -10.035 10.125 1.799 1.00 34.67 ? 388 GLU A N 1 ATOM 1213 C CA . GLU A 1 154 ? -9.843 11.440 1.209 1.00 34.34 ? 388 GLU A CA 1 ATOM 1214 C C . GLU A 1 154 ? -10.969 11.508 0.183 1.00 39.66 ? 388 GLU A C 1 ATOM 1215 O O . GLU A 1 154 ? -10.986 10.714 -0.766 1.00 39.69 ? 388 GLU A O 1 ATOM 1216 C CB . GLU A 1 154 ? -8.449 11.539 0.543 1.00 35.08 ? 388 GLU A CB 1 ATOM 1217 C CG . GLU A 1 154 ? -7.305 11.736 1.531 1.00 38.98 ? 388 GLU A CG 1 ATOM 1218 C CD . GLU A 1 154 ? -7.351 13.029 2.331 1.00 57.77 ? 388 GLU A CD 1 ATOM 1219 O OE1 . GLU A 1 154 ? -7.917 14.032 1.833 1.00 46.93 ? 388 GLU A OE1 1 ATOM 1220 O OE2 . GLU A 1 154 ? -6.823 13.041 3.466 1.00 44.72 ? 388 GLU A OE2 1 ATOM 1221 N N . ASN A 1 155 ? -11.964 12.368 0.423 1.00 36.00 ? 389 ASN A N 1 ATOM 1222 C CA . ASN A 1 155 ? -13.133 12.421 -0.440 1.00 36.66 ? 389 ASN A CA 1 ATOM 1223 C C . ASN A 1 155 ? -13.152 13.411 -1.592 1.00 42.41 ? 389 ASN A C 1 ATOM 1224 O O . ASN A 1 155 ? -14.064 13.337 -2.420 1.00 43.21 ? 389 ASN A O 1 ATOM 1225 C CB . ASN A 1 155 ? -14.420 12.492 0.392 1.00 38.93 ? 389 ASN A CB 1 ATOM 1226 C CG . ASN A 1 155 ? -14.726 11.195 1.101 1.00 64.71 ? 389 ASN A CG 1 ATOM 1227 O OD1 . ASN A 1 155 ? -14.790 10.118 0.497 1.00 60.08 ? 389 ASN A OD1 1 ATOM 1228 N ND2 . ASN A 1 155 ? -14.913 11.267 2.406 1.00 57.69 ? 389 ASN A ND2 1 ATOM 1229 N N . ASN A 1 156 ? -12.163 14.305 -1.687 1.00 38.89 ? 390 ASN A N 1 ATOM 1230 C CA . ASN A 1 156 ? -12.167 15.316 -2.742 1.00 38.81 ? 390 ASN A CA 1 ATOM 1231 C C . ASN A 1 156 ? -11.605 14.821 -4.090 1.00 41.45 ? 390 ASN A C 1 ATOM 1232 O O . ASN A 1 156 ? -10.714 15.440 -4.667 1.00 39.98 ? 390 ASN A O 1 ATOM 1233 C CB . ASN A 1 156 ? -11.518 16.632 -2.262 1.00 39.86 ? 390 ASN A CB 1 ATOM 1234 C CG . ASN A 1 156 ? -11.900 17.855 -3.079 1.00 58.43 ? 390 ASN A CG 1 ATOM 1235 O OD1 . ASN A 1 156 ? -12.927 17.897 -3.770 1.00 52.01 ? 390 ASN A OD1 1 ATOM 1236 N ND2 . ASN A 1 156 ? -11.075 18.885 -3.022 1.00 51.55 ? 390 ASN A ND2 1 ATOM 1237 N N . TYR A 1 157 ? -12.157 13.714 -4.598 1.00 38.59 ? 391 TYR A N 1 ATOM 1238 C CA . TYR A 1 157 ? -11.694 13.165 -5.862 1.00 38.43 ? 391 TYR A CA 1 ATOM 1239 C C . TYR A 1 157 ? -12.798 13.011 -6.889 1.00 43.09 ? 391 TYR A C 1 ATOM 1240 O O . TYR A 1 157 ? -13.976 12.922 -6.539 1.00 42.87 ? 391 TYR A O 1 ATOM 1241 C CB . TYR A 1 157 ? -10.947 11.829 -5.646 1.00 38.71 ? 391 TYR A CB 1 ATOM 1242 C CG . TYR A 1 157 ? -11.852 10.702 -5.200 1.00 39.19 ? 391 TYR A CG 1 ATOM 1243 C CD1 . TYR A 1 157 ? -12.508 9.897 -6.130 1.00 40.44 ? 391 TYR A CD1 1 ATOM 1244 C CD2 . TYR A 1 157 ? -12.098 10.473 -3.849 1.00 39.34 ? 391 TYR A CD2 1 ATOM 1245 C CE1 . TYR A 1 157 ? -13.390 8.897 -5.725 1.00 40.93 ? 391 TYR A CE1 1 ATOM 1246 C CE2 . TYR A 1 157 ? -12.958 9.458 -3.434 1.00 40.11 ? 391 TYR A CE2 1 ATOM 1247 C CZ . TYR A 1 157 ? -13.612 8.683 -4.377 1.00 43.66 ? 391 TYR A CZ 1 ATOM 1248 O OH . TYR A 1 157 ? -14.469 7.698 -3.975 1.00 42.88 ? 391 TYR A OH 1 ATOM 1249 N N . LYS A 1 158 ? -12.388 12.936 -8.159 1.00 40.32 ? 392 LYS A N 1 ATOM 1250 C CA . LYS A 1 158 ? -13.252 12.702 -9.309 1.00 40.62 ? 392 LYS A CA 1 ATOM 1251 C C . LYS A 1 158 ? -12.625 11.541 -10.081 1.00 43.34 ? 392 LYS A C 1 ATOM 1252 O O . LYS A 1 158 ? -11.433 11.592 -10.397 1.00 41.39 ? 392 LYS A O 1 ATOM 1253 C CB . LYS A 1 158 ? -13.351 13.948 -10.211 1.00 44.05 ? 392 LYS A CB 1 ATOM 1254 C CG . LYS A 1 158 ? -14.119 15.114 -9.595 1.00 60.60 ? 392 LYS A CG 1 ATOM 1255 C CD . LYS A 1 158 ? -14.151 16.323 -10.539 1.00 74.48 ? 392 LYS A CD 1 ATOM 1256 C CE . LYS A 1 158 ? -14.893 17.501 -9.944 1.00 85.85 ? 392 LYS A CE 1 ATOM 1257 N NZ . LYS A 1 158 ? -14.898 18.678 -10.858 1.00 93.71 ? 392 LYS A NZ 1 ATOM 1258 N N . THR A 1 159 ? -13.407 10.475 -10.317 1.00 40.46 ? 393 THR A N 1 ATOM 1259 C CA . THR A 1 159 ? -12.930 9.327 -11.083 1.00 40.43 ? 393 THR A CA 1 ATOM 1260 C C . THR A 1 159 ? -13.658 9.294 -12.416 1.00 45.86 ? 393 THR A C 1 ATOM 1261 O O . THR A 1 159 ? -14.892 9.300 -12.442 1.00 46.92 ? 393 THR A O 1 ATOM 1262 C CB . THR A 1 159 ? -13.110 8.022 -10.313 1.00 43.07 ? 393 THR A CB 1 ATOM 1263 O OG1 . THR A 1 159 ? -12.429 8.118 -9.073 1.00 39.63 ? 393 THR A OG1 1 ATOM 1264 C CG2 . THR A 1 159 ? -12.561 6.821 -11.064 1.00 43.52 ? 393 THR A CG2 1 ATOM 1265 N N . THR A 1 160 ? -12.898 9.224 -13.516 1.00 41.55 ? 394 THR A N 1 ATOM 1266 C CA . THR A 1 160 ? -13.491 9.137 -14.848 1.00 41.17 ? 394 THR A CA 1 ATOM 1267 C C . THR A 1 160 ? -14.171 7.764 -15.032 1.00 44.15 ? 394 THR A C 1 ATOM 1268 O O . THR A 1 160 ? -13.717 6.780 -14.430 1.00 42.66 ? 394 THR A O 1 ATOM 1269 C CB . THR A 1 160 ? -12.454 9.422 -15.948 1.00 48.03 ? 394 THR A CB 1 ATOM 1270 O OG1 . THR A 1 160 ? -11.458 8.398 -15.971 1.00 45.07 ? 394 THR A OG1 1 ATOM 1271 C CG2 . THR A 1 160 ? -11.834 10.821 -15.840 1.00 47.69 ? 394 THR A CG2 1 ATOM 1272 N N . PRO A 1 161 ? -15.249 7.665 -15.846 1.00 40.91 ? 395 PRO A N 1 ATOM 1273 C CA . PRO A 1 161 ? -15.857 6.345 -16.078 1.00 40.22 ? 395 PRO A CA 1 ATOM 1274 C C . PRO A 1 161 ? -14.894 5.436 -16.864 1.00 40.70 ? 395 PRO A C 1 ATOM 1275 O O . PRO A 1 161 ? -14.065 5.951 -17.609 1.00 39.39 ? 395 PRO A O 1 ATOM 1276 C CB . PRO A 1 161 ? -17.116 6.665 -16.909 1.00 42.63 ? 395 PRO A CB 1 ATOM 1277 C CG . PRO A 1 161 ? -17.273 8.140 -16.877 1.00 47.41 ? 395 PRO A CG 1 ATOM 1278 C CD . PRO A 1 161 ? -15.915 8.709 -16.652 1.00 42.96 ? 395 PRO A CD 1 ATOM 1279 N N . PRO A 1 162 ? -14.942 4.095 -16.696 1.00 36.29 ? 396 PRO A N 1 ATOM 1280 C CA . PRO A 1 162 ? -14.048 3.224 -17.490 1.00 35.13 ? 396 PRO A CA 1 ATOM 1281 C C . PRO A 1 162 ? -14.244 3.468 -18.987 1.00 36.63 ? 396 PRO A C 1 ATOM 1282 O O . PRO A 1 162 ? -15.381 3.562 -19.459 1.00 36.15 ? 396 PRO A O 1 ATOM 1283 C CB . PRO A 1 162 ? -14.494 1.810 -17.106 1.00 36.57 ? 396 PRO A CB 1 ATOM 1284 C CG . PRO A 1 162 ? -15.129 1.978 -15.751 1.00 41.65 ? 396 PRO A CG 1 ATOM 1285 C CD . PRO A 1 162 ? -15.839 3.296 -15.836 1.00 37.66 ? 396 PRO A CD 1 ATOM 1286 N N . VAL A 1 163 ? -13.147 3.637 -19.701 1.00 32.13 ? 397 VAL A N 1 ATOM 1287 C CA . VAL A 1 163 ? -13.163 3.889 -21.144 1.00 32.41 ? 397 VAL A CA 1 ATOM 1288 C C . VAL A 1 163 ? -12.563 2.690 -21.850 1.00 34.08 ? 397 VAL A C 1 ATOM 1289 O O . VAL A 1 163 ? -11.504 2.203 -21.470 1.00 31.94 ? 397 VAL A O 1 ATOM 1290 C CB . VAL A 1 163 ? -12.485 5.240 -21.543 1.00 36.74 ? 397 VAL A CB 1 ATOM 1291 C CG1 . VAL A 1 163 ? -12.317 5.362 -23.068 1.00 36.76 ? 397 VAL A CG1 1 ATOM 1292 C CG2 . VAL A 1 163 ? -13.286 6.422 -21.011 1.00 36.81 ? 397 VAL A CG2 1 ATOM 1293 N N . LEU A 1 164 ? -13.278 2.195 -22.849 1.00 32.93 ? 398 LEU A N 1 ATOM 1294 C CA . LEU A 1 164 ? -12.851 1.082 -23.663 1.00 33.49 ? 398 LEU A CA 1 ATOM 1295 C C . LEU A 1 164 ? -11.667 1.559 -24.501 1.00 37.13 ? 398 LEU A C 1 ATOM 1296 O O . LEU A 1 164 ? -11.726 2.602 -25.176 1.00 36.20 ? 398 LEU A O 1 ATOM 1297 C CB . LEU A 1 164 ? -14.013 0.616 -24.545 1.00 34.69 ? 398 LEU A CB 1 ATOM 1298 C CG . LEU A 1 164 ? -13.829 -0.637 -25.362 1.00 40.58 ? 398 LEU A CG 1 ATOM 1299 C CD1 . LEU A 1 164 ? -13.661 -1.863 -24.484 1.00 40.45 ? 398 LEU A CD1 1 ATOM 1300 C CD2 . LEU A 1 164 ? -15.013 -0.836 -26.294 1.00 46.45 ? 398 LEU A CD2 1 ATOM 1301 N N . ASP A 1 165 ? -10.555 0.829 -24.375 1.00 32.61 ? 399 ASP A N 1 ATOM 1302 C CA . ASP A 1 165 ? -9.308 1.114 -25.081 1.00 33.56 ? 399 ASP A CA 1 ATOM 1303 C C . ASP A 1 165 ? -9.222 0.372 -26.441 1.00 38.24 ? 399 ASP A C 1 ATOM 1304 O O . ASP A 1 165 ? -10.134 -0.414 -26.758 1.00 37.50 ? 399 ASP A O 1 ATOM 1305 C CB . ASP A 1 165 ? -8.161 0.691 -24.163 1.00 35.92 ? 399 ASP A CB 1 ATOM 1306 C CG . ASP A 1 165 ? -6.888 1.510 -24.290 1.00 54.20 ? 399 ASP A CG 1 ATOM 1307 O OD1 . ASP A 1 165 ? -6.724 2.210 -25.321 1.00 57.25 ? 399 ASP A OD1 1 ATOM 1308 O OD2 . ASP A 1 165 ? -6.025 1.414 -23.387 1.00 59.42 ? 399 ASP A OD2 1 ATOM 1309 N N . SER A 1 166 ? -8.124 0.599 -27.210 1.00 36.34 ? 400 SER A N 1 ATOM 1310 C CA . SER A 1 166 ? -7.948 -0.031 -28.517 1.00 36.82 ? 400 SER A CA 1 ATOM 1311 C C . SER A 1 166 ? -7.813 -1.553 -28.464 1.00 41.77 ? 400 SER A C 1 ATOM 1312 O O . SER A 1 166 ? -8.148 -2.237 -29.435 1.00 42.04 ? 400 SER A O 1 ATOM 1313 C CB . SER A 1 166 ? -6.759 0.577 -29.258 1.00 40.79 ? 400 SER A CB 1 ATOM 1314 O OG . SER A 1 166 ? -5.581 0.531 -28.479 1.00 51.57 ? 400 SER A OG 1 ATOM 1315 N N . ASP A 1 167 ? -7.339 -2.087 -27.332 1.00 37.84 ? 401 ASP A N 1 ATOM 1316 C CA . ASP A 1 167 ? -7.163 -3.522 -27.197 1.00 37.44 ? 401 ASP A CA 1 ATOM 1317 C C . ASP A 1 167 ? -8.326 -4.248 -26.488 1.00 40.94 ? 401 ASP A C 1 ATOM 1318 O O . ASP A 1 167 ? -8.163 -5.395 -26.080 1.00 42.46 ? 401 ASP A O 1 ATOM 1319 C CB . ASP A 1 167 ? -5.798 -3.823 -26.555 1.00 39.84 ? 401 ASP A CB 1 ATOM 1320 C CG . ASP A 1 167 ? -5.665 -3.411 -25.095 1.00 56.24 ? 401 ASP A CG 1 ATOM 1321 O OD1 . ASP A 1 167 ? -6.618 -2.792 -24.552 1.00 58.42 ? 401 ASP A OD1 1 ATOM 1322 O OD2 . ASP A 1 167 ? -4.616 -3.712 -24.490 1.00 62.53 ? 401 ASP A OD2 1 ATOM 1323 N N . GLY A 1 168 ? -9.475 -3.585 -26.352 1.00 36.58 ? 402 GLY A N 1 ATOM 1324 C CA . GLY A 1 168 ? -10.647 -4.162 -25.703 1.00 35.93 ? 402 GLY A CA 1 ATOM 1325 C C . GLY A 1 168 ? -10.626 -4.167 -24.176 1.00 38.67 ? 402 GLY A C 1 ATOM 1326 O O . GLY A 1 168 ? -11.546 -4.709 -23.552 1.00 37.51 ? 402 GLY A O 1 ATOM 1327 N N . SER A 1 169 ? -9.576 -3.589 -23.553 1.00 34.08 ? 403 SER A N 1 ATOM 1328 C CA . SER A 1 169 ? -9.549 -3.498 -22.085 1.00 32.23 ? 403 SER A CA 1 ATOM 1329 C C . SER A 1 169 ? -10.031 -2.099 -21.680 1.00 35.68 ? 403 SER A C 1 ATOM 1330 O O . SER A 1 169 ? -10.436 -1.320 -22.555 1.00 35.55 ? 403 SER A O 1 ATOM 1331 C CB . SER A 1 169 ? -8.175 -3.846 -21.528 1.00 33.52 ? 403 SER A CB 1 ATOM 1332 O OG . SER A 1 169 ? -7.151 -2.988 -21.991 1.00 39.28 ? 403 SER A OG 1 ATOM 1333 N N . PHE A 1 170 ? -10.057 -1.790 -20.371 1.00 30.41 ? 404 PHE A N 1 ATOM 1334 C CA . PHE A 1 170 ? -10.551 -0.496 -19.919 1.00 29.01 ? 404 PHE A CA 1 ATOM 1335 C C . PHE A 1 170 ? -9.479 0.316 -19.239 1.00 31.57 ? 404 PHE A C 1 ATOM 1336 O O . PHE A 1 170 ? -8.494 -0.233 -18.756 1.00 31.35 ? 404 PHE A O 1 ATOM 1337 C CB . PHE A 1 170 ? -11.778 -0.670 -18.999 1.00 30.91 ? 404 PHE A CB 1 ATOM 1338 C CG . PHE A 1 170 ? -12.994 -1.176 -19.737 1.00 32.39 ? 404 PHE A CG 1 ATOM 1339 C CD1 . PHE A 1 170 ? -13.183 -2.545 -19.946 1.00 35.62 ? 404 PHE A CD1 1 ATOM 1340 C CD2 . PHE A 1 170 ? -13.924 -0.284 -20.271 1.00 35.14 ? 404 PHE A CD2 1 ATOM 1341 C CE1 . PHE A 1 170 ? -14.289 -3.016 -20.671 1.00 36.50 ? 404 PHE A CE1 1 ATOM 1342 C CE2 . PHE A 1 170 ? -15.052 -0.756 -20.967 1.00 37.96 ? 404 PHE A CE2 1 ATOM 1343 C CZ . PHE A 1 170 ? -15.226 -2.120 -21.160 1.00 35.51 ? 404 PHE A CZ 1 ATOM 1344 N N . PHE A 1 171 ? -9.665 1.629 -19.207 1.00 29.64 ? 405 PHE A N 1 ATOM 1345 C CA . PHE A 1 171 ? -8.757 2.511 -18.492 1.00 30.30 ? 405 PHE A CA 1 ATOM 1346 C C . PHE A 1 171 ? -9.533 3.644 -17.893 1.00 33.14 ? 405 PHE A C 1 ATOM 1347 O O . PHE A 1 171 ? -10.599 3.996 -18.387 1.00 32.19 ? 405 PHE A O 1 ATOM 1348 C CB . PHE A 1 171 ? -7.590 3.023 -19.369 1.00 32.55 ? 405 PHE A CB 1 ATOM 1349 C CG . PHE A 1 171 ? -7.966 4.048 -20.416 1.00 34.91 ? 405 PHE A CG 1 ATOM 1350 C CD1 . PHE A 1 171 ? -7.860 5.411 -20.148 1.00 38.88 ? 405 PHE A CD1 1 ATOM 1351 C CD2 . PHE A 1 171 ? -8.451 3.652 -21.658 1.00 36.96 ? 405 PHE A CD2 1 ATOM 1352 C CE1 . PHE A 1 171 ? -8.217 6.362 -21.117 1.00 39.99 ? 405 PHE A CE1 1 ATOM 1353 C CE2 . PHE A 1 171 ? -8.809 4.606 -22.625 1.00 40.13 ? 405 PHE A CE2 1 ATOM 1354 C CZ . PHE A 1 171 ? -8.691 5.950 -22.344 1.00 38.30 ? 405 PHE A CZ 1 ATOM 1355 N N . LEU A 1 172 ? -8.997 4.225 -16.825 1.00 31.73 ? 406 LEU A N 1 ATOM 1356 C CA . LEU A 1 172 ? -9.589 5.407 -16.220 1.00 30.87 ? 406 LEU A CA 1 ATOM 1357 C C . LEU A 1 172 ? -8.552 6.217 -15.471 1.00 32.04 ? 406 LEU A C 1 ATOM 1358 O O . LEU A 1 172 ? -7.429 5.751 -15.278 1.00 30.59 ? 406 LEU A O 1 ATOM 1359 C CB . LEU A 1 172 ? -10.858 5.104 -15.379 1.00 31.44 ? 406 LEU A CB 1 ATOM 1360 C CG . LEU A 1 172 ? -10.767 4.157 -14.172 1.00 36.71 ? 406 LEU A CG 1 ATOM 1361 C CD1 . LEU A 1 172 ? -10.094 4.831 -12.964 1.00 37.79 ? 406 LEU A CD1 1 ATOM 1362 C CD2 . LEU A 1 172 ? -12.159 3.678 -13.788 1.00 39.72 ? 406 LEU A CD2 1 ATOM 1363 N N . ASN A 1 173 ? -8.919 7.439 -15.081 1.00 30.55 ? 407 ASN A N 1 ATOM 1364 C CA . ASN A 1 173 ? -8.095 8.328 -14.265 1.00 31.49 ? 407 ASN A CA 1 ATOM 1365 C C . ASN A 1 173 ? -8.882 8.630 -13.021 1.00 34.47 ? 407 ASN A C 1 ATOM 1366 O O . ASN A 1 173 ? -10.093 8.826 -13.097 1.00 35.70 ? 407 ASN A O 1 ATOM 1367 C CB . ASN A 1 173 ? -7.875 9.702 -14.963 1.00 41.43 ? 407 ASN A CB 1 ATOM 1368 C CG . ASN A 1 173 ? -6.990 9.762 -16.173 1.00 80.53 ? 407 ASN A CG 1 ATOM 1369 O OD1 . ASN A 1 173 ? -6.159 8.892 -16.415 1.00 76.37 ? 407 ASN A OD1 1 ATOM 1370 N ND2 . ASN A 1 173 ? -7.132 10.837 -16.947 1.00 78.96 ? 407 ASN A ND2 1 ATOM 1371 N N . SER A 1 174 ? -8.207 8.720 -11.887 1.00 31.60 ? 408 SER A N 1 ATOM 1372 C CA . SER A 1 174 ? -8.833 9.192 -10.659 1.00 31.87 ? 408 SER A CA 1 ATOM 1373 C C . SER A 1 174 ? -7.964 10.355 -10.194 1.00 34.78 ? 408 SER A C 1 ATOM 1374 O O . SER A 1 174 ? -6.741 10.201 -10.078 1.00 35.08 ? 408 SER A O 1 ATOM 1375 C CB . SER A 1 174 ? -8.890 8.109 -9.593 1.00 35.37 ? 408 SER A CB 1 ATOM 1376 O OG . SER A 1 174 ? -9.577 8.608 -8.454 1.00 42.33 ? 408 SER A OG 1 ATOM 1377 N N . THR A 1 175 ? -8.575 11.522 -9.985 1.00 32.55 ? 409 THR A N 1 ATOM 1378 C CA . THR A 1 175 ? -7.837 12.715 -9.575 1.00 33.46 ? 409 THR A CA 1 ATOM 1379 C C . THR A 1 175 ? -8.313 13.254 -8.219 1.00 35.46 ? 409 THR A C 1 ATOM 1380 O O . THR A 1 175 ? -9.476 13.643 -8.082 1.00 36.43 ? 409 THR A O 1 ATOM 1381 C CB . THR A 1 175 ? -7.851 13.772 -10.715 1.00 48.23 ? 409 THR A CB 1 ATOM 1382 O OG1 . THR A 1 175 ? -7.228 13.225 -11.878 1.00 53.20 ? 409 THR A OG1 1 ATOM 1383 C CG2 . THR A 1 175 ? -7.112 15.021 -10.346 1.00 48.25 ? 409 THR A CG2 1 ATOM 1384 N N . LEU A 1 176 ? -7.415 13.266 -7.233 1.00 30.94 ? 410 LEU A N 1 ATOM 1385 C CA . LEU A 1 176 ? -7.698 13.796 -5.890 1.00 30.25 ? 410 LEU A CA 1 ATOM 1386 C C . LEU A 1 176 ? -7.209 15.256 -5.807 1.00 36.77 ? 410 LEU A C 1 ATOM 1387 O O . LEU A 1 176 ? -6.049 15.512 -6.095 1.00 36.42 ? 410 LEU A O 1 ATOM 1388 C CB . LEU A 1 176 ? -6.992 12.950 -4.802 1.00 29.49 ? 410 LEU A CB 1 ATOM 1389 C CG . LEU A 1 176 ? -7.176 13.430 -3.342 1.00 31.77 ? 410 LEU A CG 1 ATOM 1390 C CD1 . LEU A 1 176 ? -8.596 13.198 -2.849 1.00 30.99 ? 410 LEU A CD1 1 ATOM 1391 C CD2 . LEU A 1 176 ? -6.206 12.746 -2.423 1.00 33.53 ? 410 LEU A CD2 1 ATOM 1392 N N . THR A 1 177 ? -8.075 16.193 -5.399 1.00 37.12 ? 411 THR A N 1 ATOM 1393 C CA . THR A 1 177 ? -7.638 17.589 -5.230 1.00 38.62 ? 411 THR A CA 1 ATOM 1394 C C . THR A 1 177 ? -7.365 17.835 -3.741 1.00 43.25 ? 411 THR A C 1 ATOM 1395 O O . THR A 1 177 ? -8.272 17.680 -2.920 1.00 42.18 ? 411 THR A O 1 ATOM 1396 C CB . THR A 1 177 ? -8.639 18.597 -5.828 1.00 48.64 ? 411 THR A CB 1 ATOM 1397 O OG1 . THR A 1 177 ? -8.885 18.262 -7.191 1.00 49.81 ? 411 THR A OG1 1 ATOM 1398 C CG2 . THR A 1 177 ? -8.125 20.040 -5.764 1.00 49.22 ? 411 THR A CG2 1 ATOM 1399 N N . VAL A 1 178 ? -6.112 18.175 -3.401 1.00 41.56 ? 412 VAL A N 1 ATOM 1400 C CA . VAL A 1 178 ? -5.706 18.480 -2.019 1.00 42.49 ? 412 VAL A CA 1 ATOM 1401 C C . VAL A 1 178 ? -5.092 19.871 -1.921 1.00 48.69 ? 412 VAL A C 1 ATOM 1402 O O . VAL A 1 178 ? -4.548 20.360 -2.910 1.00 47.39 ? 412 VAL A O 1 ATOM 1403 C CB . VAL A 1 178 ? -4.787 17.416 -1.365 1.00 46.06 ? 412 VAL A CB 1 ATOM 1404 C CG1 . VAL A 1 178 ? -5.516 16.087 -1.199 1.00 45.86 ? 412 VAL A CG1 1 ATOM 1405 C CG2 . VAL A 1 178 ? -3.464 17.247 -2.118 1.00 45.73 ? 412 VAL A CG2 1 ATOM 1406 N N . ASP A 1 179 ? -5.127 20.477 -0.716 1.00 46.48 ? 413 ASP A N 1 ATOM 1407 C CA . ASP A 1 179 ? -4.505 21.783 -0.483 1.00 46.19 ? 413 ASP A CA 1 ATOM 1408 C C . ASP A 1 179 ? -3.013 21.596 -0.702 1.00 50.03 ? 413 ASP A C 1 ATOM 1409 O O . ASP A 1 179 ? -2.454 20.607 -0.212 1.00 49.31 ? 413 ASP A O 1 ATOM 1410 C CB . ASP A 1 179 ? -4.780 22.271 0.954 1.00 48.02 ? 413 ASP A CB 1 ATOM 1411 C CG . ASP A 1 179 ? -6.245 22.502 1.285 1.00 61.62 ? 413 ASP A CG 1 ATOM 1412 O OD1 . ASP A 1 179 ? -7.028 22.803 0.352 1.00 62.26 ? 413 ASP A OD1 1 ATOM 1413 O OD2 . ASP A 1 179 ? -6.607 22.394 2.476 1.00 69.66 ? 413 ASP A OD2 1 ATOM 1414 N N . LYS A 1 180 ? -2.375 22.509 -1.477 1.00 46.36 ? 414 LYS A N 1 ATOM 1415 C CA . LYS A 1 180 ? -0.936 22.459 -1.786 1.00 46.03 ? 414 LYS A CA 1 ATOM 1416 C C . LYS A 1 180 ? -0.108 22.256 -0.527 1.00 46.66 ? 414 LYS A C 1 ATOM 1417 O O . LYS A 1 180 ? 0.857 21.502 -0.552 1.00 46.12 ? 414 LYS A O 1 ATOM 1418 C CB . LYS A 1 180 ? -0.482 23.745 -2.516 1.00 49.35 ? 414 LYS A CB 1 ATOM 1419 C CG . LYS A 1 180 ? 0.987 23.751 -2.972 1.00 62.20 ? 414 LYS A CG 1 ATOM 1420 C CD . LYS A 1 180 ? 1.497 25.181 -3.181 1.00 73.89 ? 414 LYS A CD 1 ATOM 1421 C CE . LYS A 1 180 ? 2.928 25.257 -3.641 1.00 85.52 ? 414 LYS A CE 1 ATOM 1422 N NZ . LYS A 1 180 ? 3.283 26.606 -4.162 1.00 92.08 ? 414 LYS A NZ 1 ATOM 1423 N N . SER A 1 181 ? -0.503 22.917 0.577 1.00 43.94 ? 415 SER A N 1 ATOM 1424 C CA . SER A 1 181 ? 0.165 22.829 1.881 1.00 43.33 ? 415 SER A CA 1 ATOM 1425 C C . SER A 1 181 ? 0.271 21.384 2.395 1.00 46.00 ? 415 SER A C 1 ATOM 1426 O O . SER A 1 181 ? 1.326 21.005 2.902 1.00 45.52 ? 415 SER A O 1 ATOM 1427 C CB . SER A 1 181 ? -0.534 23.720 2.904 1.00 46.71 ? 415 SER A CB 1 ATOM 1428 O OG . SER A 1 181 ? -1.917 23.423 3.013 1.00 54.10 ? 415 SER A OG 1 ATOM 1429 N N . ARG A 1 182 ? -0.803 20.573 2.224 1.00 42.50 ? 416 ARG A N 1 ATOM 1430 C CA . ARG A 1 182 ? -0.837 19.157 2.642 1.00 41.47 ? 416 ARG A CA 1 ATOM 1431 C C . ARG A 1 182 ? 0.142 18.315 1.811 1.00 44.74 ? 416 ARG A C 1 ATOM 1432 O O . ARG A 1 182 ? 0.911 17.533 2.371 1.00 42.93 ? 416 ARG A O 1 ATOM 1433 C CB . ARG A 1 182 ? -2.262 18.585 2.545 1.00 38.73 ? 416 ARG A CB 1 ATOM 1434 C CG . ARG A 1 182 ? -3.298 19.325 3.376 1.00 44.43 ? 416 ARG A CG 1 ATOM 1435 C CD . ARG A 1 182 ? -4.209 18.355 4.104 1.00 52.32 ? 416 ARG A CD 1 ATOM 1436 N NE . ARG A 1 182 ? -5.200 17.780 3.212 1.00 56.36 ? 416 ARG A NE 1 ATOM 1437 C CZ . ARG A 1 182 ? -5.564 16.503 3.182 1.00 59.23 ? 416 ARG A CZ 1 ATOM 1438 N NH1 . ARG A 1 182 ? -6.468 16.093 2.314 1.00 41.96 ? 416 ARG A NH1 1 ATOM 1439 N NH2 . ARG A 1 182 ? -5.031 15.629 4.029 1.00 42.03 ? 416 ARG A NH2 1 ATOM 1440 N N . TRP A 1 183 ? 0.144 18.510 0.476 1.00 43.39 ? 417 TRP A N 1 ATOM 1441 C CA . TRP A 1 183 ? 1.041 17.785 -0.427 1.00 44.23 ? 417 TRP A CA 1 ATOM 1442 C C . TRP A 1 183 ? 2.502 18.178 -0.197 1.00 46.97 ? 417 TRP A C 1 ATOM 1443 O O . TRP A 1 183 ? 3.378 17.326 -0.068 1.00 44.69 ? 417 TRP A O 1 ATOM 1444 C CB . TRP A 1 183 ? 0.614 17.983 -1.900 1.00 44.09 ? 417 TRP A CB 1 ATOM 1445 C CG . TRP A 1 183 ? 1.647 17.528 -2.887 1.00 45.99 ? 417 TRP A CG 1 ATOM 1446 C CD1 . TRP A 1 183 ? 2.500 18.319 -3.599 1.00 49.16 ? 417 TRP A CD1 1 ATOM 1447 C CD2 . TRP A 1 183 ? 2.034 16.172 -3.164 1.00 46.25 ? 417 TRP A CD2 1 ATOM 1448 N NE1 . TRP A 1 183 ? 3.373 17.544 -4.327 1.00 48.60 ? 417 TRP A NE1 1 ATOM 1449 C CE2 . TRP A 1 183 ? 3.114 16.221 -4.074 1.00 50.31 ? 417 TRP A CE2 1 ATOM 1450 C CE3 . TRP A 1 183 ? 1.566 14.915 -2.735 1.00 47.55 ? 417 TRP A CE3 1 ATOM 1451 C CZ2 . TRP A 1 183 ? 3.707 15.065 -4.597 1.00 49.76 ? 417 TRP A CZ2 1 ATOM 1452 C CZ3 . TRP A 1 183 ? 2.157 13.773 -3.253 1.00 49.16 ? 417 TRP A CZ3 1 ATOM 1453 C CH2 . TRP A 1 183 ? 3.210 13.853 -4.177 1.00 49.89 ? 417 TRP A CH2 1 ATOM 1454 N N . GLN A 1 184 ? 2.747 19.490 -0.126 1.00 46.35 ? 418 GLN A N 1 ATOM 1455 C CA . GLN A 1 184 ? 4.063 20.088 0.087 1.00 46.65 ? 418 GLN A CA 1 ATOM 1456 C C . GLN A 1 184 ? 4.746 19.596 1.378 1.00 48.53 ? 418 GLN A C 1 ATOM 1457 O O . GLN A 1 184 ? 5.966 19.412 1.413 1.00 46.79 ? 418 GLN A O 1 ATOM 1458 C CB . GLN A 1 184 ? 3.887 21.605 0.118 1.00 48.92 ? 418 GLN A CB 1 ATOM 1459 C CG . GLN A 1 184 ? 5.175 22.389 0.099 1.00 74.47 ? 418 GLN A CG 1 ATOM 1460 C CD . GLN A 1 184 ? 5.975 22.197 -1.152 1.00 90.32 ? 418 GLN A CD 1 ATOM 1461 O OE1 . GLN A 1 184 ? 5.572 22.611 -2.242 1.00 86.00 ? 418 GLN A OE1 1 ATOM 1462 N NE2 . GLN A 1 184 ? 7.144 21.598 -1.003 1.00 79.72 ? 418 GLN A NE2 1 ATOM 1463 N N . GLN A 1 185 ? 3.934 19.348 2.418 1.00 45.23 ? 419 GLN A N 1 ATOM 1464 C CA . GLN A 1 185 ? 4.357 18.863 3.733 1.00 44.59 ? 419 GLN A CA 1 ATOM 1465 C C . GLN A 1 185 ? 4.956 17.449 3.716 1.00 46.58 ? 419 GLN A C 1 ATOM 1466 O O . GLN A 1 185 ? 5.628 17.064 4.678 1.00 45.80 ? 419 GLN A O 1 ATOM 1467 C CB . GLN A 1 185 ? 3.154 18.911 4.679 1.00 46.35 ? 419 GLN A CB 1 ATOM 1468 C CG . GLN A 1 185 ? 3.507 18.938 6.149 1.00 55.32 ? 419 GLN A CG 1 ATOM 1469 C CD . GLN A 1 185 ? 2.267 19.103 6.964 1.00 67.98 ? 419 GLN A CD 1 ATOM 1470 O OE1 . GLN A 1 185 ? 1.728 18.143 7.510 1.00 68.36 ? 419 GLN A OE1 1 ATOM 1471 N NE2 . GLN A 1 185 ? 1.768 20.320 7.037 1.00 56.33 ? 419 GLN A NE2 1 ATOM 1472 N N . GLY A 1 186 ? 4.712 16.689 2.647 1.00 42.09 ? 420 GLY A N 1 ATOM 1473 C CA . GLY A 1 186 ? 5.215 15.323 2.544 1.00 41.17 ? 420 GLY A CA 1 ATOM 1474 C C . GLY A 1 186 ? 4.247 14.261 3.038 1.00 41.98 ? 420 GLY A C 1 ATOM 1475 O O . GLY A 1 186 ? 4.657 13.125 3.291 1.00 41.49 ? 420 GLY A O 1 ATOM 1476 N N . ASN A 1 187 ? 2.962 14.611 3.183 1.00 39.30 ? 421 ASN A N 1 ATOM 1477 C CA . ASN A 1 187 ? 1.941 13.632 3.608 1.00 39.57 ? 421 ASN A CA 1 ATOM 1478 C C . ASN A 1 187 ? 1.721 12.596 2.493 1.00 41.57 ? 421 ASN A C 1 ATOM 1479 O O . ASN A 1 187 ? 1.759 12.958 1.318 1.00 40.12 ? 421 ASN A O 1 ATOM 1480 C CB . ASN A 1 187 ? 0.624 14.315 3.945 1.00 41.47 ? 421 ASN A CB 1 ATOM 1481 C CG . ASN A 1 187 ? 0.696 15.226 5.139 1.00 76.19 ? 421 ASN A CG 1 ATOM 1482 O OD1 . ASN A 1 187 ? 1.427 14.995 6.098 1.00 70.22 ? 421 ASN A OD1 1 ATOM 1483 N ND2 . ASN A 1 187 ? -0.068 16.299 5.105 1.00 70.86 ? 421 ASN A ND2 1 ATOM 1484 N N . VAL A 1 188 ? 1.523 11.323 2.872 1.00 38.23 ? 422 VAL A N 1 ATOM 1485 C CA . VAL A 1 188 ? 1.354 10.189 1.947 1.00 37.43 ? 422 VAL A CA 1 ATOM 1486 C C . VAL A 1 188 ? -0.099 10.027 1.577 1.00 39.78 ? 422 VAL A C 1 ATOM 1487 O O . VAL A 1 188 ? -0.950 9.882 2.453 1.00 40.18 ? 422 VAL A O 1 ATOM 1488 C CB . VAL A 1 188 ? 1.978 8.873 2.493 1.00 41.51 ? 422 VAL A CB 1 ATOM 1489 C CG1 . VAL A 1 188 ? 1.720 7.694 1.557 1.00 41.38 ? 422 VAL A CG1 1 ATOM 1490 C CG2 . VAL A 1 188 ? 3.472 9.034 2.746 1.00 41.33 ? 422 VAL A CG2 1 ATOM 1491 N N . PHE A 1 189 ? -0.384 10.081 0.276 1.00 33.75 ? 423 PHE A N 1 ATOM 1492 C CA . PHE A 1 189 ? -1.715 9.897 -0.268 1.00 33.45 ? 423 PHE A CA 1 ATOM 1493 C C . PHE A 1 189 ? -1.742 8.588 -1.031 1.00 38.37 ? 423 PHE A C 1 ATOM 1494 O O . PHE A 1 189 ? -0.826 8.315 -1.812 1.00 37.22 ? 423 PHE A O 1 ATOM 1495 C CB . PHE A 1 189 ? -2.086 11.060 -1.183 1.00 35.53 ? 423 PHE A CB 1 ATOM 1496 C CG . PHE A 1 189 ? -2.278 12.340 -0.412 1.00 36.78 ? 423 PHE A CG 1 ATOM 1497 C CD1 . PHE A 1 189 ? -1.226 13.234 -0.246 1.00 40.45 ? 423 PHE A CD1 1 ATOM 1498 C CD2 . PHE A 1 189 ? -3.493 12.627 0.197 1.00 37.97 ? 423 PHE A CD2 1 ATOM 1499 C CE1 . PHE A 1 189 ? -1.398 14.413 0.478 1.00 41.12 ? 423 PHE A CE1 1 ATOM 1500 C CE2 . PHE A 1 189 ? -3.658 13.794 0.944 1.00 41.36 ? 423 PHE A CE2 1 ATOM 1501 C CZ . PHE A 1 189 ? -2.611 14.684 1.075 1.00 39.68 ? 423 PHE A CZ 1 ATOM 1502 N N . SER A 1 190 ? -2.776 7.768 -0.796 1.00 34.15 ? 424 SER A N 1 ATOM 1503 C CA . SER A 1 190 ? -2.850 6.463 -1.454 1.00 33.34 ? 424 SER A CA 1 ATOM 1504 C C . SER A 1 190 ? -4.061 6.315 -2.301 1.00 36.36 ? 424 SER A C 1 ATOM 1505 O O . SER A 1 190 ? -5.141 6.774 -1.952 1.00 33.96 ? 424 SER A O 1 ATOM 1506 C CB . SER A 1 190 ? -2.775 5.327 -0.438 1.00 35.79 ? 424 SER A CB 1 ATOM 1507 O OG . SER A 1 190 ? -1.473 5.213 0.105 1.00 40.78 ? 424 SER A OG 1 ATOM 1508 N N . CYS A 1 191 ? -3.866 5.696 -3.453 1.00 36.14 ? 425 CYS A N 1 ATOM 1509 C CA . CYS A 1 191 ? -4.921 5.395 -4.396 1.00 37.92 ? 425 CYS A CA 1 ATOM 1510 C C . CYS A 1 191 ? -5.335 3.915 -4.166 1.00 34.92 ? 425 CYS A C 1 ATOM 1511 O O . CYS A 1 191 ? -4.482 3.062 -4.307 1.00 33.88 ? 425 CYS A O 1 ATOM 1512 C CB . CYS A 1 191 ? -4.402 5.604 -5.816 1.00 41.52 ? 425 CYS A CB 1 ATOM 1513 S SG . CYS A 1 191 ? -5.556 5.053 -7.072 1.00 47.76 ? 425 CYS A SG 1 ATOM 1514 N N . SER A 1 192 ? -6.607 3.622 -3.811 1.00 29.57 ? 426 SER A N 1 ATOM 1515 C CA . SER A 1 192 ? -7.116 2.245 -3.585 1.00 27.39 ? 426 SER A CA 1 ATOM 1516 C C . SER A 1 192 ? -7.836 1.769 -4.821 1.00 27.61 ? 426 SER A C 1 ATOM 1517 O O . SER A 1 192 ? -8.713 2.456 -5.299 1.00 27.16 ? 426 SER A O 1 ATOM 1518 C CB . SER A 1 192 ? -8.108 2.213 -2.416 1.00 28.81 ? 426 SER A CB 1 ATOM 1519 O OG . SER A 1 192 ? -7.414 2.316 -1.187 1.00 44.16 ? 426 SER A OG 1 ATOM 1520 N N . VAL A 1 193 ? -7.485 0.599 -5.331 1.00 25.74 ? 427 VAL A N 1 ATOM 1521 C CA . VAL A 1 193 ? -8.148 0.056 -6.521 1.00 25.48 ? 427 VAL A CA 1 ATOM 1522 C C . VAL A 1 193 ? -8.693 -1.334 -6.175 1.00 30.86 ? 427 VAL A C 1 ATOM 1523 O O . VAL A 1 193 ? -7.937 -2.193 -5.732 1.00 29.56 ? 427 VAL A O 1 ATOM 1524 C CB . VAL A 1 193 ? -7.193 -0.014 -7.742 1.00 28.70 ? 427 VAL A CB 1 ATOM 1525 C CG1 . VAL A 1 193 ? -7.887 -0.649 -8.944 1.00 28.30 ? 427 VAL A CG1 1 ATOM 1526 C CG2 . VAL A 1 193 ? -6.644 1.364 -8.105 1.00 28.48 ? 427 VAL A CG2 1 ATOM 1527 N N . MET A 1 194 ? -9.994 -1.537 -6.378 1.00 29.59 ? 428 MET A N 1 ATOM 1528 C CA . MET A 1 194 ? -10.631 -2.839 -6.166 1.00 29.78 ? 428 MET A CA 1 ATOM 1529 C C . MET A 1 194 ? -11.067 -3.361 -7.512 1.00 28.41 ? 428 MET A C 1 ATOM 1530 O O . MET A 1 194 ? -11.796 -2.675 -8.218 1.00 26.78 ? 428 MET A O 1 ATOM 1531 C CB . MET A 1 194 ? -11.830 -2.721 -5.222 1.00 33.81 ? 428 MET A CB 1 ATOM 1532 C CG . MET A 1 194 ? -11.447 -2.261 -3.836 1.00 41.19 ? 428 MET A CG 1 ATOM 1533 S SD . MET A 1 194 ? -12.876 -2.175 -2.728 1.00 49.22 ? 428 MET A SD 1 ATOM 1534 C CE . MET A 1 194 ? -13.579 -0.635 -3.224 1.00 45.24 ? 428 MET A CE 1 ATOM 1535 N N . HIS A 1 195 ? -10.620 -4.570 -7.868 1.00 25.19 ? 429 HIS A N 1 ATOM 1536 C CA . HIS A 1 195 ? -10.941 -5.225 -9.142 1.00 23.97 ? 429 HIS A CA 1 ATOM 1537 C C . HIS A 1 195 ? -10.740 -6.708 -8.950 1.00 30.76 ? 429 HIS A C 1 ATOM 1538 O O . HIS A 1 195 ? -9.744 -7.114 -8.365 1.00 31.12 ? 429 HIS A O 1 ATOM 1539 C CB . HIS A 1 195 ? -10.039 -4.708 -10.285 1.00 23.50 ? 429 HIS A CB 1 ATOM 1540 C CG . HIS A 1 195 ? -10.439 -5.219 -11.636 1.00 25.82 ? 429 HIS A CG 1 ATOM 1541 N ND1 . HIS A 1 195 ? -10.005 -6.459 -12.098 1.00 26.51 ? 429 HIS A ND1 1 ATOM 1542 C CD2 . HIS A 1 195 ? -11.237 -4.656 -12.574 1.00 26.65 ? 429 HIS A CD2 1 ATOM 1543 C CE1 . HIS A 1 195 ? -10.544 -6.604 -13.300 1.00 25.85 ? 429 HIS A CE1 1 ATOM 1544 N NE2 . HIS A 1 195 ? -11.307 -5.557 -13.628 1.00 26.28 ? 429 HIS A NE2 1 ATOM 1545 N N . GLU A 1 196 ? -11.651 -7.523 -9.500 1.00 29.28 ? 430 GLU A N 1 ATOM 1546 C CA . GLU A 1 196 ? -11.576 -8.982 -9.386 1.00 29.40 ? 430 GLU A CA 1 ATOM 1547 C C . GLU A 1 196 ? -10.247 -9.623 -9.766 1.00 33.10 ? 430 GLU A C 1 ATOM 1548 O O . GLU A 1 196 ? -9.886 -10.626 -9.151 1.00 33.57 ? 430 GLU A O 1 ATOM 1549 C CB . GLU A 1 196 ? -12.714 -9.661 -10.157 1.00 30.35 ? 430 GLU A CB 1 ATOM 1550 C CG . GLU A 1 196 ? -12.696 -9.415 -11.657 1.00 36.80 ? 430 GLU A CG 1 ATOM 1551 C CD . GLU A 1 196 ? -13.928 -9.996 -12.319 1.00 55.42 ? 430 GLU A CD 1 ATOM 1552 O OE1 . GLU A 1 196 ? -13.824 -11.127 -12.834 1.00 47.69 ? 430 GLU A OE1 1 ATOM 1553 O OE2 . GLU A 1 196 ? -14.999 -9.348 -12.289 1.00 61.08 ? 430 GLU A OE2 1 ATOM 1554 N N . ALA A 1 197 ? -9.550 -9.087 -10.802 1.00 29.33 ? 431 ALA A N 1 ATOM 1555 C CA . ALA A 1 197 ? -8.332 -9.708 -11.309 1.00 29.24 ? 431 ALA A CA 1 ATOM 1556 C C . ALA A 1 197 ? -7.062 -9.398 -10.534 1.00 34.22 ? 431 ALA A C 1 ATOM 1557 O O . ALA A 1 197 ? -6.043 -10.033 -10.787 1.00 34.76 ? 431 ALA A O 1 ATOM 1558 C CB . ALA A 1 197 ? -8.165 -9.437 -12.801 1.00 29.45 ? 431 ALA A CB 1 ATOM 1559 N N . LEU A 1 198 ? -7.108 -8.450 -9.582 1.00 30.73 ? 432 LEU A N 1 ATOM 1560 C CA . LEU A 1 198 ? -5.928 -8.135 -8.774 1.00 30.40 ? 432 LEU A CA 1 ATOM 1561 C C . LEU A 1 198 ? -5.756 -9.234 -7.761 1.00 35.45 ? 432 LEU A C 1 ATOM 1562 O O . LEU A 1 198 ? -6.725 -9.908 -7.432 1.00 34.98 ? 432 LEU A O 1 ATOM 1563 C CB . LEU A 1 198 ? -6.099 -6.803 -8.008 1.00 29.64 ? 432 LEU A CB 1 ATOM 1564 C CG . LEU A 1 198 ? -6.114 -5.531 -8.841 1.00 33.66 ? 432 LEU A CG 1 ATOM 1565 C CD1 . LEU A 1 198 ? -6.828 -4.385 -8.100 1.00 32.72 ? 432 LEU A CD1 1 ATOM 1566 C CD2 . LEU A 1 198 ? -4.706 -5.149 -9.278 1.00 36.68 ? 432 LEU A CD2 1 ATOM 1567 N N . HIS A 1 199 ? -4.538 -9.403 -7.236 1.00 34.90 ? 433 HIS A N 1 ATOM 1568 C CA . HIS A 1 199 ? -4.325 -10.381 -6.180 1.00 35.06 ? 433 HIS A CA 1 ATOM 1569 C C . HIS A 1 199 ? -5.059 -9.862 -4.950 1.00 36.33 ? 433 HIS A C 1 ATOM 1570 O O . HIS A 1 199 ? -4.879 -8.699 -4.558 1.00 34.25 ? 433 HIS A O 1 ATOM 1571 C CB . HIS A 1 199 ? -2.838 -10.590 -5.894 1.00 36.53 ? 433 HIS A CB 1 ATOM 1572 C CG . HIS A 1 199 ? -2.590 -11.533 -4.762 1.00 40.75 ? 433 HIS A CG 1 ATOM 1573 N ND1 . HIS A 1 199 ? -2.917 -12.881 -4.855 1.00 42.86 ? 433 HIS A ND1 1 ATOM 1574 C CD2 . HIS A 1 199 ? -2.060 -11.295 -3.541 1.00 43.05 ? 433 HIS A CD2 1 ATOM 1575 C CE1 . HIS A 1 199 ? -2.584 -13.409 -3.690 1.00 42.61 ? 433 HIS A CE1 1 ATOM 1576 N NE2 . HIS A 1 199 ? -2.071 -12.491 -2.865 1.00 42.89 ? 433 HIS A NE2 1 ATOM 1577 N N . ASN A 1 200 ? -5.945 -10.713 -4.402 1.00 32.40 ? 434 ASN A N 1 ATOM 1578 C CA . ASN A 1 200 ? -6.803 -10.420 -3.251 1.00 32.78 ? 434 ASN A CA 1 ATOM 1579 C C . ASN A 1 200 ? -7.837 -9.322 -3.569 1.00 33.54 ? 434 ASN A C 1 ATOM 1580 O O . ASN A 1 200 ? -8.395 -8.713 -2.658 1.00 32.86 ? 434 ASN A O 1 ATOM 1581 C CB . ASN A 1 200 ? -5.984 -10.128 -1.977 1.00 36.86 ? 434 ASN A CB 1 ATOM 1582 C CG . ASN A 1 200 ? -5.344 -11.344 -1.353 1.00 55.95 ? 434 ASN A CG 1 ATOM 1583 O OD1 . ASN A 1 200 ? -5.680 -12.497 -1.650 1.00 53.13 ? 434 ASN A OD1 1 ATOM 1584 N ND2 . ASN A 1 200 ? -4.405 -11.103 -0.464 1.00 49.14 ? 434 ASN A ND2 1 ATOM 1585 N N . HIS A 1 201 ? -8.101 -9.099 -4.884 1.00 29.32 ? 435 HIS A N 1 ATOM 1586 C CA . HIS A 1 201 ? -9.064 -8.126 -5.423 1.00 29.34 ? 435 HIS A CA 1 ATOM 1587 C C . HIS A 1 201 ? -8.788 -6.683 -4.990 1.00 33.75 ? 435 HIS A C 1 ATOM 1588 O O . HIS A 1 201 ? -9.663 -5.820 -5.103 1.00 31.81 ? 435 HIS A O 1 ATOM 1589 C CB . HIS A 1 201 ? -10.512 -8.547 -5.097 1.00 30.93 ? 435 HIS A CB 1 ATOM 1590 C CG . HIS A 1 201 ? -10.709 -10.030 -5.180 1.00 34.81 ? 435 HIS A CG 1 ATOM 1591 N ND1 . HIS A 1 201 ? -10.644 -10.697 -6.389 1.00 36.86 ? 435 HIS A ND1 1 ATOM 1592 C CD2 . HIS A 1 201 ? -10.852 -10.937 -4.190 1.00 36.82 ? 435 HIS A CD2 1 ATOM 1593 C CE1 . HIS A 1 201 ? -10.800 -11.975 -6.107 1.00 36.56 ? 435 HIS A CE1 1 ATOM 1594 N NE2 . HIS A 1 201 ? -10.904 -12.175 -4.793 1.00 37.07 ? 435 HIS A NE2 1 ATOM 1595 N N . TYR A 1 202 ? -7.561 -6.413 -4.537 1.00 33.79 ? 436 TYR A N 1 ATOM 1596 C CA . TYR A 1 202 ? -7.194 -5.088 -4.040 1.00 34.71 ? 436 TYR A CA 1 ATOM 1597 C C . TYR A 1 202 ? -5.704 -4.789 -4.267 1.00 35.81 ? 436 TYR A C 1 ATOM 1598 O O . TYR A 1 202 ? -4.839 -5.666 -4.171 1.00 34.39 ? 436 TYR A O 1 ATOM 1599 C CB . TYR A 1 202 ? -7.573 -4.974 -2.521 1.00 37.24 ? 436 TYR A CB 1 ATOM 1600 C CG . TYR A 1 202 ? -7.202 -3.666 -1.845 1.00 41.27 ? 436 TYR A CG 1 ATOM 1601 C CD1 . TYR A 1 202 ? -8.179 -2.812 -1.345 1.00 43.61 ? 436 TYR A CD1 1 ATOM 1602 C CD2 . TYR A 1 202 ? -5.875 -3.266 -1.736 1.00 43.45 ? 436 TYR A CD2 1 ATOM 1603 C CE1 . TYR A 1 202 ? -7.838 -1.593 -0.738 1.00 44.23 ? 436 TYR A CE1 1 ATOM 1604 C CE2 . TYR A 1 202 ? -5.531 -2.023 -1.204 1.00 45.12 ? 436 TYR A CE2 1 ATOM 1605 C CZ . TYR A 1 202 ? -6.508 -1.211 -0.663 1.00 53.25 ? 436 TYR A CZ 1 ATOM 1606 O OH . TYR A 1 202 ? -6.124 -0.031 -0.062 1.00 57.39 ? 436 TYR A OH 1 ATOM 1607 N N . THR A 1 203 ? -5.426 -3.525 -4.595 1.00 31.89 ? 437 THR A N 1 ATOM 1608 C CA . THR A 1 203 ? -4.080 -2.971 -4.685 1.00 31.53 ? 437 THR A CA 1 ATOM 1609 C C . THR A 1 203 ? -4.138 -1.503 -4.254 1.00 35.96 ? 437 THR A C 1 ATOM 1610 O O . THR A 1 203 ? -5.210 -0.899 -4.226 1.00 33.65 ? 437 THR A O 1 ATOM 1611 C CB . THR A 1 203 ? -3.420 -3.169 -6.053 1.00 42.05 ? 437 THR A CB 1 ATOM 1612 O OG1 . THR A 1 203 ? -2.011 -2.966 -5.885 1.00 43.37 ? 437 THR A OG1 1 ATOM 1613 C CG2 . THR A 1 203 ? -3.960 -2.202 -7.117 1.00 37.24 ? 437 THR A CG2 1 ATOM 1614 N N . GLN A 1 204 ? -2.985 -0.937 -3.908 1.00 34.73 ? 438 GLN A N 1 ATOM 1615 C CA . GLN A 1 204 ? -2.887 0.481 -3.597 1.00 34.54 ? 438 GLN A CA 1 ATOM 1616 C C . GLN A 1 204 ? -1.530 1.014 -4.022 1.00 38.83 ? 438 GLN A C 1 ATOM 1617 O O . GLN A 1 204 ? -0.534 0.280 -4.026 1.00 37.91 ? 438 GLN A O 1 ATOM 1618 C CB . GLN A 1 204 ? -3.217 0.802 -2.134 1.00 35.42 ? 438 GLN A CB 1 ATOM 1619 C CG . GLN A 1 204 ? -2.131 0.422 -1.166 1.00 47.68 ? 438 GLN A CG 1 ATOM 1620 C CD . GLN A 1 204 ? -2.425 0.858 0.240 1.00 62.77 ? 438 GLN A CD 1 ATOM 1621 O OE1 . GLN A 1 204 ? -3.464 0.516 0.829 1.00 52.03 ? 438 GLN A OE1 1 ATOM 1622 N NE2 . GLN A 1 204 ? -1.470 1.572 0.826 1.00 52.12 ? 438 GLN A NE2 1 ATOM 1623 N N . LYS A 1 205 ? -1.518 2.269 -4.448 1.00 35.19 ? 439 LYS A N 1 ATOM 1624 C CA . LYS A 1 205 ? -0.293 2.944 -4.835 1.00 34.79 ? 439 LYS A CA 1 ATOM 1625 C C . LYS A 1 205 ? -0.249 4.218 -4.037 1.00 38.80 ? 439 LYS A C 1 ATOM 1626 O O . LYS A 1 205 ? -1.272 4.903 -3.914 1.00 36.76 ? 439 LYS A O 1 ATOM 1627 C CB . LYS A 1 205 ? -0.239 3.216 -6.345 1.00 36.69 ? 439 LYS A CB 1 ATOM 1628 C CG . LYS A 1 205 ? -0.063 1.985 -7.225 1.00 48.11 ? 439 LYS A CG 1 ATOM 1629 C CD . LYS A 1 205 ? 1.270 1.256 -7.033 1.00 59.79 ? 439 LYS A CD 1 ATOM 1630 C CE . LYS A 1 205 ? 1.373 0.017 -7.901 1.00 74.76 ? 439 LYS A CE 1 ATOM 1631 N NZ . LYS A 1 205 ? 0.489 -1.089 -7.436 1.00 82.48 ? 439 LYS A NZ 1 ATOM 1632 N N . SER A 1 206 ? 0.918 4.495 -3.448 1.00 38.06 ? 440 SER A N 1 ATOM 1633 C CA . SER A 1 206 ? 1.145 5.651 -2.594 1.00 39.93 ? 440 SER A CA 1 ATOM 1634 C C . SER A 1 206 ? 1.929 6.719 -3.322 1.00 47.02 ? 440 SER A C 1 ATOM 1635 O O . SER A 1 206 ? 2.761 6.413 -4.169 1.00 46.00 ? 440 SER A O 1 ATOM 1636 C CB . SER A 1 206 ? 1.859 5.237 -1.313 1.00 43.78 ? 440 SER A CB 1 ATOM 1637 O OG . SER A 1 206 ? 1.001 4.412 -0.545 1.00 52.97 ? 440 SER A OG 1 ATOM 1638 N N . LEU A 1 207 ? 1.639 7.974 -2.988 1.00 45.66 ? 441 LEU A N 1 ATOM 1639 C CA . LEU A 1 207 ? 2.254 9.154 -3.575 1.00 46.39 ? 441 LEU A CA 1 ATOM 1640 C C . LEU A 1 207 ? 2.596 10.158 -2.461 1.00 47.58 ? 441 LEU A C 1 ATOM 1641 O O . LEU A 1 207 ? 1.742 10.485 -1.636 1.00 43.38 ? 441 LEU A O 1 ATOM 1642 C CB . LEU A 1 207 ? 1.248 9.764 -4.570 1.00 47.06 ? 441 LEU A CB 1 ATOM 1643 C CG . LEU A 1 207 ? 1.765 10.737 -5.619 1.00 52.86 ? 441 LEU A CG 1 ATOM 1644 C CD1 . LEU A 1 207 ? 2.988 10.183 -6.375 1.00 53.69 ? 441 LEU A CD1 1 ATOM 1645 C CD2 . LEU A 1 207 ? 0.658 11.100 -6.591 1.00 54.95 ? 441 LEU A CD2 1 ATOM 1646 N N . SER A 1 208 ? 3.858 10.624 -2.437 1.00 45.74 ? 442 SER A N 1 ATOM 1647 C CA . SER A 1 208 ? 4.344 11.628 -1.482 1.00 45.77 ? 442 SER A CA 1 ATOM 1648 C C . SER A 1 208 ? 5.552 12.391 -2.006 1.00 53.28 ? 442 SER A C 1 ATOM 1649 O O . SER A 1 208 ? 6.340 11.858 -2.798 1.00 52.57 ? 442 SER A O 1 ATOM 1650 C CB . SER A 1 208 ? 4.688 11.005 -0.134 1.00 46.88 ? 442 SER A CB 1 ATOM 1651 O OG . SER A 1 208 ? 5.844 10.199 -0.214 1.00 49.39 ? 442 SER A OG 1 ATOM 1652 N N . LEU A 1 209 ? 5.695 13.639 -1.534 1.00 51.21 ? 443 LEU A N 1 ATOM 1653 C CA . LEU A 1 209 ? 6.820 14.511 -1.845 1.00 51.84 ? 443 LEU A CA 1 ATOM 1654 C C . LEU A 1 209 ? 7.880 14.275 -0.766 1.00 57.16 ? 443 LEU A C 1 ATOM 1655 O O . LEU A 1 209 ? 7.594 14.446 0.420 1.00 57.40 ? 443 LEU A O 1 ATOM 1656 C CB . LEU A 1 209 ? 6.347 15.972 -1.845 1.00 51.73 ? 443 LEU A CB 1 ATOM 1657 C CG . LEU A 1 209 ? 7.226 16.988 -2.567 1.00 56.36 ? 443 LEU A CG 1 ATOM 1658 C CD1 . LEU A 1 209 ? 7.290 16.703 -4.075 1.00 56.01 ? 443 LEU A CD1 1 ATOM 1659 C CD2 . LEU A 1 209 ? 6.703 18.384 -2.331 1.00 58.15 ? 443 LEU A CD2 1 ATOM 1660 N N . SER A 1 210 ? 9.075 13.813 -1.167 1.00 54.36 ? 444 SER A N 1 ATOM 1661 C CA . SER A 1 210 ? 10.176 13.502 -0.246 1.00 82.25 ? 444 SER A CA 1 ATOM 1662 C C . SER A 1 210 ? 11.045 14.706 0.158 1.00 98.44 ? 444 SER A C 1 ATOM 1663 O O . SER A 1 210 ? 11.219 15.659 -0.603 1.00 53.09 ? 444 SER A O 1 ATOM 1664 C CB . SER A 1 210 ? 11.034 12.370 -0.800 1.00 85.96 ? 444 SER A CB 1 ATOM 1665 O OG . SER A 1 210 ? 10.269 11.181 -0.898 1.00 96.04 ? 444 SER A OG 1 HETATM 1666 C C1 . NAG B 2 . ? -44.458 4.381 -18.770 1.00 84.76 ? 501 NAG A C1 1 HETATM 1667 C C2 . NAG B 2 . ? -43.898 3.876 -20.132 1.00 86.40 ? 501 NAG A C2 1 HETATM 1668 C C3 . NAG B 2 . ? -42.649 3.010 -19.871 1.00 87.86 ? 501 NAG A C3 1 HETATM 1669 C C4 . NAG B 2 . ? -41.634 3.797 -18.989 1.00 88.32 ? 501 NAG A C4 1 HETATM 1670 C C5 . NAG B 2 . ? -42.346 4.375 -17.739 1.00 87.84 ? 501 NAG A C5 1 HETATM 1671 C C6 . NAG B 2 . ? -41.452 5.258 -16.858 1.00 89.42 ? 501 NAG A C6 1 HETATM 1672 C C7 . NAG B 2 . ? -45.207 3.387 -22.243 1.00 88.92 ? 501 NAG A C7 1 HETATM 1673 C C8 . NAG B 2 . ? -44.412 4.423 -23.000 1.00 89.72 ? 501 NAG A C8 1 HETATM 1674 N N2 . NAG B 2 . ? -44.916 3.184 -20.916 1.00 87.43 ? 501 NAG A N2 1 HETATM 1675 O O3 . NAG B 2 . ? -42.099 2.593 -21.138 1.00 89.85 ? 501 NAG A O3 1 HETATM 1676 O O4 . NAG B 2 . ? -40.639 2.920 -18.508 1.00 90.20 ? 501 NAG A O4 1 HETATM 1677 O O5 . NAG B 2 . ? -43.450 5.181 -18.169 1.00 86.09 ? 501 NAG A O5 1 HETATM 1678 O O6 . NAG B 2 . ? -41.048 6.330 -17.687 1.00 93.02 ? 501 NAG A O6 1 HETATM 1679 O O7 . NAG B 2 . ? -46.084 2.738 -22.780 1.00 90.92 ? 501 NAG A O7 1 HETATM 1680 C C1 . NAG C 2 . ? -39.495 2.999 -19.315 1.00 86.94 ? 502 NAG A C1 1 HETATM 1681 C C2 . NAG C 2 . ? -38.319 2.614 -18.404 1.00 88.44 ? 502 NAG A C2 1 HETATM 1682 C C3 . NAG C 2 . ? -37.069 2.373 -19.242 1.00 89.85 ? 502 NAG A C3 1 HETATM 1683 C C4 . NAG C 2 . ? -37.351 1.420 -20.439 1.00 90.30 ? 502 NAG A C4 1 HETATM 1684 C C5 . NAG C 2 . ? -38.545 1.979 -21.235 1.00 89.65 ? 502 NAG A C5 1 HETATM 1685 C C6 . NAG C 2 . ? -38.897 1.215 -22.526 1.00 90.83 ? 502 NAG A C6 1 HETATM 1686 C C7 . NAG C 2 . ? -38.310 3.234 -16.028 1.00 90.84 ? 502 NAG A C7 1 HETATM 1687 C C8 . NAG C 2 . ? -37.977 4.330 -15.070 1.00 91.65 ? 502 NAG A C8 1 HETATM 1688 N N2 . NAG C 2 . ? -38.064 3.562 -17.327 1.00 89.40 ? 502 NAG A N2 1 HETATM 1689 O O3 . NAG C 2 . ? -36.073 1.881 -18.332 1.00 91.83 ? 502 NAG A O3 1 HETATM 1690 O O4 . NAG C 2 . ? -36.272 1.557 -21.322 1.00 92.50 ? 502 NAG A O4 1 HETATM 1691 O O5 . NAG C 2 . ? -39.664 2.029 -20.353 1.00 88.07 ? 502 NAG A O5 1 HETATM 1692 O O6 . NAG C 2 . ? -40.278 1.313 -22.882 1.00 92.87 ? 502 NAG A O6 1 HETATM 1693 O O7 . NAG C 2 . ? -38.760 2.152 -15.662 1.00 92.69 ? 502 NAG A O7 1 HETATM 1694 C C1 . BMA D 3 . ? -35.209 0.672 -21.086 1.00 91.14 ? 503 BMA A C1 1 HETATM 1695 C C2 . BMA D 3 . ? -34.537 0.467 -22.445 1.00 92.03 ? 503 BMA A C2 1 HETATM 1696 C C3 . BMA D 3 . ? -33.066 0.066 -22.235 1.00 93.80 ? 503 BMA A C3 1 HETATM 1697 C C4 . BMA D 3 . ? -32.271 0.799 -21.163 1.00 93.58 ? 503 BMA A C4 1 HETATM 1698 C C5 . BMA D 3 . ? -33.137 0.742 -19.923 1.00 93.43 ? 503 BMA A C5 1 HETATM 1699 C C6 . BMA D 3 . ? -32.467 1.565 -18.874 1.00 93.86 ? 503 BMA A C6 1 HETATM 1700 O O2 . BMA D 3 . ? -34.653 1.595 -23.343 1.00 92.52 ? 503 BMA A O2 1 HETATM 1701 O O3 . BMA D 3 . ? -32.383 0.024 -23.466 1.00 95.31 ? 503 BMA A O3 1 HETATM 1702 O O4 . BMA D 3 . ? -31.090 0.034 -20.919 1.00 94.62 ? 503 BMA A O4 1 HETATM 1703 O O5 . BMA D 3 . ? -34.362 1.402 -20.219 1.00 92.10 ? 503 BMA A O5 1 HETATM 1704 O O6 . BMA D 3 . ? -33.296 1.697 -17.746 1.00 95.01 ? 503 BMA A O6 1 HETATM 1705 C C1 . MAN E 4 . ? -32.168 -1.343 -23.766 1.00 97.14 ? 504 MAN A C1 1 HETATM 1706 C C2 . MAN E 4 . ? -31.315 -1.532 -25.050 1.00 99.39 ? 504 MAN A C2 1 HETATM 1707 C C3 . MAN E 4 . ? -32.111 -0.926 -26.221 1.00 100.01 ? 504 MAN A C3 1 HETATM 1708 C C4 . MAN E 4 . ? -33.454 -1.680 -26.339 1.00 99.84 ? 504 MAN A C4 1 HETATM 1709 C C5 . MAN E 4 . ? -34.220 -1.548 -25.013 1.00 99.56 ? 504 MAN A C5 1 HETATM 1710 C C6 . MAN E 4 . ? -35.500 -2.362 -25.001 1.00 100.73 ? 504 MAN A C6 1 HETATM 1711 O O2 . MAN E 4 . ? -31.215 -2.952 -25.374 1.00 101.73 ? 504 MAN A O2 1 HETATM 1712 O O3 . MAN E 4 . ? -31.351 -1.108 -27.428 1.00 102.14 ? 504 MAN A O3 1 HETATM 1713 O O4 . MAN E 4 . ? -34.168 -1.232 -27.481 1.00 101.05 ? 504 MAN A O4 1 HETATM 1714 O O5 . MAN E 4 . ? -33.413 -2.053 -23.926 1.00 98.14 ? 504 MAN A O5 1 HETATM 1715 O O6 . MAN E 4 . ? -36.360 -1.826 -26.000 1.00 102.79 ? 504 MAN A O6 1 HETATM 1716 C C1 . NAG F 2 . ? -30.702 -3.804 -24.356 1.00 103.71 ? 505 NAG A C1 1 HETATM 1717 C C2 . NAG F 2 . ? -31.119 -5.313 -24.588 1.00 105.55 ? 505 NAG A C2 1 HETATM 1718 C C3 . NAG F 2 . ? -30.138 -6.247 -23.789 1.00 107.03 ? 505 NAG A C3 1 HETATM 1719 C C4 . NAG F 2 . ? -28.628 -5.831 -23.833 1.00 107.61 ? 505 NAG A C4 1 HETATM 1720 C C5 . NAG F 2 . ? -28.394 -4.569 -24.712 1.00 106.82 ? 505 NAG A C5 1 HETATM 1721 C C6 . NAG F 2 . ? -28.445 -4.733 -26.268 1.00 108.11 ? 505 NAG A C6 1 HETATM 1722 C C7 . NAG F 2 . ? -33.545 -5.852 -25.306 1.00 108.11 ? 505 NAG A C7 1 HETATM 1723 C C8 . NAG F 2 . ? -33.113 -5.877 -26.756 1.00 108.92 ? 505 NAG A C8 1 HETATM 1724 N N2 . NAG F 2 . ? -32.562 -5.587 -24.359 1.00 106.58 ? 505 NAG A N2 1 HETATM 1725 O O3 . NAG F 2 . ? -30.284 -7.635 -24.171 1.00 109.17 ? 505 NAG A O3 1 HETATM 1726 O O4 . NAG F 2 . ? -28.244 -5.466 -22.490 1.00 110.05 ? 505 NAG A O4 1 HETATM 1727 O O5 . NAG F 2 . ? -29.289 -3.525 -24.254 1.00 105.09 ? 505 NAG A O5 1 HETATM 1728 O O6 . NAG F 2 . ? -28.723 -6.073 -26.713 1.00 110.23 ? 505 NAG A O6 1 HETATM 1729 O O7 . NAG F 2 . ? -34.716 -6.059 -24.976 1.00 110.12 ? 505 NAG A O7 1 HETATM 1730 C C1 . MAN G 4 . ? -32.473 2.098 -16.683 1.00 93.61 ? 506 MAN A C1 1 HETATM 1731 C C2 . MAN G 4 . ? -33.242 2.156 -15.352 1.00 95.29 ? 506 MAN A C2 1 HETATM 1732 C C3 . MAN G 4 . ? -34.296 3.272 -15.398 1.00 96.00 ? 506 MAN A C3 1 HETATM 1733 C C4 . MAN G 4 . ? -33.680 4.623 -15.856 1.00 95.94 ? 506 MAN A C4 1 HETATM 1734 C C5 . MAN G 4 . ? -32.850 4.422 -17.151 1.00 95.92 ? 506 MAN A C5 1 HETATM 1735 C C6 . MAN G 4 . ? -32.154 5.693 -17.689 1.00 97.17 ? 506 MAN A C6 1 HETATM 1736 O O2 . MAN G 4 . ? -32.286 2.570 -14.376 1.00 96.55 ? 506 MAN A O2 1 HETATM 1737 O O3 . MAN G 4 . ? -34.901 3.407 -14.095 1.00 98.01 ? 506 MAN A O3 1 HETATM 1738 O O4 . MAN G 4 . ? -34.757 5.533 -16.039 1.00 97.11 ? 506 MAN A O4 1 HETATM 1739 O O5 . MAN G 4 . ? -31.876 3.366 -16.957 1.00 94.58 ? 506 MAN A O5 1 HETATM 1740 O O6 . MAN G 4 . ? -30.881 5.389 -18.304 1.00 99.32 ? 506 MAN A O6 1 HETATM 1741 C C1 . NAG H 2 . ? -31.501 1.528 -13.845 1.00 95.52 ? 507 NAG A C1 1 HETATM 1742 C C2 . NAG H 2 . ? -30.287 2.226 -13.186 1.00 97.21 ? 507 NAG A C2 1 HETATM 1743 C C3 . NAG H 2 . ? -29.490 1.272 -12.283 1.00 98.61 ? 507 NAG A C3 1 HETATM 1744 C C4 . NAG H 2 . ? -30.419 0.457 -11.335 1.00 99.23 ? 507 NAG A C4 1 HETATM 1745 C C5 . NAG H 2 . ? -31.670 -0.100 -12.074 1.00 98.39 ? 507 NAG A C5 1 HETATM 1746 C C6 . NAG H 2 . ? -32.748 -0.653 -11.125 1.00 99.63 ? 507 NAG A C6 1 HETATM 1747 C C7 . NAG H 2 . ? -29.576 4.355 -14.232 1.00 99.67 ? 507 NAG A C7 1 HETATM 1748 C C8 . NAG H 2 . ? -28.681 4.939 -15.284 1.00 100.47 ? 507 NAG A C8 1 HETATM 1749 N N2 . NAG H 2 . ? -29.486 2.989 -14.147 1.00 98.17 ? 507 NAG A N2 1 HETATM 1750 O O3 . NAG H 2 . ? -28.612 2.106 -11.515 1.00 100.73 ? 507 NAG A O3 1 HETATM 1751 O O4 . NAG H 2 . ? -29.670 -0.637 -10.774 1.00 101.61 ? 507 NAG A O4 1 HETATM 1752 O O5 . NAG H 2 . ? -32.316 0.901 -12.869 1.00 96.77 ? 507 NAG A O5 1 HETATM 1753 O O6 . NAG H 2 . ? -33.711 0.323 -10.704 1.00 101.60 ? 507 NAG A O6 1 HETATM 1754 O O7 . NAG H 2 . ? -30.314 5.045 -13.520 1.00 101.61 ? 507 NAG A O7 1 HETATM 1755 C C1 . NAG I 2 . ? -7.658 19.330 -11.368 1.00 97.50 ? 508 NAG A C1 1 HETATM 1756 C C2 . NAG I 2 . ? -7.807 20.791 -11.874 1.00 99.31 ? 508 NAG A C2 1 HETATM 1757 C C3 . NAG I 2 . ? -9.352 20.958 -12.013 1.00 100.82 ? 508 NAG A C3 1 HETATM 1758 C C4 . NAG I 2 . ? -10.017 19.828 -12.872 1.00 101.33 ? 508 NAG A C4 1 HETATM 1759 C C5 . NAG I 2 . ? -9.628 18.459 -12.233 1.00 100.59 ? 508 NAG A C5 1 HETATM 1760 C C6 . NAG I 2 . ? -10.164 17.220 -12.964 1.00 101.84 ? 508 NAG A C6 1 HETATM 1761 C C7 . NAG I 2 . ? -7.477 21.801 -9.554 1.00 101.90 ? 508 NAG A C7 1 HETATM 1762 C C8 . NAG I 2 . ? -6.716 22.852 -8.796 1.00 102.71 ? 508 NAG A C8 1 HETATM 1763 N N2 . NAG I 2 . ? -7.193 21.740 -10.912 1.00 100.38 ? 508 NAG A N2 1 HETATM 1764 O O3 . NAG I 2 . ? -9.727 22.281 -12.423 1.00 102.88 ? 508 NAG A O3 1 HETATM 1765 O O4 . NAG I 2 . ? -11.455 19.975 -12.868 1.00 103.81 ? 508 NAG A O4 1 HETATM 1766 O O5 . NAG I 2 . ? -8.201 18.360 -12.223 1.00 98.83 ? 508 NAG A O5 1 HETATM 1767 O O6 . NAG I 2 . ? -9.382 16.927 -14.132 1.00 103.94 ? 508 NAG A O6 1 HETATM 1768 O O7 . NAG I 2 . ? -8.285 21.070 -8.982 1.00 103.98 ? 508 NAG A O7 1 HETATM 1769 O O . HOH J 5 . ? -29.365 -3.895 -9.733 1.00 37.90 ? 601 HOH A O 1 HETATM 1770 O O . HOH J 5 . ? -25.855 -3.724 -6.381 1.00 26.74 ? 602 HOH A O 1 HETATM 1771 O O . HOH J 5 . ? -30.497 -19.253 -13.708 1.00 39.17 ? 603 HOH A O 1 HETATM 1772 O O . HOH J 5 . ? -33.079 -20.019 -1.736 1.00 60.21 ? 604 HOH A O 1 HETATM 1773 O O . HOH J 5 . ? -33.303 -8.872 -2.004 1.00 61.52 ? 605 HOH A O 1 HETATM 1774 O O . HOH J 5 . ? -31.370 -12.290 1.264 1.00 65.87 ? 606 HOH A O 1 HETATM 1775 O O . HOH J 5 . ? -42.244 -2.427 -7.042 1.00 35.33 ? 607 HOH A O 1 HETATM 1776 O O . HOH J 5 . ? -44.733 1.158 -15.792 1.00 48.73 ? 608 HOH A O 1 HETATM 1777 O O . HOH J 5 . ? -25.925 -15.915 -5.742 1.00 33.52 ? 609 HOH A O 1 HETATM 1778 O O . HOH J 5 . ? -19.460 -19.416 -6.318 1.00 45.71 ? 610 HOH A O 1 HETATM 1779 O O . HOH J 5 . ? -22.145 -13.633 -12.925 1.00 30.00 ? 611 HOH A O 1 HETATM 1780 O O . HOH J 5 . ? -48.009 -14.708 -17.416 1.00 45.04 ? 612 HOH A O 1 HETATM 1781 O O . HOH J 5 . ? -41.368 -18.619 -19.747 1.00 68.19 ? 613 HOH A O 1 HETATM 1782 O O . HOH J 5 . ? -32.190 -12.327 -21.558 1.00 42.18 ? 614 HOH A O 1 HETATM 1783 O O . HOH J 5 . ? -24.019 -7.908 -16.369 1.00 39.38 ? 615 HOH A O 1 HETATM 1784 O O . HOH J 5 . ? -4.072 -10.145 -16.135 1.00 57.49 ? 616 HOH A O 1 HETATM 1785 O O . HOH J 5 . ? 0.250 -1.814 -10.766 1.00 50.31 ? 617 HOH A O 1 HETATM 1786 O O . HOH J 5 . ? -40.290 -15.441 1.353 1.00 67.48 ? 618 HOH A O 1 HETATM 1787 O O . HOH J 5 . ? -39.018 -7.852 5.223 1.00 73.76 ? 619 HOH A O 1 HETATM 1788 O O . HOH J 5 . ? -6.309 0.085 -21.087 1.00 38.26 ? 620 HOH A O 1 HETATM 1789 O O . HOH J 5 . ? -13.843 -6.352 -11.027 1.00 25.72 ? 621 HOH A O 1 HETATM 1790 O O . HOH J 5 . ? -16.876 0.212 -13.124 1.00 34.81 ? 622 HOH A O 1 HETATM 1791 O O . HOH J 5 . ? -0.813 -12.620 -0.630 1.00 42.13 ? 623 HOH A O 1 HETATM 1792 O O . HOH J 5 . ? -9.811 15.077 0.305 1.00 38.22 ? 624 HOH A O 1 HETATM 1793 O O . HOH J 5 . ? -16.144 10.635 -9.437 1.00 56.87 ? 625 HOH A O 1 HETATM 1794 O O . HOH J 5 . ? -5.578 5.632 -17.164 1.00 57.96 ? 626 HOH A O 1 HETATM 1795 O O . HOH J 5 . ? -54.561 -4.015 -5.770 1.00 48.01 ? 627 HOH A O 1 HETATM 1796 O O . HOH J 5 . ? -1.104 7.837 4.191 1.00 42.10 ? 628 HOH A O 1 HETATM 1797 O O . HOH J 5 . ? -8.058 0.733 1.944 1.00 32.32 ? 629 HOH A O 1 HETATM 1798 O O . HOH J 5 . ? -14.146 9.696 -19.722 1.00 50.86 ? 630 HOH A O 1 HETATM 1799 O O . HOH J 5 . ? -16.234 3.268 -23.751 1.00 47.64 ? 631 HOH A O 1 HETATM 1800 O O . HOH J 5 . ? -17.400 -4.924 -18.988 1.00 39.69 ? 632 HOH A O 1 HETATM 1801 O O . HOH J 5 . ? -9.615 -16.698 -17.283 1.00 61.71 ? 633 HOH A O 1 HETATM 1802 O O . HOH J 5 . ? -20.082 -14.601 -16.642 1.00 62.30 ? 634 HOH A O 1 HETATM 1803 O O . HOH J 5 . ? -23.260 -20.013 -15.302 1.00 60.79 ? 635 HOH A O 1 HETATM 1804 O O . HOH J 5 . ? -26.457 -21.243 -20.080 1.00 69.28 ? 636 HOH A O 1 HETATM 1805 O O . HOH J 5 . ? -20.145 -20.865 -11.741 1.00 65.24 ? 637 HOH A O 1 HETATM 1806 O O . HOH J 5 . ? -22.160 -5.414 -12.337 1.00 39.99 ? 638 HOH A O 1 HETATM 1807 O O . HOH J 5 . ? -33.018 -6.094 -19.927 1.00 38.45 ? 639 HOH A O 1 HETATM 1808 O O . HOH J 5 . ? -10.445 -9.601 -21.902 1.00 42.77 ? 640 HOH A O 1 HETATM 1809 O O . HOH J 5 . ? -25.505 -10.847 -19.021 1.00 34.82 ? 641 HOH A O 1 HETATM 1810 O O . HOH J 5 . ? -27.244 -1.661 -12.313 1.00 49.09 ? 642 HOH A O 1 HETATM 1811 O O . HOH J 5 . ? -22.015 -6.257 -14.931 1.00 46.73 ? 643 HOH A O 1 HETATM 1812 O O . HOH J 5 . ? -20.183 1.152 -8.123 1.00 50.96 ? 644 HOH A O 1 HETATM 1813 O O . HOH J 5 . ? -14.123 -5.982 0.796 1.00 50.25 ? 645 HOH A O 1 HETATM 1814 O O . HOH J 5 . ? -25.085 -1.942 0.329 1.00 43.71 ? 646 HOH A O 1 HETATM 1815 O O . HOH J 5 . ? -53.646 -9.330 -11.225 1.00 42.65 ? 647 HOH A O 1 HETATM 1816 O O . HOH J 5 . ? -51.592 -10.808 -12.858 1.00 44.39 ? 648 HOH A O 1 HETATM 1817 O O . HOH J 5 . ? -49.340 -14.855 -12.684 1.00 50.80 ? 649 HOH A O 1 HETATM 1818 O O . HOH J 5 . ? -43.064 -15.914 -12.837 1.00 39.91 ? 650 HOH A O 1 HETATM 1819 O O . HOH J 5 . ? -43.328 -12.568 -6.646 1.00 38.32 ? 651 HOH A O 1 HETATM 1820 O O . HOH J 5 . ? -35.679 0.213 -8.034 1.00 62.62 ? 652 HOH A O 1 HETATM 1821 O O . HOH J 5 . ? -52.185 7.482 -20.948 1.00 67.36 ? 653 HOH A O 1 HETATM 1822 O O . HOH J 5 . ? -42.790 -7.547 -23.358 1.00 42.88 ? 654 HOH A O 1 HETATM 1823 O O . HOH J 5 . ? -40.220 -7.678 -22.200 1.00 34.13 ? 655 HOH A O 1 HETATM 1824 O O . HOH J 5 . ? -38.984 -9.691 -23.558 1.00 37.46 ? 656 HOH A O 1 HETATM 1825 O O . HOH J 5 . ? -45.534 -13.249 -23.607 1.00 39.27 ? 657 HOH A O 1 HETATM 1826 O O . HOH J 5 . ? -43.202 -14.543 -23.732 1.00 42.57 ? 658 HOH A O 1 HETATM 1827 O O . HOH J 5 . ? -37.154 -12.084 -23.131 1.00 48.22 ? 659 HOH A O 1 HETATM 1828 O O . HOH J 5 . ? -38.913 -14.626 -22.450 1.00 41.98 ? 660 HOH A O 1 HETATM 1829 O O . HOH J 5 . ? -14.880 -11.533 -17.073 1.00 37.78 ? 661 HOH A O 1 HETATM 1830 O O . HOH J 5 . ? -1.961 -8.466 -8.099 1.00 45.20 ? 662 HOH A O 1 HETATM 1831 O O . HOH J 5 . ? -18.921 -1.447 -15.184 1.00 52.67 ? 663 HOH A O 1 HETATM 1832 O O . HOH J 5 . ? -14.219 4.045 -9.759 1.00 42.52 ? 664 HOH A O 1 HETATM 1833 O O . HOH J 5 . ? -9.110 4.294 -0.111 1.00 41.63 ? 665 HOH A O 1 HETATM 1834 O O . HOH J 5 . ? -12.186 7.936 -0.657 1.00 38.48 ? 666 HOH A O 1 HETATM 1835 O O . HOH J 5 . ? -12.016 13.594 3.064 1.00 55.34 ? 667 HOH A O 1 HETATM 1836 O O . HOH J 5 . ? -12.626 15.928 2.200 1.00 56.46 ? 668 HOH A O 1 HETATM 1837 O O . HOH J 5 . ? -10.429 16.233 -7.877 1.00 42.54 ? 669 HOH A O 1 HETATM 1838 O O . HOH J 5 . ? -14.403 7.030 -25.292 1.00 51.29 ? 670 HOH A O 1 HETATM 1839 O O . HOH J 5 . ? 3.447 14.791 -0.012 1.00 41.41 ? 671 HOH A O 1 HETATM 1840 O O . HOH J 5 . ? -7.265 18.953 1.257 1.00 40.49 ? 672 HOH A O 1 HETATM 1841 O O . HOH J 5 . ? 3.190 2.614 -4.021 1.00 46.75 ? 673 HOH A O 1 HETATM 1842 O O . HOH J 5 . ? -44.729 -3.010 -22.305 1.00 50.11 ? 674 HOH A O 1 HETATM 1843 O O . HOH J 5 . ? -50.793 -5.900 -16.445 1.00 48.94 ? 675 HOH A O 1 HETATM 1844 O O . HOH J 5 . ? -55.069 -5.616 -17.878 1.00 61.97 ? 676 HOH A O 1 HETATM 1845 O O . HOH J 5 . ? -56.406 -1.047 -16.368 1.00 60.70 ? 677 HOH A O 1 HETATM 1846 O O . HOH J 5 . ? -32.311 -11.761 -1.930 1.00 48.77 ? 678 HOH A O 1 HETATM 1847 O O . HOH J 5 . ? -40.271 -11.459 -5.531 1.00 44.61 ? 679 HOH A O 1 HETATM 1848 O O . HOH J 5 . ? -18.441 -7.335 -11.157 1.00 59.17 ? 680 HOH A O 1 HETATM 1849 O O . HOH J 5 . ? -13.845 6.390 -7.907 1.00 52.91 ? 681 HOH A O 1 HETATM 1850 O O . HOH J 5 . ? -24.431 -10.699 -0.974 1.00 39.92 ? 682 HOH A O 1 HETATM 1851 O O . HOH J 5 . ? -36.802 -0.143 -16.373 1.00 41.11 ? 683 HOH A O 1 HETATM 1852 O O . HOH J 5 . ? -1.952 22.082 5.403 1.00 44.75 ? 684 HOH A O 1 HETATM 1853 O O . HOH J 5 . ? -10.385 -12.749 -11.940 1.00 42.91 ? 685 HOH A O 1 HETATM 1854 O O . HOH J 5 . ? -1.787 5.596 2.793 1.00 39.23 ? 686 HOH A O 1 HETATM 1855 O O . HOH J 5 . ? -41.198 -9.682 -0.838 1.00 49.51 ? 687 HOH A O 1 HETATM 1856 O O . HOH J 5 . ? -19.742 -7.520 -15.390 1.00 42.04 ? 688 HOH A O 1 HETATM 1857 O O . HOH J 5 . ? -1.214 14.735 -10.878 1.00 52.08 ? 689 HOH A O 1 HETATM 1858 O O . HOH J 5 . ? -11.526 -13.493 -23.742 1.00 50.36 ? 690 HOH A O 1 HETATM 1859 O O . HOH J 5 . ? -9.967 -6.883 -22.291 1.00 50.80 ? 691 HOH A O 1 HETATM 1860 O O . HOH J 5 . ? -34.762 -25.548 -7.362 1.00 59.03 ? 692 HOH A O 1 HETATM 1861 O O . HOH J 5 . ? -36.144 -15.095 -23.157 1.00 50.58 ? 693 HOH A O 1 HETATM 1862 O O . HOH J 5 . ? -9.800 11.904 -13.282 1.00 53.95 ? 694 HOH A O 1 HETATM 1863 O O . HOH J 5 . ? -20.018 4.951 -2.857 1.00 60.70 ? 695 HOH A O 1 HETATM 1864 O O . HOH J 5 . ? -22.744 -3.287 6.014 1.00 43.52 ? 696 HOH A O 1 HETATM 1865 O O . HOH J 5 . ? -22.383 -3.188 -13.932 1.00 60.84 ? 697 HOH A O 1 HETATM 1866 O O . HOH J 5 . ? -42.742 -15.799 -6.265 1.00 56.70 ? 698 HOH A O 1 HETATM 1867 O O . HOH J 5 . ? -28.643 0.928 -16.663 1.00 56.86 ? 699 HOH A O 1 HETATM 1868 O O . HOH J 5 . ? -6.668 -13.232 -5.823 1.00 51.16 ? 700 HOH A O 1 HETATM 1869 O O . HOH J 5 . ? -8.600 21.348 -1.464 1.00 62.23 ? 701 HOH A O 1 HETATM 1870 O O . HOH J 5 . ? -6.952 1.700 5.369 1.00 59.64 ? 702 HOH A O 1 HETATM 1871 O O . HOH J 5 . ? -7.679 -12.386 -8.477 1.00 45.37 ? 703 HOH A O 1 HETATM 1872 O O . HOH J 5 . ? -31.880 -3.001 -20.530 1.00 56.22 ? 704 HOH A O 1 HETATM 1873 O O . HOH J 5 . ? -39.209 -17.322 -22.901 1.00 64.45 ? 705 HOH A O 1 HETATM 1874 O O . HOH J 5 . ? 14.031 15.698 -0.047 1.00 60.48 ? 706 HOH A O 1 HETATM 1875 O O . HOH J 5 . ? -16.395 2.709 -12.116 1.00 55.07 ? 707 HOH A O 1 HETATM 1876 O O . HOH J 5 . ? -27.386 -2.535 -2.500 1.00 52.08 ? 708 HOH A O 1 HETATM 1877 O O . HOH J 5 . ? -50.927 -13.049 -11.532 1.00 71.64 ? 709 HOH A O 1 HETATM 1878 O O . HOH J 5 . ? -15.706 -15.635 -7.002 1.00 61.92 ? 710 HOH A O 1 HETATM 1879 O O . HOH J 5 . ? -17.632 2.162 -18.921 1.00 67.61 ? 711 HOH A O 1 HETATM 1880 O O . HOH J 5 . ? -40.439 -0.435 -6.761 1.00 54.06 ? 712 HOH A O 1 HETATM 1881 O O . HOH J 5 . ? -55.988 6.794 -14.563 1.00 66.04 ? 713 HOH A O 1 HETATM 1882 O O . HOH J 5 . ? -7.893 20.152 3.603 1.00 55.15 ? 714 HOH A O 1 HETATM 1883 O O . HOH J 5 . ? -36.789 1.595 -25.441 1.00 67.24 ? 715 HOH A O 1 HETATM 1884 O O . HOH J 5 . ? 7.162 14.837 -6.892 1.00 56.69 ? 716 HOH A O 1 HETATM 1885 O O . HOH J 5 . ? -44.981 -20.784 -8.518 1.00 66.31 ? 717 HOH A O 1 HETATM 1886 O O . HOH J 5 . ? -16.016 -10.979 -24.478 1.00 58.58 ? 718 HOH A O 1 HETATM 1887 O O . HOH J 5 . ? -13.466 4.560 -26.171 1.00 51.72 ? 719 HOH A O 1 HETATM 1888 O O . HOH J 5 . ? -19.266 -9.934 -6.524 1.00 50.44 ? 720 HOH A O 1 HETATM 1889 O O . HOH J 5 . ? -28.436 -15.308 -5.037 1.00 60.35 ? 721 HOH A O 1 HETATM 1890 O O . HOH J 5 . ? -3.230 25.288 0.635 1.00 61.07 ? 722 HOH A O 1 HETATM 1891 O O . HOH J 5 . ? -9.638 5.036 9.966 1.00 66.32 ? 723 HOH A O 1 HETATM 1892 O O . HOH J 5 . ? -32.489 -2.110 -7.069 1.00 45.79 ? 724 HOH A O 1 HETATM 1893 O O . HOH J 5 . ? -15.435 5.372 -12.569 1.00 45.32 ? 725 HOH A O 1 HETATM 1894 O O . HOH J 5 . ? -16.788 -21.491 -9.799 1.00 57.19 ? 726 HOH A O 1 HETATM 1895 O O . HOH J 5 . ? -27.086 -1.007 -15.306 1.00 50.25 ? 727 HOH A O 1 HETATM 1896 O O . HOH J 5 . ? -25.476 2.208 -1.540 1.00 61.97 ? 728 HOH A O 1 HETATM 1897 O O . HOH J 5 . ? -18.286 1.159 -27.500 1.00 53.96 ? 729 HOH A O 1 HETATM 1898 O O . HOH J 5 . ? -24.414 -0.196 -1.502 1.00 53.32 ? 730 HOH A O 1 HETATM 1899 O O . HOH J 5 . ? -35.342 -6.527 -21.814 1.00 48.96 ? 731 HOH A O 1 HETATM 1900 O O . HOH J 5 . ? -1.559 -4.176 -10.724 1.00 53.24 ? 732 HOH A O 1 HETATM 1901 O O . HOH J 5 . ? -30.152 -9.912 1.255 1.00 64.20 ? 733 HOH A O 1 HETATM 1902 O O . HOH J 5 . ? -50.521 -14.947 -15.067 1.00 66.85 ? 734 HOH A O 1 HETATM 1903 O O . HOH J 5 . ? -3.291 -13.954 -7.423 1.00 59.50 ? 735 HOH A O 1 HETATM 1904 O O . HOH J 5 . ? -29.658 -11.450 -21.957 1.00 64.14 ? 736 HOH A O 1 HETATM 1905 O O . HOH J 5 . ? -26.354 -14.765 -19.248 1.00 61.41 ? 737 HOH A O 1 HETATM 1906 O O . HOH J 5 . ? -26.422 -12.786 -20.349 1.00 65.53 ? 738 HOH A O 1 HETATM 1907 O O . HOH J 5 . ? -14.371 -5.473 -24.354 1.00 51.71 ? 739 HOH A O 1 HETATM 1908 O O . HOH J 5 . ? 9.277 13.383 -3.952 1.00 67.73 ? 740 HOH A O 1 HETATM 1909 O O . HOH J 5 . ? -37.084 -8.285 -25.197 1.00 55.23 ? 741 HOH A O 1 HETATM 1910 O O . HOH J 5 . ? -21.266 -19.861 -2.976 1.00 53.42 ? 742 HOH A O 1 HETATM 1911 O O . HOH J 5 . ? -12.047 -5.936 -2.895 1.00 51.70 ? 743 HOH A O 1 HETATM 1912 O O . HOH J 5 . ? -28.682 -2.560 -7.636 1.00 51.28 ? 744 HOH A O 1 HETATM 1913 O O . HOH J 5 . ? -38.458 -5.764 -22.637 1.00 48.15 ? 745 HOH A O 1 HETATM 1914 O O . HOH J 5 . ? -38.135 -17.882 -7.141 1.00 50.36 ? 746 HOH A O 1 HETATM 1915 O O . HOH J 5 . ? -27.136 -22.626 -8.348 1.00 54.00 ? 747 HOH A O 1 HETATM 1916 O O . HOH J 5 . ? -38.202 15.658 -24.563 1.00 67.66 ? 748 HOH A O 1 HETATM 1917 O O . HOH J 5 . ? -24.019 -1.241 -12.586 1.00 56.52 ? 749 HOH A O 1 HETATM 1918 O O . HOH J 5 . ? -24.056 -0.449 2.264 1.00 63.68 ? 750 HOH A O 1 HETATM 1919 O O . HOH J 5 . ? 0.722 -2.159 -4.008 1.00 58.49 ? 751 HOH A O 1 HETATM 1920 O O . HOH J 5 . ? 4.895 7.536 -1.240 1.00 49.64 ? 752 HOH A O 1 HETATM 1921 O O . HOH J 5 . ? -0.363 29.040 -4.371 1.00 56.72 ? 753 HOH A O 1 HETATM 1922 O O . HOH J 5 . ? -38.536 -3.834 -24.636 1.00 48.14 ? 754 HOH A O 1 HETATM 1923 O O . HOH J 5 . ? -36.478 5.852 -18.113 1.00 62.94 ? 755 HOH A O 1 HETATM 1924 O O . HOH J 5 . ? -18.242 -0.387 6.020 1.00 61.04 ? 756 HOH A O 1 HETATM 1925 O O . HOH J 5 . ? -53.346 -12.243 -21.512 1.00 62.29 ? 757 HOH A O 1 HETATM 1926 O O . HOH J 5 . ? -34.130 -11.427 -23.682 1.00 74.21 ? 758 HOH A O 1 HETATM 1927 O O . HOH J 5 . ? -57.313 -12.050 -17.676 1.00 61.16 ? 759 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 ASN 1 235 ? ? ? A . n A 1 2 GLY 2 236 236 GLY GLY A . n A 1 3 GLY 3 237 237 GLY GLY A . n A 1 4 PRO 4 238 238 PRO PRO A . n A 1 5 SER 5 239 239 SER SER A . n A 1 6 VAL 6 240 240 VAL VAL A . n A 1 7 PHE 7 241 241 PHE PHE A . n A 1 8 LEU 8 242 242 LEU LEU A . n A 1 9 PHE 9 243 243 PHE PHE A . n A 1 10 PRO 10 244 244 PRO PRO A . n A 1 11 PRO 11 245 245 PRO PRO A . n A 1 12 LYS 12 246 246 LYS LYS A . n A 1 13 PRO 13 247 247 PRO PRO A . n A 1 14 LYS 14 248 248 LYS LYS A . n A 1 15 ASP 15 249 249 ASP ASP A . n A 1 16 THR 16 250 250 THR THR A . n A 1 17 LEU 17 251 251 LEU LEU A . n A 1 18 MET 18 252 252 MET MET A . n A 1 19 ILE 19 253 253 ILE ILE A . n A 1 20 SER 20 254 254 SER SER A . n A 1 21 ARG 21 255 255 ARG ARG A . n A 1 22 THR 22 256 256 THR THR A . n A 1 23 PRO 23 257 257 PRO PRO A . n A 1 24 GLU 24 258 258 GLU GLU A . n A 1 25 VAL 25 259 259 VAL VAL A . n A 1 26 THR 26 260 260 THR THR A . n A 1 27 CYS 27 261 261 CYS CYS A . n A 1 28 VAL 28 262 262 VAL VAL A . n A 1 29 VAL 29 263 263 VAL VAL A . n A 1 30 VAL 30 264 264 VAL VAL A . n A 1 31 ASP 31 265 265 ASP ASP A . n A 1 32 VAL 32 266 266 VAL VAL A . n A 1 33 SER 33 267 267 SER SER A . n A 1 34 HIS 34 268 268 HIS HIS A . n A 1 35 GLU 35 269 269 GLU GLU A . n A 1 36 ASP 36 270 270 ASP ASP A . n A 1 37 PRO 37 271 271 PRO PRO A . n A 1 38 GLU 38 272 272 GLU GLU A . n A 1 39 VAL 39 273 273 VAL VAL A . n A 1 40 LYS 40 274 274 LYS LYS A . n A 1 41 PHE 41 275 275 PHE PHE A . n A 1 42 ASN 42 276 276 ASN ASN A . n A 1 43 TRP 43 277 277 TRP TRP A . n A 1 44 TYR 44 278 278 TYR TYR A . n A 1 45 VAL 45 279 279 VAL VAL A . n A 1 46 ASP 46 280 280 ASP ASP A . n A 1 47 GLY 47 281 281 GLY GLY A . n A 1 48 VAL 48 282 282 VAL VAL A . n A 1 49 GLU 49 283 283 GLU GLU A . n A 1 50 VAL 50 284 284 VAL VAL A . n A 1 51 HIS 51 285 285 HIS HIS A . n A 1 52 ASN 52 286 286 ASN ASN A . n A 1 53 ALA 53 287 287 ALA ALA A . n A 1 54 LYS 54 288 288 LYS LYS A . n A 1 55 THR 55 289 289 THR THR A . n A 1 56 LYS 56 290 290 LYS LYS A . n A 1 57 PRO 57 291 291 PRO PRO A . n A 1 58 ARG 58 292 292 ARG ARG A . n A 1 59 GLU 59 293 293 GLU GLU A . n A 1 60 GLU 60 294 294 GLU GLU A . n A 1 61 GLN 61 295 295 GLN GLN A . n A 1 62 TYR 62 296 296 TYR TYR A . n A 1 63 ASN 63 297 297 ASN ASN A . n A 1 64 SER 64 298 298 SER SER A . n A 1 65 THR 65 299 299 THR THR A . n A 1 66 TYR 66 300 300 TYR TYR A . n A 1 67 ARG 67 301 301 ARG ARG A . n A 1 68 VAL 68 302 302 VAL VAL A . n A 1 69 VAL 69 303 303 VAL VAL A . n A 1 70 SER 70 304 304 SER SER A . n A 1 71 VAL 71 305 305 VAL VAL A . n A 1 72 LEU 72 306 306 LEU LEU A . n A 1 73 THR 73 307 307 THR THR A . n A 1 74 VAL 74 308 308 VAL VAL A . n A 1 75 LEU 75 309 309 LEU LEU A . n A 1 76 HIS 76 310 310 HIS HIS A . n A 1 77 GLN 77 311 311 GLN GLN A . n A 1 78 ASP 78 312 312 ASP ASP A . n A 1 79 TRP 79 313 313 TRP TRP A . n A 1 80 LEU 80 314 314 LEU LEU A . n A 1 81 ASN 81 315 315 ASN ASN A . n A 1 82 GLY 82 316 316 GLY GLY A . n A 1 83 LYS 83 317 317 LYS LYS A . n A 1 84 GLU 84 318 318 GLU GLU A . n A 1 85 TYR 85 319 319 TYR TYR A . n A 1 86 LYS 86 320 320 LYS LYS A . n A 1 87 CYS 87 321 321 CYS CYS A . n A 1 88 LYS 88 322 322 LYS LYS A . n A 1 89 VAL 89 323 323 VAL VAL A . n A 1 90 SER 90 324 324 SER SER A . n A 1 91 ASN 91 325 325 ASN ASN A . n A 1 92 LYS 92 326 326 LYS LYS A . n A 1 93 ALA 93 327 327 ALA ALA A . n A 1 94 LEU 94 328 328 LEU LEU A . n A 1 95 PRO 95 329 329 PRO PRO A . n A 1 96 ALA 96 330 330 ALA ALA A . n A 1 97 PRO 97 331 331 PRO PRO A . n A 1 98 ILE 98 332 332 ILE ILE A . n A 1 99 GLU 99 333 333 GLU GLU A . n A 1 100 LYS 100 334 334 LYS LYS A . n A 1 101 THR 101 335 335 THR THR A . n A 1 102 ILE 102 336 336 ILE ILE A . n A 1 103 SER 103 337 337 SER SER A . n A 1 104 LYS 104 338 338 LYS LYS A . n A 1 105 ALA 105 339 339 ALA ALA A . n A 1 106 LYS 106 340 340 LYS LYS A . n A 1 107 GLY 107 341 341 GLY GLY A . n A 1 108 GLN 108 342 342 GLN GLN A . n A 1 109 PRO 109 343 343 PRO PRO A . n A 1 110 ARG 110 344 344 ARG ARG A . n A 1 111 GLU 111 345 345 GLU GLU A . n A 1 112 PRO 112 346 346 PRO PRO A . n A 1 113 GLN 113 347 347 GLN GLN A . n A 1 114 VAL 114 348 348 VAL VAL A . n A 1 115 TYR 115 349 349 TYR TYR A . n A 1 116 THR 116 350 350 THR THR A . n A 1 117 LEU 117 351 351 LEU LEU A . n A 1 118 PRO 118 352 352 PRO PRO A . n A 1 119 PRO 119 353 353 PRO PRO A . n A 1 120 SER 120 354 354 SER SER A . n A 1 121 ARG 121 355 355 ARG ARG A . n A 1 122 GLU 122 356 356 GLU GLU A . n A 1 123 GLU 123 357 357 GLU GLU A . n A 1 124 MET 124 358 358 MET MET A . n A 1 125 THR 125 359 359 THR THR A . n A 1 126 LYS 126 360 360 LYS LYS A . n A 1 127 ASN 127 361 361 ASN ASN A . n A 1 128 GLN 128 362 362 GLN GLN A . n A 1 129 VAL 129 363 363 VAL VAL A . n A 1 130 ASN 130 364 364 ASN ASN A . n A 1 131 LEU 131 365 365 LEU LEU A . n A 1 132 THR 132 366 366 THR THR A . n A 1 133 CYS 133 367 367 CYS CYS A . n A 1 134 LEU 134 368 368 LEU LEU A . n A 1 135 VAL 135 369 369 VAL VAL A . n A 1 136 LYS 136 370 370 LYS LYS A . n A 1 137 GLY 137 371 371 GLY GLY A . n A 1 138 PHE 138 372 372 PHE PHE A . n A 1 139 TYR 139 373 373 TYR TYR A . n A 1 140 PRO 140 374 374 PRO PRO A . n A 1 141 SER 141 375 375 SER SER A . n A 1 142 ASP 142 376 376 ASP ASP A . n A 1 143 ILE 143 377 377 ILE ILE A . n A 1 144 ALA 144 378 378 ALA ALA A . n A 1 145 VAL 145 379 379 VAL VAL A . n A 1 146 GLU 146 380 380 GLU GLU A . n A 1 147 TRP 147 381 381 TRP TRP A . n A 1 148 GLU 148 382 382 GLU GLU A . n A 1 149 SER 149 383 383 SER SER A . n A 1 150 ASN 150 384 384 ASN ASN A . n A 1 151 GLY 151 385 385 GLY GLY A . n A 1 152 GLN 152 386 386 GLN GLN A . n A 1 153 PRO 153 387 387 PRO PRO A . n A 1 154 GLU 154 388 388 GLU GLU A . n A 1 155 ASN 155 389 389 ASN ASN A . n A 1 156 ASN 156 390 390 ASN ASN A . n A 1 157 TYR 157 391 391 TYR TYR A . n A 1 158 LYS 158 392 392 LYS LYS A . n A 1 159 THR 159 393 393 THR THR A . n A 1 160 THR 160 394 394 THR THR A . n A 1 161 PRO 161 395 395 PRO PRO A . n A 1 162 PRO 162 396 396 PRO PRO A . n A 1 163 VAL 163 397 397 VAL VAL A . n A 1 164 LEU 164 398 398 LEU LEU A . n A 1 165 ASP 165 399 399 ASP ASP A . n A 1 166 SER 166 400 400 SER SER A . n A 1 167 ASP 167 401 401 ASP ASP A . n A 1 168 GLY 168 402 402 GLY GLY A . n A 1 169 SER 169 403 403 SER SER A . n A 1 170 PHE 170 404 404 PHE PHE A . n A 1 171 PHE 171 405 405 PHE PHE A . n A 1 172 LEU 172 406 406 LEU LEU A . n A 1 173 ASN 173 407 407 ASN ASN A . n A 1 174 SER 174 408 408 SER SER A . n A 1 175 THR 175 409 409 THR THR A . n A 1 176 LEU 176 410 410 LEU LEU A . n A 1 177 THR 177 411 411 THR THR A . n A 1 178 VAL 178 412 412 VAL VAL A . n A 1 179 ASP 179 413 413 ASP ASP A . n A 1 180 LYS 180 414 414 LYS LYS A . n A 1 181 SER 181 415 415 SER SER A . n A 1 182 ARG 182 416 416 ARG ARG A . n A 1 183 TRP 183 417 417 TRP TRP A . n A 1 184 GLN 184 418 418 GLN GLN A . n A 1 185 GLN 185 419 419 GLN GLN A . n A 1 186 GLY 186 420 420 GLY GLY A . n A 1 187 ASN 187 421 421 ASN ASN A . n A 1 188 VAL 188 422 422 VAL VAL A . n A 1 189 PHE 189 423 423 PHE PHE A . n A 1 190 SER 190 424 424 SER SER A . n A 1 191 CYS 191 425 425 CYS CYS A . n A 1 192 SER 192 426 426 SER SER A . n A 1 193 VAL 193 427 427 VAL VAL A . n A 1 194 MET 194 428 428 MET MET A . n A 1 195 HIS 195 429 429 HIS HIS A . n A 1 196 GLU 196 430 430 GLU GLU A . n A 1 197 ALA 197 431 431 ALA ALA A . n A 1 198 LEU 198 432 432 LEU LEU A . n A 1 199 HIS 199 433 433 HIS HIS A . n A 1 200 ASN 200 434 434 ASN ASN A . n A 1 201 HIS 201 435 435 HIS HIS A . n A 1 202 TYR 202 436 436 TYR TYR A . n A 1 203 THR 203 437 437 THR THR A . n A 1 204 GLN 204 438 438 GLN GLN A . n A 1 205 LYS 205 439 439 LYS LYS A . n A 1 206 SER 206 440 440 SER SER A . n A 1 207 LEU 207 441 441 LEU LEU A . n A 1 208 SER 208 442 442 SER SER A . n A 1 209 LEU 209 443 443 LEU LEU A . n A 1 210 SER 210 444 444 SER SER 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 1 NAG NAG A . C 2 NAG 2 502 2 NAG NAG A . D 3 BMA 3 503 3 BMA BMA A . E 4 MAN 4 504 4 MAN MAN A . F 2 NAG 5 505 5 NAG NAG A . G 4 MAN 6 506 7 MAN MAN A . H 2 NAG 7 507 8 NAG NAG A . I 2 NAG 1 508 1 NAG NAG A . J 5 HOH 1 601 1 HOH HOH A . J 5 HOH 2 602 2 HOH HOH A . J 5 HOH 3 603 3 HOH HOH A . J 5 HOH 4 604 4 HOH HOH A . J 5 HOH 5 605 5 HOH HOH A . J 5 HOH 6 606 6 HOH HOH A . J 5 HOH 7 607 7 HOH HOH A . J 5 HOH 8 608 8 HOH HOH A . J 5 HOH 9 609 9 HOH HOH A . J 5 HOH 10 610 10 HOH HOH A . J 5 HOH 11 611 11 HOH HOH A . J 5 HOH 12 612 12 HOH HOH A . J 5 HOH 13 613 13 HOH HOH A . J 5 HOH 14 614 14 HOH HOH A . J 5 HOH 15 615 15 HOH HOH A . J 5 HOH 16 616 16 HOH HOH A . J 5 HOH 17 617 17 HOH HOH A . J 5 HOH 18 618 18 HOH HOH A . J 5 HOH 19 619 19 HOH HOH A . J 5 HOH 20 620 20 HOH HOH A . J 5 HOH 21 621 21 HOH HOH A . J 5 HOH 22 622 22 HOH HOH A . J 5 HOH 23 623 23 HOH HOH A . J 5 HOH 24 624 24 HOH HOH A . J 5 HOH 25 625 25 HOH HOH A . J 5 HOH 26 626 26 HOH HOH A . J 5 HOH 27 627 27 HOH HOH A . J 5 HOH 28 628 28 HOH HOH A . J 5 HOH 29 629 29 HOH HOH A . J 5 HOH 30 630 30 HOH HOH A . J 5 HOH 31 631 31 HOH HOH A . J 5 HOH 32 632 32 HOH HOH A . J 5 HOH 33 633 33 HOH HOH A . J 5 HOH 34 634 34 HOH HOH A . J 5 HOH 35 635 35 HOH HOH A . J 5 HOH 36 636 36 HOH HOH A . J 5 HOH 37 637 37 HOH HOH A . J 5 HOH 38 638 38 HOH HOH A . J 5 HOH 39 639 39 HOH HOH A . J 5 HOH 40 640 40 HOH HOH A . J 5 HOH 41 641 41 HOH HOH A . J 5 HOH 42 642 42 HOH HOH A . J 5 HOH 43 643 43 HOH HOH A . J 5 HOH 44 644 44 HOH HOH A . J 5 HOH 45 645 45 HOH HOH A . J 5 HOH 46 646 46 HOH HOH A . J 5 HOH 47 647 47 HOH HOH A . J 5 HOH 48 648 48 HOH HOH A . J 5 HOH 49 649 49 HOH HOH A . J 5 HOH 50 650 50 HOH HOH A . J 5 HOH 51 651 51 HOH HOH A . J 5 HOH 52 652 52 HOH HOH A . J 5 HOH 53 653 53 HOH HOH A . J 5 HOH 54 654 54 HOH HOH A . J 5 HOH 55 655 55 HOH HOH A . J 5 HOH 56 656 56 HOH HOH A . J 5 HOH 57 657 57 HOH HOH A . J 5 HOH 58 658 58 HOH HOH A . J 5 HOH 59 659 59 HOH HOH A . J 5 HOH 60 660 60 HOH HOH A . J 5 HOH 61 661 61 HOH HOH A . J 5 HOH 62 662 62 HOH HOH A . J 5 HOH 63 663 63 HOH HOH A . J 5 HOH 64 664 64 HOH HOH A . J 5 HOH 65 665 65 HOH HOH A . J 5 HOH 66 666 66 HOH HOH A . J 5 HOH 67 667 67 HOH HOH A . J 5 HOH 68 668 68 HOH HOH A . J 5 HOH 69 669 69 HOH HOH A . J 5 HOH 70 670 70 HOH HOH A . J 5 HOH 71 671 71 HOH HOH A . J 5 HOH 72 672 72 HOH HOH A . J 5 HOH 73 673 73 HOH HOH A . J 5 HOH 74 674 74 HOH HOH A . J 5 HOH 75 675 75 HOH HOH A . J 5 HOH 76 676 76 HOH HOH A . J 5 HOH 77 677 77 HOH HOH A . J 5 HOH 78 678 78 HOH HOH A . J 5 HOH 79 679 79 HOH HOH A . J 5 HOH 80 680 80 HOH HOH A . J 5 HOH 81 681 81 HOH HOH A . J 5 HOH 82 682 82 HOH HOH A . J 5 HOH 83 683 83 HOH HOH A . J 5 HOH 84 684 84 HOH HOH A . J 5 HOH 85 685 85 HOH HOH A . J 5 HOH 86 686 86 HOH HOH A . J 5 HOH 87 687 87 HOH HOH A . J 5 HOH 88 688 88 HOH HOH A . J 5 HOH 89 689 89 HOH HOH A . J 5 HOH 90 690 90 HOH HOH A . J 5 HOH 91 691 91 HOH HOH A . J 5 HOH 92 692 92 HOH HOH A . J 5 HOH 93 693 93 HOH HOH A . J 5 HOH 94 694 94 HOH HOH A . J 5 HOH 95 695 95 HOH HOH A . J 5 HOH 96 696 96 HOH HOH A . J 5 HOH 97 697 97 HOH HOH A . J 5 HOH 98 698 98 HOH HOH A . J 5 HOH 99 699 99 HOH HOH A . J 5 HOH 100 700 100 HOH HOH A . J 5 HOH 101 701 101 HOH HOH A . J 5 HOH 102 702 102 HOH HOH A . J 5 HOH 103 703 103 HOH HOH A . J 5 HOH 104 704 104 HOH HOH A . J 5 HOH 105 705 105 HOH HOH A . J 5 HOH 106 706 106 HOH HOH A . J 5 HOH 107 707 107 HOH HOH A . J 5 HOH 108 708 108 HOH HOH A . J 5 HOH 109 709 109 HOH HOH A . J 5 HOH 110 710 110 HOH HOH A . J 5 HOH 111 711 111 HOH HOH A . J 5 HOH 112 712 112 HOH HOH A . J 5 HOH 113 713 113 HOH HOH A . J 5 HOH 114 714 114 HOH HOH A . J 5 HOH 115 715 115 HOH HOH A . J 5 HOH 116 716 116 HOH HOH A . J 5 HOH 117 717 117 HOH HOH A . J 5 HOH 118 718 118 HOH HOH A . J 5 HOH 119 719 119 HOH HOH A . J 5 HOH 120 720 120 HOH HOH A . J 5 HOH 121 721 121 HOH HOH A . J 5 HOH 122 722 122 HOH HOH A . J 5 HOH 123 723 123 HOH HOH A . J 5 HOH 124 724 124 HOH HOH A . J 5 HOH 125 725 125 HOH HOH A . J 5 HOH 126 726 126 HOH HOH A . J 5 HOH 127 727 127 HOH HOH A . J 5 HOH 128 728 128 HOH HOH A . J 5 HOH 129 729 129 HOH HOH A . J 5 HOH 130 730 130 HOH HOH A . J 5 HOH 131 731 131 HOH HOH A . J 5 HOH 132 732 132 HOH HOH A . J 5 HOH 133 733 133 HOH HOH A . J 5 HOH 134 734 134 HOH HOH A . J 5 HOH 135 735 135 HOH HOH A . J 5 HOH 136 736 136 HOH HOH A . J 5 HOH 137 737 137 HOH HOH A . J 5 HOH 138 738 138 HOH HOH A . J 5 HOH 139 739 139 HOH HOH A . J 5 HOH 140 740 140 HOH HOH A . J 5 HOH 141 741 141 HOH HOH A . J 5 HOH 142 742 142 HOH HOH A . J 5 HOH 143 743 143 HOH HOH A . J 5 HOH 144 744 144 HOH HOH A . J 5 HOH 145 745 145 HOH HOH A . J 5 HOH 146 746 146 HOH HOH A . J 5 HOH 147 747 147 HOH HOH A . J 5 HOH 148 748 148 HOH HOH A . J 5 HOH 149 749 149 HOH HOH A . J 5 HOH 150 750 150 HOH HOH A . J 5 HOH 151 751 151 HOH HOH A . J 5 HOH 152 752 152 HOH HOH A . J 5 HOH 153 753 153 HOH HOH A . J 5 HOH 154 754 154 HOH HOH A . J 5 HOH 155 755 155 HOH HOH A . J 5 HOH 156 756 156 HOH HOH A . J 5 HOH 157 757 157 HOH HOH A . J 5 HOH 158 758 158 HOH HOH A . J 5 HOH 159 759 159 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 130 A ASN 364 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 63 A ASN 297 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,E,F,G,H,I,J 2 1,2 A,B,C,D,E,F,G,H,I,J # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 2 'ABSA (A^2)' 7200 ? 2 MORE 54 ? 2 'SSA (A^2)' 22780 ? # 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' 6_555 x,x-y,-z 0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-05-01 2 'Structure model' 1 1 2013-07-24 3 'Structure model' 1 2 2018-01-24 4 'Structure model' 1 3 2018-06-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Structure summary' 3 4 'Structure model' 'Data collection' 4 4 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' audit_author 2 4 'Structure model' citation 3 4 'Structure model' diffrn_radiation # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_audit_author.name' 2 4 'Structure model' '_diffrn_radiation.pdbx_diffrn_protocol' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal _software.date _software.type _software.location _software.language HKL-2000 'data collection' . ? 1 ? ? ? ? PHASES phasing . ? 2 ? ? ? ? BUSTER refinement 2.11.1 ? 3 ? ? ? ? HKL-2000 'data reduction' . ? 4 ? ? ? ? HKL-2000 'data scaling' . ? 5 ? ? ? ? # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 NH2 _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 ARG _pdbx_validate_symm_contact.auth_seq_id_1 292 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 OD1 _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 ASN _pdbx_validate_symm_contact.auth_seq_id_2 421 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 6_455 _pdbx_validate_symm_contact.dist 2.10 # 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 LYS A 360 ? ? -69.84 -176.20 2 1 HIS A 435 ? ? 58.10 18.80 # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id ASN _pdbx_unobs_or_zero_occ_residues.auth_seq_id 235 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id ASN _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 # 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 water HOH #