data_2PNN # _entry.id 2PNN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2PNN RCSB RCSB042577 WWPDB D_1000042577 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 2NYJ _pdbx_database_related.details 'The same protein in a different crystal form.' _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2PNN _pdbx_database_status.recvd_initial_deposition_date 2007-04-24 _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.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jin, X.' 1 'Gaudet, R.' 2 # _citation.id primary _citation.title 'The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.' _citation.journal_abbrev Neuron _citation.journal_volume 54 _citation.page_first 905 _citation.page_last 918 _citation.year 2007 _citation.journal_id_ASTM NERNET _citation.country US _citation.journal_id_ISSN 0896-6273 _citation.journal_id_CSD 2038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 17582331 _citation.pdbx_database_id_DOI 10.1016/j.neuron.2007.05.027 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lishko, P.V.' 1 primary 'Procko, E.' 2 primary 'Jin, X.' 3 primary 'Phelps, C.B.' 4 primary 'Gaudet, R.' 5 # _cell.entry_id 2PNN _cell.length_a 99.469 _cell.length_b 99.469 _cell.length_c 106.729 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 9 _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 2PNN _symmetry.space_group_name_H-M 'H 3' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 146 _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 'Transient receptor potential cation channel subfamily V member 1' 30439.248 1 ? ? 'Ankyrin Repeat Domain' ? 2 non-polymer syn "ADENOSINE-5'-TRIPHOSPHATE" 507.181 1 ? ? ? ? 3 water nat water 18.015 71 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'TrpV1, osm-9-like TRP channel 1, OTRPC1, Vanilloid receptor 1, Vanilloid receptor type 1-like, Capsaicin receptor' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;SVSAGEKPPRLYDRRSIFDAVAQSNCQELESLLPFLQRSKKRLTDSEFKDPETGKTCLLKA(MSE)LNLHNGQNDTIALL LDVARKTDSLKQFVNASYTDSYYKGQTALHIAIERRN(MSE)TLVTLLVENGADVQAAANGDFFKKTKGRPGFYFGELPL SLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVDNTKFVTS(MSE)YNEILILGAKLHPTLKLEEI TNRKGLTPLALAASSGKIGVLAYILQREIHEPECRHAAAHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;SVSAGEKPPRLYDRRSIFDAVAQSNCQELESLLPFLQRSKKRLTDSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDVA RKTDSLKQFVNASYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPGFYFGELPLSLAACTNQ LAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALA ASSGKIGVLAYILQREIHEPECRHAAAHHHHHH ; _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 SER n 1 2 VAL n 1 3 SER n 1 4 ALA n 1 5 GLY n 1 6 GLU n 1 7 LYS n 1 8 PRO n 1 9 PRO n 1 10 ARG n 1 11 LEU n 1 12 TYR n 1 13 ASP n 1 14 ARG n 1 15 ARG n 1 16 SER n 1 17 ILE n 1 18 PHE n 1 19 ASP n 1 20 ALA n 1 21 VAL n 1 22 ALA n 1 23 GLN n 1 24 SER n 1 25 ASN n 1 26 CYS n 1 27 GLN n 1 28 GLU n 1 29 LEU n 1 30 GLU n 1 31 SER n 1 32 LEU n 1 33 LEU n 1 34 PRO n 1 35 PHE n 1 36 LEU n 1 37 GLN n 1 38 ARG n 1 39 SER n 1 40 LYS n 1 41 LYS n 1 42 ARG n 1 43 LEU n 1 44 THR n 1 45 ASP n 1 46 SER n 1 47 GLU n 1 48 PHE n 1 49 LYS n 1 50 ASP n 1 51 PRO n 1 52 GLU n 1 53 THR n 1 54 GLY n 1 55 LYS n 1 56 THR n 1 57 CYS n 1 58 LEU n 1 59 LEU n 1 60 LYS n 1 61 ALA n 1 62 MSE n 1 63 LEU n 1 64 ASN n 1 65 LEU n 1 66 HIS n 1 67 ASN n 1 68 GLY n 1 69 GLN n 1 70 ASN n 1 71 ASP n 1 72 THR n 1 73 ILE n 1 74 ALA n 1 75 LEU n 1 76 LEU n 1 77 LEU n 1 78 ASP n 1 79 VAL n 1 80 ALA n 1 81 ARG n 1 82 LYS n 1 83 THR n 1 84 ASP n 1 85 SER n 1 86 LEU n 1 87 LYS n 1 88 GLN n 1 89 PHE n 1 90 VAL n 1 91 ASN n 1 92 ALA n 1 93 SER n 1 94 TYR n 1 95 THR n 1 96 ASP n 1 97 SER n 1 98 TYR n 1 99 TYR n 1 100 LYS n 1 101 GLY n 1 102 GLN n 1 103 THR n 1 104 ALA n 1 105 LEU n 1 106 HIS n 1 107 ILE n 1 108 ALA n 1 109 ILE n 1 110 GLU n 1 111 ARG n 1 112 ARG n 1 113 ASN n 1 114 MSE n 1 115 THR n 1 116 LEU n 1 117 VAL n 1 118 THR n 1 119 LEU n 1 120 LEU n 1 121 VAL n 1 122 GLU n 1 123 ASN n 1 124 GLY n 1 125 ALA n 1 126 ASP n 1 127 VAL n 1 128 GLN n 1 129 ALA n 1 130 ALA n 1 131 ALA n 1 132 ASN n 1 133 GLY n 1 134 ASP n 1 135 PHE n 1 136 PHE n 1 137 LYS n 1 138 LYS n 1 139 THR n 1 140 LYS n 1 141 GLY n 1 142 ARG n 1 143 PRO n 1 144 GLY n 1 145 PHE n 1 146 TYR n 1 147 PHE n 1 148 GLY n 1 149 GLU n 1 150 LEU n 1 151 PRO n 1 152 LEU n 1 153 SER n 1 154 LEU n 1 155 ALA n 1 156 ALA n 1 157 CYS n 1 158 THR n 1 159 ASN n 1 160 GLN n 1 161 LEU n 1 162 ALA n 1 163 ILE n 1 164 VAL n 1 165 LYS n 1 166 PHE n 1 167 LEU n 1 168 LEU n 1 169 GLN n 1 170 ASN n 1 171 SER n 1 172 TRP n 1 173 GLN n 1 174 PRO n 1 175 ALA n 1 176 ASP n 1 177 ILE n 1 178 SER n 1 179 ALA n 1 180 ARG n 1 181 ASP n 1 182 SER n 1 183 VAL n 1 184 GLY n 1 185 ASN n 1 186 THR n 1 187 VAL n 1 188 LEU n 1 189 HIS n 1 190 ALA n 1 191 LEU n 1 192 VAL n 1 193 GLU n 1 194 VAL n 1 195 ALA n 1 196 ASP n 1 197 ASN n 1 198 THR n 1 199 VAL n 1 200 ASP n 1 201 ASN n 1 202 THR n 1 203 LYS n 1 204 PHE n 1 205 VAL n 1 206 THR n 1 207 SER n 1 208 MSE n 1 209 TYR n 1 210 ASN n 1 211 GLU n 1 212 ILE n 1 213 LEU n 1 214 ILE n 1 215 LEU n 1 216 GLY n 1 217 ALA n 1 218 LYS n 1 219 LEU n 1 220 HIS n 1 221 PRO n 1 222 THR n 1 223 LEU n 1 224 LYS n 1 225 LEU n 1 226 GLU n 1 227 GLU n 1 228 ILE n 1 229 THR n 1 230 ASN n 1 231 ARG n 1 232 LYS n 1 233 GLY n 1 234 LEU n 1 235 THR n 1 236 PRO n 1 237 LEU n 1 238 ALA n 1 239 LEU n 1 240 ALA n 1 241 ALA n 1 242 SER n 1 243 SER n 1 244 GLY n 1 245 LYS n 1 246 ILE n 1 247 GLY n 1 248 VAL n 1 249 LEU n 1 250 ALA n 1 251 TYR n 1 252 ILE n 1 253 LEU n 1 254 GLN n 1 255 ARG n 1 256 GLU n 1 257 ILE n 1 258 HIS n 1 259 GLU n 1 260 PRO n 1 261 GLU n 1 262 CYS n 1 263 ARG n 1 264 HIS n 1 265 ALA n 1 266 ALA n 1 267 ALA n 1 268 HIS n 1 269 HIS n 1 270 HIS n 1 271 HIS n 1 272 HIS n 1 273 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'Norway rat' _entity_src_gen.gene_src_genus Rattus _entity_src_gen.pdbx_gene_src_gene 'Trpv1, Vr1, Vr1l' _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 'Rattus norvegicus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10116 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species 'Escherichia coli' _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21 (DE3)' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PET21A _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRPV1_RAT _struct_ref.pdbx_db_accession O35433 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;SVSAGEKPPRLYDRRSIFDAVAQSNCQELESLLPFLQRSKKRLTDSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDVA RKTDSLKQFVNASYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPGFYFGELPLSLAACTNQ LAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALA ASSGKIGVLAYILQREIHEPECRH ; _struct_ref.pdbx_align_begin 101 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2PNN _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 264 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession O35433 _struct_ref_seq.db_align_beg 101 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 364 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 101 _struct_ref_seq.pdbx_auth_seq_align_end 364 # 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 2PNN MSE A 62 ? UNP O35433 MET 162 'MODIFIED RESIDUE' 162 1 1 2PNN MSE A 114 ? UNP O35433 MET 214 'MODIFIED RESIDUE' 214 2 1 2PNN MSE A 208 ? UNP O35433 MET 308 'MODIFIED RESIDUE' 308 3 1 2PNN ALA A 265 ? UNP O35433 ? ? 'CLONING ARTIFACT' 365 4 1 2PNN ALA A 266 ? UNP O35433 ? ? 'CLONING ARTIFACT' 366 5 1 2PNN ALA A 267 ? UNP O35433 ? ? 'CLONING ARTIFACT' 367 6 1 2PNN HIS A 268 ? UNP O35433 ? ? 'CLONING ARTIFACT' 368 7 1 2PNN HIS A 269 ? UNP O35433 ? ? 'CLONING ARTIFACT' 369 8 1 2PNN HIS A 270 ? UNP O35433 ? ? 'CLONING ARTIFACT' 370 9 1 2PNN HIS A 271 ? UNP O35433 ? ? 'CLONING ARTIFACT' 371 10 1 2PNN HIS A 272 ? UNP O35433 ? ? 'CLONING ARTIFACT' 372 11 1 2PNN HIS A 273 ? UNP O35433 ? ? 'CLONING ARTIFACT' 373 12 # 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 ATP non-polymer . "ADENOSINE-5'-TRIPHOSPHATE" ? 'C10 H16 N5 O13 P3' 507.181 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 Se' 196.106 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 2PNN _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.34 _exptl_crystal.density_percent_sol 63.14 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.00 _exptl_crystal_grow.pdbx_details '3% PEG 8000, 0.1M SODIUM CITRATE, 5MM ATP, PH 5.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K, pH 5.00' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV' _diffrn_detector.pdbx_collection_date 2006-04-21 _diffrn_detector.details mirrors # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Osmic mirrors' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type RIGAKU _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 2PNN _reflns.observed_criterion_sigma_I 1.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 2.700 _reflns.number_obs 13575 _reflns.number_all ? _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs 0.107 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 24.9 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.5 _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 # _reflns_shell.d_res_high 2.70 _reflns_shell.d_res_low 2.80 _reflns_shell.percent_possible_all 99.7 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.56 _reflns_shell.meanI_over_sigI_obs 3.1 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2PNN _refine.ls_number_reflns_obs 9618 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.70 _refine.ls_percent_reflns_obs 93.7 _refine.ls_R_factor_obs 0.202 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.199 _refine.ls_R_factor_R_free 0.248 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.800 _refine.ls_number_reflns_R_free 488 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.948 _refine.correlation_coeff_Fo_to_Fc_free 0.920 _refine.B_iso_mean 37.68 _refine.aniso_B[1][1] 2.84000 _refine.aniso_B[2][2] 2.84000 _refine.aniso_B[3][3] -4.25000 _refine.aniso_B[1][2] 1.42000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.657 _refine.pdbx_overall_ESU_R_Free 0.320 _refine.overall_SU_ML 0.285 _refine.overall_SU_B 26.929 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1932 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 31 _refine_hist.number_atoms_solvent 71 _refine_hist.number_atoms_total 2034 _refine_hist.d_res_high 2.70 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.012 0.022 ? 1996 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.718 1.993 ? 2710 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.120 5.000 ? 247 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.913 24.767 ? 86 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 21.463 15.000 ? 354 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.581 15.000 ? 11 'X-RAY DIFFRACTION' ? r_chiral_restr 0.108 0.200 ? 319 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 1460 'X-RAY DIFFRACTION' ? r_nbd_refined 0.245 0.200 ? 1061 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.317 0.200 ? 1362 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.158 0.200 ? 83 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.243 0.200 ? 19 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.277 0.200 ? 1 'X-RAY DIFFRACTION' ? r_mcbond_it 0.391 1.500 ? 1260 'X-RAY DIFFRACTION' ? r_mcangle_it 0.709 2.000 ? 1985 'X-RAY DIFFRACTION' ? r_scbond_it 1.095 3.000 ? 819 'X-RAY DIFFRACTION' ? r_scangle_it 1.787 4.500 ? 725 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.70 _refine_ls_shell.d_res_low 2.77 _refine_ls_shell.number_reflns_R_work 644 _refine_ls_shell.R_factor_R_work 0.322 _refine_ls_shell.percent_reflns_obs 88.80 _refine_ls_shell.R_factor_R_free 0.425 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 38 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2PNN _struct.title 'Crystal Structure of the Ankyrin Repeat Domain of Trpv1' _struct.pdbx_descriptor 'Transient receptor potential cation channel subfamily V member 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2PNN _struct_keywords.pdbx_keywords 'TRANSPORT PROTEIN' _struct_keywords.text 'trpv1, ankyrin repeat domain, TRANSPORT PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? # _struct_biol.id 1 # 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 ASP A 13 ? GLN A 23 ? ASP A 113 GLN A 123 1 ? 11 HELX_P HELX_P2 2 SER A 31 ? SER A 39 ? SER A 131 SER A 139 1 ? 9 HELX_P HELX_P3 3 ASP A 45 ? LYS A 49 ? ASP A 145 LYS A 149 5 ? 5 HELX_P HELX_P4 4 THR A 56 ? ASN A 64 ? THR A 156 ASN A 164 1 ? 9 HELX_P HELX_P5 5 ASN A 70 ? THR A 83 ? ASN A 170 THR A 183 1 ? 14 HELX_P HELX_P6 6 SER A 85 ? ASN A 91 ? SER A 185 ASN A 191 1 ? 7 HELX_P HELX_P7 7 THR A 103 ? ARG A 111 ? THR A 203 ARG A 211 1 ? 9 HELX_P HELX_P8 8 ASN A 113 ? ASN A 123 ? ASN A 213 ASN A 223 1 ? 11 HELX_P HELX_P9 9 GLY A 133 ? LYS A 137 ? GLY A 233 LYS A 237 5 ? 5 HELX_P HELX_P10 10 LEU A 150 ? THR A 158 ? LEU A 250 THR A 258 1 ? 9 HELX_P HELX_P11 11 GLN A 160 ? ASN A 170 ? GLN A 260 ASN A 270 1 ? 11 HELX_P HELX_P12 12 THR A 186 ? ALA A 195 ? THR A 286 ALA A 295 1 ? 10 HELX_P HELX_P13 13 THR A 198 ? HIS A 220 ? THR A 298 HIS A 320 1 ? 23 HELX_P HELX_P14 14 LYS A 224 ? ILE A 228 ? LYS A 324 ILE A 328 5 ? 5 HELX_P HELX_P15 15 THR A 235 ? SER A 243 ? THR A 335 SER A 343 1 ? 9 HELX_P HELX_P16 16 LYS A 245 ? ILE A 257 ? LYS A 345 ILE A 357 1 ? 13 # _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 covale1 covale ? ? A ALA 61 C ? ? ? 1_555 A MSE 62 N ? ? A ALA 161 A MSE 162 1_555 ? ? ? ? ? ? ? 1.330 ? covale2 covale ? ? A MSE 62 C ? ? ? 1_555 A LEU 63 N ? ? A MSE 162 A LEU 163 1_555 ? ? ? ? ? ? ? 1.328 ? covale3 covale ? ? A ASN 113 C ? ? ? 1_555 A MSE 114 N ? ? A ASN 213 A MSE 214 1_555 ? ? ? ? ? ? ? 1.328 ? covale4 covale ? ? A MSE 114 C ? ? ? 1_555 A THR 115 N ? ? A MSE 214 A THR 215 1_555 ? ? ? ? ? ? ? 1.330 ? covale5 covale ? ? A SER 207 C ? ? ? 1_555 A MSE 208 N ? ? A SER 307 A MSE 308 1_555 ? ? ? ? ? ? ? 1.321 ? covale6 covale ? ? A MSE 208 C ? ? ? 1_555 A TYR 209 N ? ? A MSE 308 A TYR 309 1_555 ? ? ? ? ? ? ? 1.324 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 13 _struct_site.details 'BINDING SITE FOR RESIDUE ATP A 374' # 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 13 HOH C . ? HOH A 46 . ? 1_555 ? 2 AC1 13 HOH C . ? HOH A 71 . ? 1_555 ? 3 AC1 13 ARG A 15 ? ARG A 115 . ? 1_555 ? 4 AC1 13 LYS A 55 ? LYS A 155 . ? 1_555 ? 5 AC1 13 LYS A 60 ? LYS A 160 . ? 1_555 ? 6 AC1 13 LEU A 63 ? LEU A 163 . ? 1_555 ? 7 AC1 13 ASN A 64 ? ASN A 164 . ? 1_555 ? 8 AC1 13 TYR A 99 ? TYR A 199 . ? 1_555 ? 9 AC1 13 GLN A 102 ? GLN A 202 . ? 1_555 ? 10 AC1 13 GLU A 110 ? GLU A 210 . ? 1_555 ? 11 AC1 13 ARG A 111 ? ARG A 211 . ? 1_555 ? 12 AC1 13 GLN A 169 ? GLN A 269 . ? 8_544 ? 13 AC1 13 LYS A 218 ? LYS A 318 . ? 8_544 ? # _database_PDB_matrix.entry_id 2PNN _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 2PNN _atom_sites.fract_transf_matrix[1][1] 0.010053 _atom_sites.fract_transf_matrix[1][2] 0.005804 _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] 0.011609 _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] 0.009370 _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 P S SE # 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 . LEU A 1 11 ? 13.271 24.756 -20.805 1.00 38.59 ? 111 LEU A N 1 ATOM 2 C CA . LEU A 1 11 ? 12.943 23.318 -21.096 1.00 38.96 ? 111 LEU A CA 1 ATOM 3 C C . LEU A 1 11 ? 14.164 22.442 -21.438 1.00 39.03 ? 111 LEU A C 1 ATOM 4 O O . LEU A 1 11 ? 15.178 22.941 -21.942 1.00 38.95 ? 111 LEU A O 1 ATOM 5 C CB . LEU A 1 11 ? 11.907 23.203 -22.218 1.00 38.99 ? 111 LEU A CB 1 ATOM 6 C CG . LEU A 1 11 ? 10.470 23.643 -21.932 1.00 39.42 ? 111 LEU A CG 1 ATOM 7 C CD1 . LEU A 1 11 ? 10.288 25.111 -22.268 1.00 39.12 ? 111 LEU A CD1 1 ATOM 8 C CD2 . LEU A 1 11 ? 9.475 22.795 -22.722 1.00 39.58 ? 111 LEU A CD2 1 ATOM 9 N N . TYR A 1 12 ? 14.037 21.137 -21.162 1.00 39.14 ? 112 TYR A N 1 ATOM 10 C CA . TYR A 1 12 ? 15.106 20.139 -21.345 1.00 39.10 ? 112 TYR A CA 1 ATOM 11 C C . TYR A 1 12 ? 14.553 18.810 -21.877 1.00 39.27 ? 112 TYR A C 1 ATOM 12 O O . TYR A 1 12 ? 13.633 18.241 -21.281 1.00 39.37 ? 112 TYR A O 1 ATOM 13 C CB . TYR A 1 12 ? 15.842 19.867 -20.017 1.00 38.91 ? 112 TYR A CB 1 ATOM 14 C CG . TYR A 1 12 ? 16.678 21.017 -19.496 1.00 38.64 ? 112 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 12 ? 16.126 21.970 -18.640 1.00 39.16 ? 112 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 12 ? 18.019 21.153 -19.852 1.00 38.27 ? 112 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 12 ? 16.880 23.042 -18.166 1.00 39.01 ? 112 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 12 ? 18.788 22.216 -19.374 1.00 38.32 ? 112 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 12 ? 18.211 23.157 -18.527 1.00 38.85 ? 112 TYR A CZ 1 ATOM 20 O OH . TYR A 1 12 ? 18.949 24.217 -18.044 1.00 38.58 ? 112 TYR A OH 1 ATOM 21 N N . ASP A 1 13 ? 15.102 18.324 -22.995 1.00 39.39 ? 113 ASP A N 1 ATOM 22 C CA . ASP A 1 13 ? 14.880 16.928 -23.412 1.00 39.57 ? 113 ASP A CA 1 ATOM 23 C C . ASP A 1 13 ? 16.106 16.084 -23.074 1.00 39.87 ? 113 ASP A C 1 ATOM 24 O O . ASP A 1 13 ? 17.118 16.621 -22.616 1.00 40.20 ? 113 ASP A O 1 ATOM 25 C CB . ASP A 1 13 ? 14.457 16.781 -24.896 1.00 39.35 ? 113 ASP A CB 1 ATOM 26 C CG . ASP A 1 13 ? 15.429 17.422 -25.887 1.00 38.42 ? 113 ASP A CG 1 ATOM 27 O OD1 . ASP A 1 13 ? 16.645 17.531 -25.626 1.00 36.97 ? 113 ASP A OD1 1 ATOM 28 O OD2 . ASP A 1 13 ? 14.951 17.809 -26.969 1.00 37.53 ? 113 ASP A OD2 1 ATOM 29 N N . ARG A 1 14 ? 16.020 14.775 -23.279 1.00 39.93 ? 114 ARG A N 1 ATOM 30 C CA . ARG A 1 14 ? 17.157 13.909 -22.993 1.00 40.15 ? 114 ARG A CA 1 ATOM 31 C C . ARG A 1 14 ? 18.424 14.415 -23.712 1.00 40.23 ? 114 ARG A C 1 ATOM 32 O O . ARG A 1 14 ? 19.489 14.540 -23.093 1.00 40.53 ? 114 ARG A O 1 ATOM 33 C CB . ARG A 1 14 ? 16.833 12.454 -23.359 1.00 40.09 ? 114 ARG A CB 1 ATOM 34 C CG . ARG A 1 14 ? 18.007 11.472 -23.234 1.00 40.25 ? 114 ARG A CG 1 ATOM 35 C CD . ARG A 1 14 ? 17.569 10.020 -23.412 1.00 40.43 ? 114 ARG A CD 1 ATOM 36 N NE . ARG A 1 14 ? 16.720 9.818 -24.592 1.00 41.70 ? 114 ARG A NE 1 ATOM 37 C CZ . ARG A 1 14 ? 17.137 9.292 -25.741 1.00 41.94 ? 114 ARG A CZ 1 ATOM 38 N NH1 . ARG A 1 14 ? 18.405 8.907 -25.880 1.00 41.91 ? 114 ARG A NH1 1 ATOM 39 N NH2 . ARG A 1 14 ? 16.284 9.150 -26.750 1.00 41.37 ? 114 ARG A NH2 1 ATOM 40 N N . ARG A 1 15 ? 18.279 14.730 -25.001 1.00 40.14 ? 115 ARG A N 1 ATOM 41 C CA . ARG A 1 15 ? 19.381 15.158 -25.874 1.00 40.07 ? 115 ARG A CA 1 ATOM 42 C C . ARG A 1 15 ? 20.116 16.397 -25.349 1.00 39.81 ? 115 ARG A C 1 ATOM 43 O O . ARG A 1 15 ? 21.350 16.439 -25.340 1.00 39.80 ? 115 ARG A O 1 ATOM 44 C CB . ARG A 1 15 ? 18.851 15.382 -27.308 1.00 40.26 ? 115 ARG A CB 1 ATOM 45 C CG . ARG A 1 15 ? 19.896 15.708 -28.402 1.00 41.09 ? 115 ARG A CG 1 ATOM 46 C CD . ARG A 1 15 ? 21.321 15.178 -28.094 1.00 42.19 ? 115 ARG A CD 1 ATOM 47 N NE . ARG A 1 15 ? 21.609 13.797 -28.485 1.00 41.48 ? 115 ARG A NE 1 ATOM 48 C CZ . ARG A 1 15 ? 22.547 13.037 -27.913 1.00 41.79 ? 115 ARG A CZ 1 ATOM 49 N NH1 . ARG A 1 15 ? 23.273 13.504 -26.897 1.00 42.08 ? 115 ARG A NH1 1 ATOM 50 N NH2 . ARG A 1 15 ? 22.756 11.797 -28.345 1.00 40.63 ? 115 ARG A NH2 1 ATOM 51 N N . SER A 1 16 ? 19.340 17.383 -24.906 1.00 39.58 ? 116 SER A N 1 ATOM 52 C CA . SER A 1 16 ? 19.846 18.650 -24.386 1.00 39.08 ? 116 SER A CA 1 ATOM 53 C C . SER A 1 16 ? 20.865 18.459 -23.258 1.00 38.85 ? 116 SER A C 1 ATOM 54 O O . SER A 1 16 ? 21.948 19.044 -23.290 1.00 38.96 ? 116 SER A O 1 ATOM 55 C CB . SER A 1 16 ? 18.676 19.494 -23.893 1.00 38.89 ? 116 SER A CB 1 ATOM 56 O OG . SER A 1 16 ? 18.924 20.859 -24.124 1.00 39.19 ? 116 SER A OG 1 ATOM 57 N N . ILE A 1 17 ? 20.516 17.630 -22.277 1.00 38.38 ? 117 ILE A N 1 ATOM 58 C CA . ILE A 1 17 ? 21.373 17.388 -21.116 1.00 38.11 ? 117 ILE A CA 1 ATOM 59 C C . ILE A 1 17 ? 22.594 16.566 -21.477 1.00 37.99 ? 117 ILE A C 1 ATOM 60 O O . ILE A 1 17 ? 23.699 16.850 -21.017 1.00 37.85 ? 117 ILE A O 1 ATOM 61 C CB . ILE A 1 17 ? 20.614 16.658 -19.987 1.00 38.07 ? 117 ILE A CB 1 ATOM 62 C CG1 . ILE A 1 17 ? 19.520 17.564 -19.409 1.00 37.99 ? 117 ILE A CG1 1 ATOM 63 C CG2 . ILE A 1 17 ? 21.582 16.220 -18.898 1.00 37.61 ? 117 ILE A CG2 1 ATOM 64 C CD1 . ILE A 1 17 ? 18.410 16.824 -18.688 1.00 37.37 ? 117 ILE A CD1 1 ATOM 65 N N . PHE A 1 18 ? 22.380 15.545 -22.300 1.00 37.93 ? 118 PHE A N 1 ATOM 66 C CA . PHE A 1 18 ? 23.436 14.613 -22.667 1.00 38.10 ? 118 PHE A CA 1 ATOM 67 C C . PHE A 1 18 ? 24.569 15.326 -23.389 1.00 38.06 ? 118 PHE A C 1 ATOM 68 O O . PHE A 1 18 ? 25.734 14.965 -23.221 1.00 38.35 ? 118 PHE A O 1 ATOM 69 C CB . PHE A 1 18 ? 22.873 13.448 -23.498 1.00 38.17 ? 118 PHE A CB 1 ATOM 70 C CG . PHE A 1 18 ? 22.326 12.294 -22.662 1.00 38.96 ? 118 PHE A CG 1 ATOM 71 C CD1 . PHE A 1 18 ? 22.511 10.975 -23.067 1.00 39.05 ? 118 PHE A CD1 1 ATOM 72 C CD2 . PHE A 1 18 ? 21.627 12.524 -21.469 1.00 39.58 ? 118 PHE A CD2 1 ATOM 73 C CE1 . PHE A 1 18 ? 22.004 9.910 -22.306 1.00 38.20 ? 118 PHE A CE1 1 ATOM 74 C CE2 . PHE A 1 18 ? 21.124 11.466 -20.704 1.00 38.17 ? 118 PHE A CE2 1 ATOM 75 C CZ . PHE A 1 18 ? 21.314 10.162 -21.125 1.00 38.00 ? 118 PHE A CZ 1 ATOM 76 N N . ASP A 1 19 ? 24.214 16.342 -24.175 1.00 37.75 ? 119 ASP A N 1 ATOM 77 C CA . ASP A 1 19 ? 25.183 17.207 -24.841 1.00 37.56 ? 119 ASP A CA 1 ATOM 78 C C . ASP A 1 19 ? 25.917 18.103 -23.864 1.00 37.47 ? 119 ASP A C 1 ATOM 79 O O . ASP A 1 19 ? 27.123 18.302 -23.994 1.00 37.67 ? 119 ASP A O 1 ATOM 80 C CB . ASP A 1 19 ? 24.482 18.095 -25.859 1.00 37.64 ? 119 ASP A CB 1 ATOM 81 C CG . ASP A 1 19 ? 23.915 17.318 -27.009 1.00 37.62 ? 119 ASP A CG 1 ATOM 82 O OD1 . ASP A 1 19 ? 24.256 16.118 -27.136 1.00 37.43 ? 119 ASP A OD1 1 ATOM 83 O OD2 . ASP A 1 19 ? 23.131 17.914 -27.781 1.00 36.68 ? 119 ASP A OD2 1 ATOM 84 N N . ALA A 1 20 ? 25.173 18.661 -22.909 1.00 37.22 ? 120 ALA A N 1 ATOM 85 C CA . ALA A 1 20 ? 25.734 19.509 -21.870 1.00 37.08 ? 120 ALA A CA 1 ATOM 86 C C . ALA A 1 20 ? 26.803 18.741 -21.109 1.00 37.29 ? 120 ALA A C 1 ATOM 87 O O . ALA A 1 20 ? 27.912 19.232 -20.908 1.00 37.22 ? 120 ALA A O 1 ATOM 88 C CB . ALA A 1 20 ? 24.644 19.964 -20.935 1.00 36.72 ? 120 ALA A CB 1 ATOM 89 N N . VAL A 1 21 ? 26.448 17.521 -20.713 1.00 37.81 ? 121 VAL A N 1 ATOM 90 C CA . VAL A 1 21 ? 27.314 16.601 -19.969 1.00 38.20 ? 121 VAL A CA 1 ATOM 91 C C . VAL A 1 21 ? 28.597 16.272 -20.742 1.00 38.75 ? 121 VAL A C 1 ATOM 92 O O . VAL A 1 21 ? 29.688 16.234 -20.174 1.00 38.65 ? 121 VAL A O 1 ATOM 93 C CB . VAL A 1 21 ? 26.554 15.290 -19.668 1.00 37.83 ? 121 VAL A CB 1 ATOM 94 C CG1 . VAL A 1 21 ? 27.487 14.232 -19.226 1.00 38.04 ? 121 VAL A CG1 1 ATOM 95 C CG2 . VAL A 1 21 ? 25.498 15.508 -18.627 1.00 37.32 ? 121 VAL A CG2 1 ATOM 96 N N . ALA A 1 22 ? 28.440 16.048 -22.043 1.00 39.52 ? 122 ALA A N 1 ATOM 97 C CA . ALA A 1 22 ? 29.534 15.680 -22.932 1.00 40.17 ? 122 ALA A CA 1 ATOM 98 C C . ALA A 1 22 ? 30.701 16.662 -22.848 1.00 40.51 ? 122 ALA A C 1 ATOM 99 O O . ALA A 1 22 ? 31.864 16.278 -22.976 1.00 41.04 ? 122 ALA A O 1 ATOM 100 C CB . ALA A 1 22 ? 29.023 15.578 -24.371 1.00 40.30 ? 122 ALA A CB 1 ATOM 101 N N . GLN A 1 23 ? 30.394 17.929 -22.625 1.00 40.68 ? 123 GLN A N 1 ATOM 102 C CA . GLN A 1 23 ? 31.439 18.944 -22.581 1.00 40.83 ? 123 GLN A CA 1 ATOM 103 C C . GLN A 1 23 ? 31.690 19.575 -21.213 1.00 40.67 ? 123 GLN A C 1 ATOM 104 O O . GLN A 1 23 ? 32.326 20.630 -21.123 1.00 40.24 ? 123 GLN A O 1 ATOM 105 C CB . GLN A 1 23 ? 31.240 19.954 -23.706 1.00 40.73 ? 123 GLN A CB 1 ATOM 106 C CG . GLN A 1 23 ? 29.842 19.939 -24.269 1.00 41.17 ? 123 GLN A CG 1 ATOM 107 C CD . GLN A 1 23 ? 29.396 21.300 -24.739 1.00 42.27 ? 123 GLN A CD 1 ATOM 108 O OE1 . GLN A 1 23 ? 30.153 22.034 -25.386 1.00 42.50 ? 123 GLN A OE1 1 ATOM 109 N NE2 . GLN A 1 23 ? 28.156 21.653 -24.413 1.00 42.47 ? 123 GLN A NE2 1 ATOM 110 N N . SER A 1 24 ? 31.199 18.901 -20.166 1.00 40.54 ? 124 SER A N 1 ATOM 111 C CA . SER A 1 24 ? 31.365 19.329 -18.775 1.00 40.46 ? 124 SER A CA 1 ATOM 112 C C . SER A 1 24 ? 30.876 20.752 -18.491 1.00 40.46 ? 124 SER A C 1 ATOM 113 O O . SER A 1 24 ? 31.550 21.548 -17.822 1.00 40.55 ? 124 SER A O 1 ATOM 114 C CB . SER A 1 24 ? 32.768 19.090 -18.195 1.00 40.72 ? 124 SER A CB 1 ATOM 115 O OG . SER A 1 24 ? 32.978 17.720 -17.883 1.00 40.02 ? 124 SER A OG 1 ATOM 116 N N . ASN A 1 25 ? 29.697 21.055 -19.029 1.00 40.34 ? 125 ASN A N 1 ATOM 117 C CA . ASN A 1 25 ? 29.081 22.371 -18.933 1.00 40.00 ? 125 ASN A CA 1 ATOM 118 C C . ASN A 1 25 ? 28.102 22.470 -17.759 1.00 39.97 ? 125 ASN A C 1 ATOM 119 O O . ASN A 1 25 ? 27.010 21.893 -17.792 1.00 39.73 ? 125 ASN A O 1 ATOM 120 C CB . ASN A 1 25 ? 28.369 22.609 -20.273 1.00 39.94 ? 125 ASN A CB 1 ATOM 121 C CG . ASN A 1 25 ? 28.282 24.077 -20.654 1.00 39.92 ? 125 ASN A CG 1 ATOM 122 O OD1 . ASN A 1 25 ? 29.178 24.868 -20.354 1.00 40.61 ? 125 ASN A OD1 1 ATOM 123 N ND2 . ASN A 1 25 ? 27.206 24.442 -21.345 1.00 38.83 ? 125 ASN A ND2 1 ATOM 124 N N . CYS A 1 26 ? 28.507 23.177 -16.706 1.00 40.02 ? 126 CYS A N 1 ATOM 125 C CA . CYS A 1 26 ? 27.653 23.338 -15.528 1.00 40.19 ? 126 CYS A CA 1 ATOM 126 C C . CYS A 1 26 ? 26.709 24.536 -15.623 1.00 40.19 ? 126 CYS A C 1 ATOM 127 O O . CYS A 1 26 ? 25.899 24.773 -14.725 1.00 40.35 ? 126 CYS A O 1 ATOM 128 C CB . CYS A 1 26 ? 28.493 23.396 -14.254 1.00 40.11 ? 126 CYS A CB 1 ATOM 129 S SG . CYS A 1 26 ? 28.810 21.751 -13.590 1.00 41.75 ? 126 CYS A SG 1 ATOM 130 N N . GLN A 1 27 ? 26.808 25.277 -16.720 1.00 39.96 ? 127 GLN A N 1 ATOM 131 C CA . GLN A 1 27 ? 25.943 26.410 -16.950 1.00 39.86 ? 127 GLN A CA 1 ATOM 132 C C . GLN A 1 27 ? 24.638 26.041 -17.645 1.00 39.70 ? 127 GLN A C 1 ATOM 133 O O . GLN A 1 27 ? 23.567 26.413 -17.170 1.00 39.89 ? 127 GLN A O 1 ATOM 134 C CB . GLN A 1 27 ? 26.670 27.486 -17.745 1.00 40.10 ? 127 GLN A CB 1 ATOM 135 C CG . GLN A 1 27 ? 27.333 28.532 -16.886 1.00 40.42 ? 127 GLN A CG 1 ATOM 136 C CD . GLN A 1 27 ? 27.773 29.721 -17.700 1.00 40.72 ? 127 GLN A CD 1 ATOM 137 O OE1 . GLN A 1 27 ? 28.183 29.578 -18.856 1.00 41.00 ? 127 GLN A OE1 1 ATOM 138 N NE2 . GLN A 1 27 ? 27.694 30.907 -17.106 1.00 40.38 ? 127 GLN A NE2 1 ATOM 139 N N . GLU A 1 28 ? 24.710 25.329 -18.770 1.00 39.36 ? 128 GLU A N 1 ATOM 140 C CA . GLU A 1 28 ? 23.482 24.971 -19.494 1.00 38.87 ? 128 GLU A CA 1 ATOM 141 C C . GLU A 1 28 ? 22.516 24.195 -18.591 1.00 38.40 ? 128 GLU A C 1 ATOM 142 O O . GLU A 1 28 ? 21.354 23.982 -18.941 1.00 38.38 ? 128 GLU A O 1 ATOM 143 C CB . GLU A 1 28 ? 23.770 24.235 -20.819 1.00 38.82 ? 128 GLU A CB 1 ATOM 144 C CG . GLU A 1 28 ? 24.268 25.131 -21.958 1.00 38.80 ? 128 GLU A CG 1 ATOM 145 C CD . GLU A 1 28 ? 23.975 26.623 -21.739 1.00 39.92 ? 128 GLU A CD 1 ATOM 146 O OE1 . GLU A 1 28 ? 24.922 27.352 -21.363 1.00 39.79 ? 128 GLU A OE1 1 ATOM 147 O OE2 . GLU A 1 28 ? 22.812 27.068 -21.929 1.00 39.80 ? 128 GLU A OE2 1 ATOM 148 N N . LEU A 1 29 ? 23.011 23.815 -17.414 1.00 37.82 ? 129 LEU A N 1 ATOM 149 C CA . LEU A 1 29 ? 22.225 23.120 -16.401 1.00 37.32 ? 129 LEU A CA 1 ATOM 150 C C . LEU A 1 29 ? 21.917 24.042 -15.203 1.00 37.27 ? 129 LEU A C 1 ATOM 151 O O . LEU A 1 29 ? 21.507 23.572 -14.133 1.00 37.02 ? 129 LEU A O 1 ATOM 152 C CB . LEU A 1 29 ? 22.930 21.816 -15.969 1.00 37.25 ? 129 LEU A CB 1 ATOM 153 C CG . LEU A 1 29 ? 23.317 20.759 -17.031 1.00 36.39 ? 129 LEU A CG 1 ATOM 154 C CD1 . LEU A 1 29 ? 24.353 19.786 -16.495 1.00 36.12 ? 129 LEU A CD1 1 ATOM 155 C CD2 . LEU A 1 29 ? 22.110 19.993 -17.589 1.00 35.22 ? 129 LEU A CD2 1 ATOM 156 N N . GLU A 1 30 ? 22.112 25.343 -15.392 1.00 37.17 ? 130 GLU A N 1 ATOM 157 C CA . GLU A 1 30 ? 21.627 26.334 -14.438 1.00 37.14 ? 130 GLU A CA 1 ATOM 158 C C . GLU A 1 30 ? 20.111 26.262 -14.288 1.00 37.12 ? 130 GLU A C 1 ATOM 159 O O . GLU A 1 30 ? 19.587 26.222 -13.175 1.00 36.99 ? 130 GLU A O 1 ATOM 160 C CB . GLU A 1 30 ? 22.046 27.741 -14.867 1.00 37.32 ? 130 GLU A CB 1 ATOM 161 C CG . GLU A 1 30 ? 23.548 27.923 -15.018 1.00 37.47 ? 130 GLU A CG 1 ATOM 162 C CD . GLU A 1 30 ? 23.921 29.313 -15.494 1.00 37.00 ? 130 GLU A CD 1 ATOM 163 O OE1 . GLU A 1 30 ? 23.005 30.126 -15.738 1.00 36.09 ? 130 GLU A OE1 1 ATOM 164 O OE2 . GLU A 1 30 ? 25.132 29.594 -15.622 1.00 36.61 ? 130 GLU A OE2 1 ATOM 165 N N . SER A 1 31 ? 19.413 26.244 -15.419 1.00 37.17 ? 131 SER A N 1 ATOM 166 C CA . SER A 1 31 ? 17.961 26.246 -15.429 1.00 37.31 ? 131 SER A CA 1 ATOM 167 C C . SER A 1 31 ? 17.377 24.831 -15.278 1.00 37.35 ? 131 SER A C 1 ATOM 168 O O . SER A 1 31 ? 16.181 24.617 -15.479 1.00 37.49 ? 131 SER A O 1 ATOM 169 C CB . SER A 1 31 ? 17.463 26.934 -16.710 1.00 37.10 ? 131 SER A CB 1 ATOM 170 O OG . SER A 1 31 ? 16.296 27.687 -16.459 1.00 36.88 ? 131 SER A OG 1 ATOM 171 N N . LEU A 1 32 ? 18.217 23.875 -14.892 1.00 37.54 ? 132 LEU A N 1 ATOM 172 C CA . LEU A 1 32 ? 17.805 22.472 -14.839 1.00 37.75 ? 132 LEU A CA 1 ATOM 173 C C . LEU A 1 32 ? 16.860 22.168 -13.691 1.00 37.89 ? 132 LEU A C 1 ATOM 174 O O . LEU A 1 32 ? 15.695 21.841 -13.913 1.00 37.85 ? 132 LEU A O 1 ATOM 175 C CB . LEU A 1 32 ? 19.007 21.525 -14.791 1.00 37.53 ? 132 LEU A CB 1 ATOM 176 C CG . LEU A 1 32 ? 18.581 20.052 -14.840 1.00 37.70 ? 132 LEU A CG 1 ATOM 177 C CD1 . LEU A 1 32 ? 17.813 19.749 -16.122 1.00 38.18 ? 132 LEU A CD1 1 ATOM 178 C CD2 . LEU A 1 32 ? 19.756 19.090 -14.672 1.00 37.79 ? 132 LEU A CD2 1 ATOM 179 N N . LEU A 1 33 ? 17.373 22.268 -12.470 1.00 38.23 ? 133 LEU A N 1 ATOM 180 C CA . LEU A 1 33 ? 16.567 22.029 -11.274 1.00 38.63 ? 133 LEU A CA 1 ATOM 181 C C . LEU A 1 33 ? 15.165 22.661 -11.376 1.00 38.59 ? 133 LEU A C 1 ATOM 182 O O . LEU A 1 33 ? 14.165 21.950 -11.237 1.00 38.79 ? 133 LEU A O 1 ATOM 183 C CB . LEU A 1 33 ? 17.308 22.494 -10.005 1.00 38.86 ? 133 LEU A CB 1 ATOM 184 C CG . LEU A 1 33 ? 16.504 22.634 -8.705 1.00 38.89 ? 133 LEU A CG 1 ATOM 185 C CD1 . LEU A 1 33 ? 16.177 21.257 -8.150 1.00 39.14 ? 133 LEU A CD1 1 ATOM 186 C CD2 . LEU A 1 33 ? 17.243 23.479 -7.675 1.00 38.54 ? 133 LEU A CD2 1 ATOM 187 N N . PRO A 1 34 ? 15.085 23.982 -11.646 1.00 38.39 ? 134 PRO A N 1 ATOM 188 C CA . PRO A 1 34 ? 13.758 24.591 -11.692 1.00 38.39 ? 134 PRO A CA 1 ATOM 189 C C . PRO A 1 34 ? 12.821 24.048 -12.778 1.00 38.38 ? 134 PRO A C 1 ATOM 190 O O . PRO A 1 34 ? 11.609 24.214 -12.648 1.00 38.58 ? 134 PRO A O 1 ATOM 191 C CB . PRO A 1 34 ? 14.058 26.074 -11.929 1.00 38.35 ? 134 PRO A CB 1 ATOM 192 C CG . PRO A 1 34 ? 15.405 26.090 -12.546 1.00 38.39 ? 134 PRO A CG 1 ATOM 193 C CD . PRO A 1 34 ? 16.145 24.975 -11.901 1.00 38.29 ? 134 PRO A CD 1 ATOM 194 N N . PHE A 1 35 ? 13.358 23.405 -13.820 1.00 38.22 ? 135 PHE A N 1 ATOM 195 C CA . PHE A 1 35 ? 12.513 22.855 -14.899 1.00 38.15 ? 135 PHE A CA 1 ATOM 196 C C . PHE A 1 35 ? 11.624 21.690 -14.450 1.00 38.22 ? 135 PHE A C 1 ATOM 197 O O . PHE A 1 35 ? 10.411 21.703 -14.676 1.00 38.24 ? 135 PHE A O 1 ATOM 198 C CB . PHE A 1 35 ? 13.339 22.452 -16.131 1.00 38.00 ? 135 PHE A CB 1 ATOM 199 C CG . PHE A 1 35 ? 12.634 21.472 -17.052 1.00 37.82 ? 135 PHE A CG 1 ATOM 200 C CD1 . PHE A 1 35 ? 13.009 20.120 -17.076 1.00 37.32 ? 135 PHE A CD1 1 ATOM 201 C CD2 . PHE A 1 35 ? 11.597 21.896 -17.888 1.00 37.00 ? 135 PHE A CD2 1 ATOM 202 C CE1 . PHE A 1 35 ? 12.360 19.215 -17.915 1.00 37.15 ? 135 PHE A CE1 1 ATOM 203 C CE2 . PHE A 1 35 ? 10.944 20.998 -18.732 1.00 36.66 ? 135 PHE A CE2 1 ATOM 204 C CZ . PHE A 1 35 ? 11.321 19.660 -18.750 1.00 37.22 ? 135 PHE A CZ 1 ATOM 205 N N . LEU A 1 36 ? 12.228 20.678 -13.835 1.00 38.28 ? 136 LEU A N 1 ATOM 206 C CA . LEU A 1 36 ? 11.468 19.511 -13.390 1.00 38.37 ? 136 LEU A CA 1 ATOM 207 C C . LEU A 1 36 ? 10.881 19.736 -12.006 1.00 38.58 ? 136 LEU A C 1 ATOM 208 O O . LEU A 1 36 ? 10.487 18.795 -11.317 1.00 38.71 ? 136 LEU A O 1 ATOM 209 C CB . LEU A 1 36 ? 12.292 18.219 -13.476 1.00 38.10 ? 136 LEU A CB 1 ATOM 210 C CG . LEU A 1 36 ? 13.747 18.096 -13.029 1.00 37.76 ? 136 LEU A CG 1 ATOM 211 C CD1 . LEU A 1 36 ? 14.246 16.696 -13.327 1.00 36.75 ? 136 LEU A CD1 1 ATOM 212 C CD2 . LEU A 1 36 ? 14.623 19.102 -13.738 1.00 37.82 ? 136 LEU A CD2 1 ATOM 213 N N . GLN A 1 37 ? 10.843 21.006 -11.613 1.00 38.63 ? 137 GLN A N 1 ATOM 214 C CA . GLN A 1 37 ? 10.118 21.439 -10.444 1.00 38.64 ? 137 GLN A CA 1 ATOM 215 C C . GLN A 1 37 ? 8.745 21.855 -10.933 1.00 39.00 ? 137 GLN A C 1 ATOM 216 O O . GLN A 1 37 ? 7.739 21.573 -10.283 1.00 39.16 ? 137 GLN A O 1 ATOM 217 C CB . GLN A 1 37 ? 10.824 22.617 -9.776 1.00 38.61 ? 137 GLN A CB 1 ATOM 218 C CG . GLN A 1 37 ? 12.023 22.236 -8.913 1.00 38.32 ? 137 GLN A CG 1 ATOM 219 C CD . GLN A 1 37 ? 12.702 23.444 -8.282 1.00 38.24 ? 137 GLN A CD 1 ATOM 220 O OE1 . GLN A 1 37 ? 12.541 24.578 -8.739 1.00 38.00 ? 137 GLN A OE1 1 ATOM 221 N NE2 . GLN A 1 37 ? 13.464 23.205 -7.225 1.00 36.91 ? 137 GLN A NE2 1 ATOM 222 N N . ARG A 1 38 ? 8.719 22.521 -12.090 1.00 39.25 ? 138 ARG A N 1 ATOM 223 C CA . ARG A 1 38 ? 7.481 22.986 -12.723 1.00 39.39 ? 138 ARG A CA 1 ATOM 224 C C . ARG A 1 38 ? 6.717 21.787 -13.272 1.00 39.31 ? 138 ARG A C 1 ATOM 225 O O . ARG A 1 38 ? 5.562 21.547 -12.900 1.00 39.50 ? 138 ARG A O 1 ATOM 226 C CB . ARG A 1 38 ? 7.781 23.988 -13.854 1.00 39.36 ? 138 ARG A CB 1 ATOM 227 C CG . ARG A 1 38 ? 6.656 25.007 -14.157 1.00 39.95 ? 138 ARG A CG 1 ATOM 228 C CD . ARG A 1 38 ? 5.638 24.529 -15.212 1.00 40.09 ? 138 ARG A CD 1 ATOM 229 N NE . ARG A 1 38 ? 4.340 24.149 -14.639 1.00 39.95 ? 138 ARG A NE 1 ATOM 230 C CZ . ARG A 1 38 ? 3.221 24.869 -14.736 1.00 39.71 ? 138 ARG A CZ 1 ATOM 231 N NH1 . ARG A 1 38 ? 3.215 26.025 -15.386 1.00 39.59 ? 138 ARG A NH1 1 ATOM 232 N NH2 . ARG A 1 38 ? 2.096 24.429 -14.182 1.00 39.42 ? 138 ARG A NH2 1 ATOM 233 N N . SER A 1 39 ? 7.385 21.034 -14.144 1.00 39.07 ? 139 SER A N 1 ATOM 234 C CA . SER A 1 39 ? 6.809 19.861 -14.784 1.00 38.76 ? 139 SER A CA 1 ATOM 235 C C . SER A 1 39 ? 6.803 18.668 -13.837 1.00 38.54 ? 139 SER A C 1 ATOM 236 O O . SER A 1 39 ? 6.231 17.623 -14.155 1.00 38.28 ? 139 SER A O 1 ATOM 237 C CB . SER A 1 39 ? 7.594 19.523 -16.052 1.00 38.91 ? 139 SER A CB 1 ATOM 238 O OG . SER A 1 39 ? 8.977 19.370 -15.772 1.00 38.70 ? 139 SER A OG 1 ATOM 239 N N . LYS A 1 40 ? 7.433 18.840 -12.674 1.00 38.44 ? 140 LYS A N 1 ATOM 240 C CA . LYS A 1 40 ? 7.605 17.770 -11.683 1.00 38.58 ? 140 LYS A CA 1 ATOM 241 C C . LYS A 1 40 ? 8.147 16.498 -12.324 1.00 38.66 ? 140 LYS A C 1 ATOM 242 O O . LYS A 1 40 ? 7.899 15.396 -11.829 1.00 38.76 ? 140 LYS A O 1 ATOM 243 C CB . LYS A 1 40 ? 6.305 17.477 -10.909 1.00 38.50 ? 140 LYS A CB 1 ATOM 244 C CG . LYS A 1 40 ? 6.008 18.436 -9.769 1.00 38.16 ? 140 LYS A CG 1 ATOM 245 C CD . LYS A 1 40 ? 4.499 18.619 -9.614 1.00 37.47 ? 140 LYS A CD 1 ATOM 246 C CE . LYS A 1 40 ? 4.128 20.094 -9.628 1.00 36.62 ? 140 LYS A CE 1 ATOM 247 N NZ . LYS A 1 40 ? 2.881 20.357 -10.405 1.00 36.08 ? 140 LYS A NZ 1 ATOM 248 N N . LYS A 1 41 ? 8.874 16.658 -13.431 1.00 38.72 ? 141 LYS A N 1 ATOM 249 C CA . LYS A 1 41 ? 9.535 15.538 -14.093 1.00 38.73 ? 141 LYS A CA 1 ATOM 250 C C . LYS A 1 41 ? 10.716 15.073 -13.233 1.00 39.11 ? 141 LYS A C 1 ATOM 251 O O . LYS A 1 41 ? 11.223 15.836 -12.409 1.00 39.13 ? 141 LYS A O 1 ATOM 252 C CB . LYS A 1 41 ? 9.969 15.930 -15.512 1.00 38.73 ? 141 LYS A CB 1 ATOM 253 C CG . LYS A 1 41 ? 8.836 15.874 -16.557 1.00 38.45 ? 141 LYS A CG 1 ATOM 254 C CD . LYS A 1 41 ? 9.259 16.438 -17.916 1.00 38.20 ? 141 LYS A CD 1 ATOM 255 C CE . LYS A 1 41 ? 8.478 15.815 -19.078 1.00 36.83 ? 141 LYS A CE 1 ATOM 256 N NZ . LYS A 1 41 ? 7.072 16.276 -19.204 1.00 36.67 ? 141 LYS A NZ 1 ATOM 257 N N . ARG A 1 42 ? 11.128 13.818 -13.384 1.00 39.34 ? 142 ARG A N 1 ATOM 258 C CA . ARG A 1 42 ? 12.244 13.300 -12.590 1.00 39.69 ? 142 ARG A CA 1 ATOM 259 C C . ARG A 1 42 ? 13.421 12.938 -13.456 1.00 39.38 ? 142 ARG A C 1 ATOM 260 O O . ARG A 1 42 ? 13.254 12.388 -14.545 1.00 39.44 ? 142 ARG A O 1 ATOM 261 C CB . ARG A 1 42 ? 11.833 12.081 -11.764 1.00 40.09 ? 142 ARG A CB 1 ATOM 262 C CG . ARG A 1 42 ? 10.817 12.378 -10.668 1.00 41.63 ? 142 ARG A CG 1 ATOM 263 C CD . ARG A 1 42 ? 11.435 13.201 -9.557 1.00 43.66 ? 142 ARG A CD 1 ATOM 264 N NE . ARG A 1 42 ? 10.455 13.545 -8.533 1.00 45.45 ? 142 ARG A NE 1 ATOM 265 C CZ . ARG A 1 42 ? 10.298 12.888 -7.387 1.00 46.45 ? 142 ARG A CZ 1 ATOM 266 N NH1 . ARG A 1 42 ? 11.067 11.838 -7.103 1.00 46.46 ? 142 ARG A NH1 1 ATOM 267 N NH2 . ARG A 1 42 ? 9.372 13.292 -6.519 1.00 46.97 ? 142 ARG A NH2 1 ATOM 268 N N . LEU A 1 43 ? 14.614 13.224 -12.952 1.00 38.96 ? 143 LEU A N 1 ATOM 269 C CA . LEU A 1 43 ? 15.839 12.945 -13.679 1.00 38.73 ? 143 LEU A CA 1 ATOM 270 C C . LEU A 1 43 ? 15.928 11.457 -14.031 1.00 38.69 ? 143 LEU A C 1 ATOM 271 O O . LEU A 1 43 ? 16.764 11.038 -14.835 1.00 38.54 ? 143 LEU A O 1 ATOM 272 C CB . LEU A 1 43 ? 17.023 13.383 -12.827 1.00 38.67 ? 143 LEU A CB 1 ATOM 273 C CG . LEU A 1 43 ? 18.235 14.003 -13.512 1.00 38.27 ? 143 LEU A CG 1 ATOM 274 C CD1 . LEU A 1 43 ? 17.822 14.979 -14.590 1.00 38.33 ? 143 LEU A CD1 1 ATOM 275 C CD2 . LEU A 1 43 ? 19.071 14.706 -12.464 1.00 38.05 ? 143 LEU A CD2 1 ATOM 276 N N . THR A 1 44 ? 15.021 10.685 -13.431 1.00 38.76 ? 144 THR A N 1 ATOM 277 C CA . THR A 1 44 ? 14.993 9.224 -13.516 1.00 38.85 ? 144 THR A CA 1 ATOM 278 C C . THR A 1 44 ? 13.860 8.706 -14.409 1.00 39.09 ? 144 THR A C 1 ATOM 279 O O . THR A 1 44 ? 13.735 7.486 -14.619 1.00 39.27 ? 144 THR A O 1 ATOM 280 C CB . THR A 1 44 ? 14.819 8.577 -12.110 1.00 38.66 ? 144 THR A CB 1 ATOM 281 O OG1 . THR A 1 44 ? 13.619 9.068 -11.498 1.00 38.84 ? 144 THR A OG1 1 ATOM 282 C CG2 . THR A 1 44 ? 16.008 8.876 -11.212 1.00 38.11 ? 144 THR A CG2 1 ATOM 283 N N . ASP A 1 45 ? 13.030 9.619 -14.919 1.00 38.98 ? 145 ASP A N 1 ATOM 284 C CA . ASP A 1 45 ? 11.914 9.238 -15.778 1.00 38.85 ? 145 ASP A CA 1 ATOM 285 C C . ASP A 1 45 ? 12.379 8.394 -16.957 1.00 39.08 ? 145 ASP A C 1 ATOM 286 O O . ASP A 1 45 ? 13.511 8.536 -17.436 1.00 39.05 ? 145 ASP A O 1 ATOM 287 C CB . ASP A 1 45 ? 11.158 10.469 -16.280 1.00 38.66 ? 145 ASP A CB 1 ATOM 288 C CG . ASP A 1 45 ? 10.237 11.062 -15.229 1.00 38.17 ? 145 ASP A CG 1 ATOM 289 O OD1 . ASP A 1 45 ? 10.152 10.499 -14.122 1.00 37.56 ? 145 ASP A OD1 1 ATOM 290 O OD2 . ASP A 1 45 ? 9.589 12.094 -15.512 1.00 37.33 ? 145 ASP A OD2 1 ATOM 291 N N . SER A 1 46 ? 11.498 7.504 -17.402 1.00 39.39 ? 146 SER A N 1 ATOM 292 C CA . SER A 1 46 ? 11.694 6.724 -18.624 1.00 39.67 ? 146 SER A CA 1 ATOM 293 C C . SER A 1 46 ? 12.357 7.555 -19.739 1.00 39.67 ? 146 SER A C 1 ATOM 294 O O . SER A 1 46 ? 13.302 7.098 -20.396 1.00 39.33 ? 146 SER A O 1 ATOM 295 C CB . SER A 1 46 ? 10.332 6.173 -19.085 1.00 39.84 ? 146 SER A CB 1 ATOM 296 O OG . SER A 1 46 ? 10.364 5.693 -20.420 1.00 40.22 ? 146 SER A OG 1 ATOM 297 N N . GLU A 1 47 ? 11.861 8.786 -19.904 1.00 39.87 ? 147 GLU A N 1 ATOM 298 C CA . GLU A 1 47 ? 12.231 9.689 -20.998 1.00 39.89 ? 147 GLU A CA 1 ATOM 299 C C . GLU A 1 47 ? 13.657 10.246 -20.897 1.00 39.69 ? 147 GLU A C 1 ATOM 300 O O . GLU A 1 47 ? 14.183 10.801 -21.868 1.00 39.61 ? 147 GLU A O 1 ATOM 301 C CB . GLU A 1 47 ? 11.242 10.856 -21.061 1.00 39.80 ? 147 GLU A CB 1 ATOM 302 C CG . GLU A 1 47 ? 11.820 12.164 -20.548 1.00 40.42 ? 147 GLU A CG 1 ATOM 303 C CD . GLU A 1 47 ? 10.770 13.139 -20.107 1.00 41.70 ? 147 GLU A CD 1 ATOM 304 O OE1 . GLU A 1 47 ? 10.089 12.842 -19.101 1.00 42.45 ? 147 GLU A OE1 1 ATOM 305 O OE2 . GLU A 1 47 ? 10.636 14.204 -20.754 1.00 41.75 ? 147 GLU A OE2 1 ATOM 306 N N . PHE A 1 48 ? 14.262 10.127 -19.721 1.00 39.45 ? 148 PHE A N 1 ATOM 307 C CA . PHE A 1 48 ? 15.588 10.684 -19.493 1.00 39.46 ? 148 PHE A CA 1 ATOM 308 C C . PHE A 1 48 ? 16.673 9.611 -19.512 1.00 39.33 ? 148 PHE A C 1 ATOM 309 O O . PHE A 1 48 ? 17.802 9.834 -19.057 1.00 39.46 ? 148 PHE A O 1 ATOM 310 C CB . PHE A 1 48 ? 15.609 11.487 -18.188 1.00 39.60 ? 148 PHE A CB 1 ATOM 311 C CG . PHE A 1 48 ? 14.783 12.738 -18.239 1.00 39.75 ? 148 PHE A CG 1 ATOM 312 C CD1 . PHE A 1 48 ? 15.073 13.744 -19.155 1.00 39.86 ? 148 PHE A CD1 1 ATOM 313 C CD2 . PHE A 1 48 ? 13.713 12.911 -17.373 1.00 40.22 ? 148 PHE A CD2 1 ATOM 314 C CE1 . PHE A 1 48 ? 14.303 14.902 -19.210 1.00 40.62 ? 148 PHE A CE1 1 ATOM 315 C CE2 . PHE A 1 48 ? 12.938 14.069 -17.412 1.00 40.04 ? 148 PHE A CE2 1 ATOM 316 C CZ . PHE A 1 48 ? 13.235 15.066 -18.333 1.00 40.31 ? 148 PHE A CZ 1 ATOM 317 N N . LYS A 1 49 ? 16.309 8.446 -20.039 1.00 39.00 ? 149 LYS A N 1 ATOM 318 C CA . LYS A 1 49 ? 17.232 7.334 -20.213 1.00 38.75 ? 149 LYS A CA 1 ATOM 319 C C . LYS A 1 49 ? 17.206 6.895 -21.678 1.00 38.43 ? 149 LYS A C 1 ATOM 320 O O . LYS A 1 49 ? 16.171 7.039 -22.347 1.00 38.02 ? 149 LYS A O 1 ATOM 321 C CB . LYS A 1 49 ? 16.841 6.161 -19.306 1.00 38.62 ? 149 LYS A CB 1 ATOM 322 C CG . LYS A 1 49 ? 16.543 6.552 -17.864 1.00 38.80 ? 149 LYS A CG 1 ATOM 323 C CD . LYS A 1 49 ? 15.952 5.395 -17.044 1.00 39.05 ? 149 LYS A CD 1 ATOM 324 C CE . LYS A 1 49 ? 14.615 4.912 -17.620 1.00 39.85 ? 149 LYS A CE 1 ATOM 325 N NZ . LYS A 1 49 ? 13.563 4.659 -16.586 1.00 39.21 ? 149 LYS A NZ 1 ATOM 326 N N . ASP A 1 50 ? 18.334 6.378 -22.179 1.00 38.04 ? 150 ASP A N 1 ATOM 327 C CA . ASP A 1 50 ? 18.336 5.749 -23.500 1.00 37.79 ? 150 ASP A CA 1 ATOM 328 C C . ASP A 1 50 ? 17.453 4.499 -23.449 1.00 37.52 ? 150 ASP A C 1 ATOM 329 O O . ASP A 1 50 ? 17.724 3.583 -22.664 1.00 37.31 ? 150 ASP A O 1 ATOM 330 C CB . ASP A 1 50 ? 19.747 5.403 -23.998 1.00 37.74 ? 150 ASP A CB 1 ATOM 331 C CG . ASP A 1 50 ? 19.733 4.625 -25.336 1.00 38.07 ? 150 ASP A CG 1 ATOM 332 O OD1 . ASP A 1 50 ? 18.711 4.651 -26.060 1.00 38.33 ? 150 ASP A OD1 1 ATOM 333 O OD2 . ASP A 1 50 ? 20.749 3.983 -25.681 1.00 38.09 ? 150 ASP A OD2 1 ATOM 334 N N . PRO A 1 51 ? 16.383 4.477 -24.278 1.00 37.24 ? 151 PRO A N 1 ATOM 335 C CA . PRO A 1 51 ? 15.371 3.422 -24.275 1.00 36.93 ? 151 PRO A CA 1 ATOM 336 C C . PRO A 1 51 ? 15.850 1.990 -24.551 1.00 36.66 ? 151 PRO A C 1 ATOM 337 O O . PRO A 1 51 ? 15.026 1.082 -24.534 1.00 36.96 ? 151 PRO A O 1 ATOM 338 C CB . PRO A 1 51 ? 14.397 3.871 -25.379 1.00 36.91 ? 151 PRO A CB 1 ATOM 339 C CG . PRO A 1 51 ? 15.173 4.808 -26.230 1.00 36.86 ? 151 PRO A CG 1 ATOM 340 C CD . PRO A 1 51 ? 16.054 5.522 -25.269 1.00 37.24 ? 151 PRO A CD 1 ATOM 341 N N . GLU A 1 52 ? 17.140 1.769 -24.792 1.00 36.02 ? 152 GLU A N 1 ATOM 342 C CA . GLU A 1 52 ? 17.600 0.422 -25.125 1.00 35.59 ? 152 GLU A CA 1 ATOM 343 C C . GLU A 1 52 ? 18.764 -0.034 -24.284 1.00 35.14 ? 152 GLU A C 1 ATOM 344 O O . GLU A 1 52 ? 19.096 -1.222 -24.274 1.00 35.02 ? 152 GLU A O 1 ATOM 345 C CB . GLU A 1 52 ? 17.958 0.316 -26.602 1.00 35.76 ? 152 GLU A CB 1 ATOM 346 C CG . GLU A 1 52 ? 18.874 1.414 -27.088 1.00 36.78 ? 152 GLU A CG 1 ATOM 347 C CD . GLU A 1 52 ? 18.451 1.909 -28.446 1.00 39.51 ? 152 GLU A CD 1 ATOM 348 O OE1 . GLU A 1 52 ? 18.350 1.063 -29.365 1.00 40.26 ? 152 GLU A OE1 1 ATOM 349 O OE2 . GLU A 1 52 ? 18.190 3.133 -28.592 1.00 40.54 ? 152 GLU A OE2 1 ATOM 350 N N . THR A 1 53 ? 19.385 0.916 -23.591 1.00 34.80 ? 153 THR A N 1 ATOM 351 C CA . THR A 1 53 ? 20.511 0.628 -22.704 1.00 34.40 ? 153 THR A CA 1 ATOM 352 C C . THR A 1 53 ? 20.197 0.996 -21.268 1.00 34.46 ? 153 THR A C 1 ATOM 353 O O . THR A 1 53 ? 20.691 0.367 -20.344 1.00 34.63 ? 153 THR A O 1 ATOM 354 C CB . THR A 1 53 ? 21.783 1.376 -23.119 1.00 34.20 ? 153 THR A CB 1 ATOM 355 O OG1 . THR A 1 53 ? 21.537 2.785 -23.085 1.00 33.63 ? 153 THR A OG1 1 ATOM 356 C CG2 . THR A 1 53 ? 22.221 0.964 -24.519 1.00 34.09 ? 153 THR A CG2 1 ATOM 357 N N . GLY A 1 54 ? 19.375 2.019 -21.080 1.00 34.74 ? 154 GLY A N 1 ATOM 358 C CA . GLY A 1 54 ? 19.020 2.469 -19.738 1.00 34.90 ? 154 GLY A CA 1 ATOM 359 C C . GLY A 1 54 ? 20.021 3.456 -19.165 1.00 34.97 ? 154 GLY A C 1 ATOM 360 O O . GLY A 1 54 ? 20.034 3.702 -17.963 1.00 35.23 ? 154 GLY A O 1 ATOM 361 N N . LYS A 1 55 ? 20.861 4.015 -20.032 1.00 34.94 ? 155 LYS A N 1 ATOM 362 C CA . LYS A 1 55 ? 21.859 5.003 -19.646 1.00 34.79 ? 155 LYS A CA 1 ATOM 363 C C . LYS A 1 55 ? 21.175 6.293 -19.202 1.00 34.96 ? 155 LYS A C 1 ATOM 364 O O . LYS A 1 55 ? 20.175 6.722 -19.794 1.00 35.13 ? 155 LYS A O 1 ATOM 365 C CB . LYS A 1 55 ? 22.784 5.287 -20.830 1.00 34.72 ? 155 LYS A CB 1 ATOM 366 C CG . LYS A 1 55 ? 24.177 5.812 -20.479 1.00 34.23 ? 155 LYS A CG 1 ATOM 367 C CD . LYS A 1 55 ? 24.719 6.819 -21.534 1.00 33.96 ? 155 LYS A CD 1 ATOM 368 C CE . LYS A 1 55 ? 24.671 6.327 -22.983 1.00 32.58 ? 155 LYS A CE 1 ATOM 369 N NZ . LYS A 1 55 ? 25.591 7.117 -23.839 1.00 31.90 ? 155 LYS A NZ 1 ATOM 370 N N . THR A 1 56 ? 21.722 6.894 -18.151 1.00 35.06 ? 156 THR A N 1 ATOM 371 C CA . THR A 1 56 ? 21.232 8.158 -17.608 1.00 34.96 ? 156 THR A CA 1 ATOM 372 C C . THR A 1 56 ? 22.298 9.212 -17.831 1.00 35.02 ? 156 THR A C 1 ATOM 373 O O . THR A 1 56 ? 23.415 8.891 -18.249 1.00 35.10 ? 156 THR A O 1 ATOM 374 C CB . THR A 1 56 ? 20.985 8.051 -16.100 1.00 34.86 ? 156 THR A CB 1 ATOM 375 O OG1 . THR A 1 56 ? 22.219 7.737 -15.449 1.00 34.70 ? 156 THR A OG1 1 ATOM 376 C CG2 . THR A 1 56 ? 19.956 6.969 -15.779 1.00 34.11 ? 156 THR A CG2 1 ATOM 377 N N . CYS A 1 57 ? 21.970 10.463 -17.542 1.00 35.09 ? 157 CYS A N 1 ATOM 378 C CA . CYS A 1 57 ? 22.937 11.544 -17.716 1.00 35.66 ? 157 CYS A CA 1 ATOM 379 C C . CYS A 1 57 ? 24.183 11.332 -16.857 1.00 35.90 ? 157 CYS A C 1 ATOM 380 O O . CYS A 1 57 ? 25.310 11.544 -17.315 1.00 36.18 ? 157 CYS A O 1 ATOM 381 C CB . CYS A 1 57 ? 22.293 12.887 -17.419 1.00 35.50 ? 157 CYS A CB 1 ATOM 382 S SG . CYS A 1 57 ? 21.041 12.750 -16.162 1.00 36.27 ? 157 CYS A SG 1 ATOM 383 N N . LEU A 1 58 ? 23.975 10.914 -15.613 1.00 36.12 ? 158 LEU A N 1 ATOM 384 C CA . LEU A 1 58 ? 25.080 10.576 -14.724 1.00 36.17 ? 158 LEU A CA 1 ATOM 385 C C . LEU A 1 58 ? 26.003 9.542 -15.360 1.00 36.66 ? 158 LEU A C 1 ATOM 386 O O . LEU A 1 58 ? 27.226 9.641 -15.259 1.00 36.92 ? 158 LEU A O 1 ATOM 387 C CB . LEU A 1 58 ? 24.552 10.056 -13.385 1.00 35.88 ? 158 LEU A CB 1 ATOM 388 C CG . LEU A 1 58 ? 25.536 10.076 -12.214 1.00 34.90 ? 158 LEU A CG 1 ATOM 389 C CD1 . LEU A 1 58 ? 25.365 8.838 -11.347 1.00 32.81 ? 158 LEU A CD1 1 ATOM 390 C CD2 . LEU A 1 58 ? 26.967 10.190 -12.716 1.00 33.58 ? 158 LEU A CD2 1 ATOM 391 N N . LEU A 1 59 ? 25.409 8.550 -16.015 1.00 36.62 ? 159 LEU A N 1 ATOM 392 C CA . LEU A 1 59 ? 26.168 7.525 -16.696 1.00 36.33 ? 159 LEU A CA 1 ATOM 393 C C . LEU A 1 59 ? 26.876 8.066 -17.954 1.00 36.42 ? 159 LEU A C 1 ATOM 394 O O . LEU A 1 59 ? 28.060 7.765 -18.163 1.00 36.36 ? 159 LEU A O 1 ATOM 395 C CB . LEU A 1 59 ? 25.288 6.299 -16.961 1.00 36.21 ? 159 LEU A CB 1 ATOM 396 C CG . LEU A 1 59 ? 25.202 5.303 -15.776 1.00 35.68 ? 159 LEU A CG 1 ATOM 397 C CD1 . LEU A 1 59 ? 24.082 4.296 -15.957 1.00 35.12 ? 159 LEU A CD1 1 ATOM 398 C CD2 . LEU A 1 59 ? 26.506 4.557 -15.524 1.00 34.87 ? 159 LEU A CD2 1 ATOM 399 N N . LYS A 1 60 ? 26.185 8.890 -18.755 1.00 36.13 ? 160 LYS A N 1 ATOM 400 C CA . LYS A 1 60 ? 26.844 9.619 -19.859 1.00 35.98 ? 160 LYS A CA 1 ATOM 401 C C . LYS A 1 60 ? 28.052 10.402 -19.323 1.00 35.96 ? 160 LYS A C 1 ATOM 402 O O . LYS A 1 60 ? 29.141 10.368 -19.918 1.00 36.14 ? 160 LYS A O 1 ATOM 403 C CB . LYS A 1 60 ? 25.860 10.545 -20.602 1.00 35.89 ? 160 LYS A CB 1 ATOM 404 C CG . LYS A 1 60 ? 26.484 11.564 -21.605 1.00 36.01 ? 160 LYS A CG 1 ATOM 405 C CD . LYS A 1 60 ? 26.659 11.048 -23.045 1.00 35.78 ? 160 LYS A CD 1 ATOM 406 C CE . LYS A 1 60 ? 27.083 12.198 -23.990 1.00 36.47 ? 160 LYS A CE 1 ATOM 407 N NZ . LYS A 1 60 ? 27.149 11.882 -25.463 1.00 35.72 ? 160 LYS A NZ 1 ATOM 408 N N . ALA A 1 61 ? 27.849 11.081 -18.187 1.00 35.51 ? 161 ALA A N 1 ATOM 409 C CA . ALA A 1 61 ? 28.902 11.825 -17.516 1.00 34.75 ? 161 ALA A CA 1 ATOM 410 C C . ALA A 1 61 ? 30.024 10.898 -17.142 1.00 34.59 ? 161 ALA A C 1 ATOM 411 O O . ALA A 1 61 ? 31.171 11.290 -17.211 1.00 34.45 ? 161 ALA A O 1 ATOM 412 C CB . ALA A 1 61 ? 28.369 12.513 -16.294 1.00 34.65 ? 161 ALA A CB 1 HETATM 413 N N . MSE A 1 62 ? 29.691 9.666 -16.768 1.00 34.65 ? 162 MSE A N 1 HETATM 414 C CA . MSE A 1 62 ? 30.708 8.698 -16.347 1.00 35.39 ? 162 MSE A CA 1 HETATM 415 C C . MSE A 1 62 ? 31.589 8.255 -17.529 1.00 35.59 ? 162 MSE A C 1 HETATM 416 O O . MSE A 1 62 ? 32.777 7.922 -17.378 1.00 35.17 ? 162 MSE A O 1 HETATM 417 C CB . MSE A 1 62 ? 30.075 7.491 -15.614 1.00 35.86 ? 162 MSE A CB 1 HETATM 418 C CG . MSE A 1 62 ? 29.581 7.757 -14.164 1.00 36.70 ? 162 MSE A CG 1 HETATM 419 SE SE . MSE A 1 62 ? 30.933 8.494 -12.878 1.00 38.85 ? 162 MSE A SE 1 HETATM 420 C CE . MSE A 1 62 ? 29.720 9.481 -11.783 1.00 39.42 ? 162 MSE A CE 1 ATOM 421 N N . LEU A 1 63 ? 30.995 8.269 -18.717 1.00 36.12 ? 163 LEU A N 1 ATOM 422 C CA . LEU A 1 63 ? 31.714 7.928 -19.946 1.00 36.33 ? 163 LEU A CA 1 ATOM 423 C C . LEU A 1 63 ? 32.489 9.143 -20.486 1.00 36.44 ? 163 LEU A C 1 ATOM 424 O O . LEU A 1 63 ? 33.624 9.031 -20.994 1.00 36.08 ? 163 LEU A O 1 ATOM 425 C CB . LEU A 1 63 ? 30.741 7.345 -20.986 1.00 36.17 ? 163 LEU A CB 1 ATOM 426 C CG . LEU A 1 63 ? 30.197 5.903 -20.775 1.00 36.17 ? 163 LEU A CG 1 ATOM 427 C CD1 . LEU A 1 63 ? 31.197 4.933 -20.124 1.00 34.89 ? 163 LEU A CD1 1 ATOM 428 C CD2 . LEU A 1 63 ? 28.896 5.852 -20.003 1.00 35.51 ? 163 LEU A CD2 1 ATOM 429 N N . ASN A 1 64 ? 31.883 10.311 -20.320 1.00 36.57 ? 164 ASN A N 1 ATOM 430 C CA . ASN A 1 64 ? 32.486 11.537 -20.772 1.00 36.87 ? 164 ASN A CA 1 ATOM 431 C C . ASN A 1 64 ? 33.329 12.182 -19.681 1.00 37.10 ? 164 ASN A C 1 ATOM 432 O O . ASN A 1 64 ? 33.053 13.288 -19.213 1.00 37.34 ? 164 ASN A O 1 ATOM 433 C CB . ASN A 1 64 ? 31.414 12.451 -21.343 1.00 36.85 ? 164 ASN A CB 1 ATOM 434 C CG . ASN A 1 64 ? 30.689 11.807 -22.503 1.00 36.87 ? 164 ASN A CG 1 ATOM 435 O OD1 . ASN A 1 64 ? 30.766 12.281 -23.627 1.00 37.87 ? 164 ASN A OD1 1 ATOM 436 N ND2 . ASN A 1 64 ? 30.009 10.699 -22.244 1.00 36.36 ? 164 ASN A ND2 1 ATOM 437 N N . LEU A 1 65 ? 34.364 11.457 -19.277 1.00 37.40 ? 165 LEU A N 1 ATOM 438 C CA . LEU A 1 65 ? 35.363 11.992 -18.378 1.00 37.89 ? 165 LEU A CA 1 ATOM 439 C C . LEU A 1 65 ? 36.436 12.754 -19.141 1.00 38.56 ? 165 LEU A C 1 ATOM 440 O O . LEU A 1 65 ? 36.840 12.357 -20.233 1.00 38.82 ? 165 LEU A O 1 ATOM 441 C CB . LEU A 1 65 ? 36.027 10.866 -17.605 1.00 37.65 ? 165 LEU A CB 1 ATOM 442 C CG . LEU A 1 65 ? 35.206 10.253 -16.480 1.00 37.04 ? 165 LEU A CG 1 ATOM 443 C CD1 . LEU A 1 65 ? 35.851 8.970 -16.027 1.00 36.11 ? 165 LEU A CD1 1 ATOM 444 C CD2 . LEU A 1 65 ? 35.082 11.225 -15.328 1.00 37.21 ? 165 LEU A CD2 1 ATOM 445 N N . HIS A 1 66 ? 36.883 13.858 -18.556 1.00 39.17 ? 166 HIS A N 1 ATOM 446 C CA . HIS A 1 66 ? 38.082 14.543 -19.005 1.00 39.93 ? 166 HIS A CA 1 ATOM 447 C C . HIS A 1 66 ? 38.989 14.671 -17.775 1.00 39.77 ? 166 HIS A C 1 ATOM 448 O O . HIS A 1 66 ? 38.582 15.235 -16.752 1.00 39.48 ? 166 HIS A O 1 ATOM 449 C CB . HIS A 1 66 ? 37.736 15.913 -19.621 1.00 40.49 ? 166 HIS A CB 1 ATOM 450 C CG . HIS A 1 66 ? 37.798 17.051 -18.646 1.00 42.76 ? 166 HIS A CG 1 ATOM 451 N ND1 . HIS A 1 66 ? 36.912 17.185 -17.594 1.00 45.19 ? 166 HIS A ND1 1 ATOM 452 C CD2 . HIS A 1 66 ? 38.652 18.100 -18.550 1.00 44.83 ? 166 HIS A CD2 1 ATOM 453 C CE1 . HIS A 1 66 ? 37.213 18.268 -16.897 1.00 45.26 ? 166 HIS A CE1 1 ATOM 454 N NE2 . HIS A 1 66 ? 38.264 18.843 -17.457 1.00 45.81 ? 166 HIS A NE2 1 ATOM 455 N N . ASN A 1 67 ? 40.198 14.118 -17.867 1.00 39.93 ? 167 ASN A N 1 ATOM 456 C CA . ASN A 1 67 ? 41.114 14.006 -16.712 1.00 40.26 ? 167 ASN A CA 1 ATOM 457 C C . ASN A 1 67 ? 40.513 13.376 -15.434 1.00 40.12 ? 167 ASN A C 1 ATOM 458 O O . ASN A 1 67 ? 40.729 13.862 -14.317 1.00 39.94 ? 167 ASN A O 1 ATOM 459 C CB . ASN A 1 67 ? 41.795 15.353 -16.416 1.00 40.42 ? 167 ASN A CB 1 ATOM 460 C CG . ASN A 1 67 ? 43.007 15.586 -17.292 1.00 41.13 ? 167 ASN A CG 1 ATOM 461 O OD1 . ASN A 1 67 ? 43.783 14.656 -17.534 1.00 42.31 ? 167 ASN A OD1 1 ATOM 462 N ND2 . ASN A 1 67 ? 43.179 16.821 -17.779 1.00 40.28 ? 167 ASN A ND2 1 ATOM 463 N N . GLY A 1 68 ? 39.778 12.281 -15.620 1.00 40.09 ? 168 GLY A N 1 ATOM 464 C CA . GLY A 1 68 ? 39.053 11.625 -14.539 1.00 40.56 ? 168 GLY A CA 1 ATOM 465 C C . GLY A 1 68 ? 38.135 12.540 -13.750 1.00 40.77 ? 168 GLY A C 1 ATOM 466 O O . GLY A 1 68 ? 37.911 12.310 -12.562 1.00 41.08 ? 168 GLY A O 1 ATOM 467 N N . GLN A 1 69 ? 37.605 13.569 -14.419 1.00 41.30 ? 169 GLN A N 1 ATOM 468 C CA . GLN A 1 69 ? 36.808 14.641 -13.791 1.00 41.41 ? 169 GLN A CA 1 ATOM 469 C C . GLN A 1 69 ? 35.584 15.062 -14.594 1.00 41.42 ? 169 GLN A C 1 ATOM 470 O O . GLN A 1 69 ? 35.587 15.071 -15.827 1.00 40.95 ? 169 GLN A O 1 ATOM 471 C CB . GLN A 1 69 ? 37.658 15.887 -13.505 1.00 41.35 ? 169 GLN A CB 1 ATOM 472 C CG . GLN A 1 69 ? 38.832 15.629 -12.558 1.00 42.21 ? 169 GLN A CG 1 ATOM 473 C CD . GLN A 1 69 ? 38.912 16.613 -11.405 1.00 42.18 ? 169 GLN A CD 1 ATOM 474 O OE1 . GLN A 1 69 ? 38.685 17.816 -11.575 1.00 40.49 ? 169 GLN A OE1 1 ATOM 475 N NE2 . GLN A 1 69 ? 39.236 16.097 -10.213 1.00 41.99 ? 169 GLN A NE2 1 ATOM 476 N N . ASN A 1 70 ? 34.540 15.409 -13.850 1.00 41.86 ? 170 ASN A N 1 ATOM 477 C CA . ASN A 1 70 ? 33.299 15.948 -14.378 1.00 41.99 ? 170 ASN A CA 1 ATOM 478 C C . ASN A 1 70 ? 32.472 16.414 -13.183 1.00 42.39 ? 170 ASN A C 1 ATOM 479 O O . ASN A 1 70 ? 32.230 15.665 -12.231 1.00 42.37 ? 170 ASN A O 1 ATOM 480 C CB . ASN A 1 70 ? 32.547 14.899 -15.198 1.00 42.02 ? 170 ASN A CB 1 ATOM 481 C CG . ASN A 1 70 ? 31.651 15.509 -16.242 1.00 41.88 ? 170 ASN A CG 1 ATOM 482 O OD1 . ASN A 1 70 ? 31.268 16.674 -16.129 1.00 43.57 ? 170 ASN A OD1 1 ATOM 483 N ND2 . ASN A 1 70 ? 31.315 14.733 -17.275 1.00 39.96 ? 170 ASN A ND2 1 ATOM 484 N N . ASP A 1 71 ? 32.088 17.682 -13.209 1.00 42.77 ? 171 ASP A N 1 ATOM 485 C CA . ASP A 1 71 ? 31.324 18.262 -12.104 1.00 42.88 ? 171 ASP A CA 1 ATOM 486 C C . ASP A 1 71 ? 29.866 18.432 -12.518 1.00 42.46 ? 171 ASP A C 1 ATOM 487 O O . ASP A 1 71 ? 29.027 18.910 -11.736 1.00 42.86 ? 171 ASP A O 1 ATOM 488 C CB . ASP A 1 71 ? 31.941 19.592 -11.634 1.00 43.08 ? 171 ASP A CB 1 ATOM 489 C CG . ASP A 1 71 ? 32.584 20.365 -12.766 1.00 43.49 ? 171 ASP A CG 1 ATOM 490 O OD1 . ASP A 1 71 ? 32.122 20.241 -13.928 1.00 43.15 ? 171 ASP A OD1 1 ATOM 491 O OD2 . ASP A 1 71 ? 33.561 21.091 -12.486 1.00 44.73 ? 171 ASP A OD2 1 ATOM 492 N N . THR A 1 72 ? 29.573 18.037 -13.753 1.00 41.40 ? 172 THR A N 1 ATOM 493 C CA . THR A 1 72 ? 28.204 17.788 -14.150 1.00 40.37 ? 172 THR A CA 1 ATOM 494 C C . THR A 1 72 ? 27.651 16.691 -13.243 1.00 39.69 ? 172 THR A C 1 ATOM 495 O O . THR A 1 72 ? 26.474 16.710 -12.886 1.00 39.48 ? 172 THR A O 1 ATOM 496 C CB . THR A 1 72 ? 28.126 17.424 -15.637 1.00 40.48 ? 172 THR A CB 1 ATOM 497 O OG1 . THR A 1 72 ? 27.708 18.579 -16.374 1.00 40.49 ? 172 THR A OG1 1 ATOM 498 C CG2 . THR A 1 72 ? 27.149 16.294 -15.891 1.00 40.10 ? 172 THR A CG2 1 ATOM 499 N N . ILE A 1 73 ? 28.528 15.768 -12.845 1.00 38.95 ? 173 ILE A N 1 ATOM 500 C CA . ILE A 1 73 ? 28.197 14.727 -11.874 1.00 38.33 ? 173 ILE A CA 1 ATOM 501 C C . ILE A 1 73 ? 27.726 15.349 -10.567 1.00 38.15 ? 173 ILE A C 1 ATOM 502 O O . ILE A 1 73 ? 26.574 15.158 -10.173 1.00 38.38 ? 173 ILE A O 1 ATOM 503 C CB . ILE A 1 73 ? 29.398 13.798 -11.599 1.00 38.30 ? 173 ILE A CB 1 ATOM 504 C CG1 . ILE A 1 73 ? 29.847 13.117 -12.894 1.00 38.45 ? 173 ILE A CG1 1 ATOM 505 C CG2 . ILE A 1 73 ? 29.038 12.770 -10.552 1.00 37.36 ? 173 ILE A CG2 1 ATOM 506 C CD1 . ILE A 1 73 ? 31.224 12.508 -12.837 1.00 39.06 ? 173 ILE A CD1 1 ATOM 507 N N . ALA A 1 74 ? 28.615 16.104 -9.918 1.00 37.74 ? 174 ALA A N 1 ATOM 508 C CA . ALA A 1 74 ? 28.307 16.804 -8.666 1.00 37.19 ? 174 ALA A CA 1 ATOM 509 C C . ALA A 1 74 ? 27.003 17.605 -8.731 1.00 36.85 ? 174 ALA A C 1 ATOM 510 O O . ALA A 1 74 ? 26.199 17.559 -7.803 1.00 36.82 ? 174 ALA A O 1 ATOM 511 C CB . ALA A 1 74 ? 29.466 17.698 -8.259 1.00 37.22 ? 174 ALA A CB 1 ATOM 512 N N . LEU A 1 75 ? 26.796 18.327 -9.828 1.00 36.44 ? 175 LEU A N 1 ATOM 513 C CA . LEU A 1 75 ? 25.546 19.052 -10.037 1.00 36.17 ? 175 LEU A CA 1 ATOM 514 C C . LEU A 1 75 ? 24.393 18.084 -10.279 1.00 36.04 ? 175 LEU A C 1 ATOM 515 O O . LEU A 1 75 ? 23.307 18.275 -9.749 1.00 36.01 ? 175 LEU A O 1 ATOM 516 C CB . LEU A 1 75 ? 25.668 20.040 -11.204 1.00 36.01 ? 175 LEU A CB 1 ATOM 517 C CG . LEU A 1 75 ? 24.431 20.850 -11.627 1.00 36.00 ? 175 LEU A CG 1 ATOM 518 C CD1 . LEU A 1 75 ? 24.823 22.223 -12.175 1.00 36.04 ? 175 LEU A CD1 1 ATOM 519 C CD2 . LEU A 1 75 ? 23.552 20.107 -12.632 1.00 35.70 ? 175 LEU A CD2 1 ATOM 520 N N . LEU A 1 76 ? 24.628 17.053 -11.083 1.00 35.86 ? 176 LEU A N 1 ATOM 521 C CA . LEU A 1 76 ? 23.563 16.126 -11.429 1.00 35.77 ? 176 LEU A CA 1 ATOM 522 C C . LEU A 1 76 ? 23.019 15.421 -10.202 1.00 36.05 ? 176 LEU A C 1 ATOM 523 O O . LEU A 1 76 ? 21.797 15.354 -10.016 1.00 36.32 ? 176 LEU A O 1 ATOM 524 C CB . LEU A 1 76 ? 24.021 15.124 -12.482 1.00 35.73 ? 176 LEU A CB 1 ATOM 525 C CG . LEU A 1 76 ? 23.425 15.249 -13.893 1.00 35.73 ? 176 LEU A CG 1 ATOM 526 C CD1 . LEU A 1 76 ? 23.303 16.695 -14.384 1.00 36.17 ? 176 LEU A CD1 1 ATOM 527 C CD2 . LEU A 1 76 ? 24.216 14.407 -14.880 1.00 35.23 ? 176 LEU A CD2 1 ATOM 528 N N . LEU A 1 77 ? 23.925 14.921 -9.363 1.00 36.01 ? 177 LEU A N 1 ATOM 529 C CA . LEU A 1 77 ? 23.560 14.321 -8.081 1.00 35.94 ? 177 LEU A CA 1 ATOM 530 C C . LEU A 1 77 ? 22.770 15.315 -7.226 1.00 35.94 ? 177 LEU A C 1 ATOM 531 O O . LEU A 1 77 ? 21.667 15.018 -6.763 1.00 35.94 ? 177 LEU A O 1 ATOM 532 C CB . LEU A 1 77 ? 24.811 13.905 -7.329 1.00 35.77 ? 177 LEU A CB 1 ATOM 533 C CG . LEU A 1 77 ? 25.643 12.787 -7.944 1.00 36.71 ? 177 LEU A CG 1 ATOM 534 C CD1 . LEU A 1 77 ? 27.097 13.000 -7.587 1.00 37.94 ? 177 LEU A CD1 1 ATOM 535 C CD2 . LEU A 1 77 ? 25.173 11.395 -7.492 1.00 36.76 ? 177 LEU A CD2 1 ATOM 536 N N . ASP A 1 78 ? 23.349 16.495 -7.029 1.00 35.85 ? 178 ASP A N 1 ATOM 537 C CA . ASP A 1 78 ? 22.736 17.563 -6.243 1.00 35.71 ? 178 ASP A CA 1 ATOM 538 C C . ASP A 1 78 ? 21.260 17.761 -6.627 1.00 35.58 ? 178 ASP A C 1 ATOM 539 O O . ASP A 1 78 ? 20.390 17.833 -5.760 1.00 35.51 ? 178 ASP A O 1 ATOM 540 C CB . ASP A 1 78 ? 23.563 18.850 -6.409 1.00 35.80 ? 178 ASP A CB 1 ATOM 541 C CG . ASP A 1 78 ? 22.847 20.104 -5.899 1.00 36.26 ? 178 ASP A CG 1 ATOM 542 O OD1 . ASP A 1 78 ? 22.371 20.892 -6.756 1.00 36.16 ? 178 ASP A OD1 1 ATOM 543 O OD2 . ASP A 1 78 ? 22.784 20.311 -4.661 1.00 35.29 ? 178 ASP A OD2 1 ATOM 544 N N . VAL A 1 79 ? 20.992 17.810 -7.928 1.00 35.46 ? 179 VAL A N 1 ATOM 545 C CA . VAL A 1 79 ? 19.641 17.958 -8.458 1.00 35.16 ? 179 VAL A CA 1 ATOM 546 C C . VAL A 1 79 ? 18.748 16.778 -8.066 1.00 35.18 ? 179 VAL A C 1 ATOM 547 O O . VAL A 1 79 ? 17.547 16.951 -7.838 1.00 35.06 ? 179 VAL A O 1 ATOM 548 C CB . VAL A 1 79 ? 19.682 18.095 -9.994 1.00 35.14 ? 179 VAL A CB 1 ATOM 549 C CG1 . VAL A 1 79 ? 18.281 18.269 -10.574 1.00 35.18 ? 179 VAL A CG1 1 ATOM 550 C CG2 . VAL A 1 79 ? 20.570 19.262 -10.398 1.00 35.25 ? 179 VAL A CG2 1 ATOM 551 N N . ALA A 1 80 ? 19.335 15.584 -7.985 1.00 35.23 ? 180 ALA A N 1 ATOM 552 C CA . ALA A 1 80 ? 18.555 14.372 -7.751 1.00 35.31 ? 180 ALA A CA 1 ATOM 553 C C . ALA A 1 80 ? 18.086 14.248 -6.313 1.00 35.56 ? 180 ALA A C 1 ATOM 554 O O . ALA A 1 80 ? 17.081 13.604 -6.059 1.00 35.54 ? 180 ALA A O 1 ATOM 555 C CB . ALA A 1 80 ? 19.320 13.146 -8.173 1.00 35.14 ? 180 ALA A CB 1 ATOM 556 N N . ARG A 1 81 ? 18.816 14.870 -5.386 1.00 36.06 ? 181 ARG A N 1 ATOM 557 C CA . ARG A 1 81 ? 18.463 14.883 -3.957 1.00 36.48 ? 181 ARG A CA 1 ATOM 558 C C . ARG A 1 81 ? 17.378 15.914 -3.687 1.00 36.43 ? 181 ARG A C 1 ATOM 559 O O . ARG A 1 81 ? 16.448 15.668 -2.921 1.00 36.41 ? 181 ARG A O 1 ATOM 560 C CB . ARG A 1 81 ? 19.696 15.201 -3.110 1.00 36.56 ? 181 ARG A CB 1 ATOM 561 C CG . ARG A 1 81 ? 19.591 14.844 -1.618 1.00 38.34 ? 181 ARG A CG 1 ATOM 562 C CD . ARG A 1 81 ? 20.988 14.486 -1.085 1.00 40.56 ? 181 ARG A CD 1 ATOM 563 N NE . ARG A 1 81 ? 21.060 14.151 0.342 1.00 41.47 ? 181 ARG A NE 1 ATOM 564 C CZ . ARG A 1 81 ? 22.026 13.402 0.885 1.00 41.93 ? 181 ARG A CZ 1 ATOM 565 N NH1 . ARG A 1 81 ? 22.991 12.886 0.127 1.00 41.08 ? 181 ARG A NH1 1 ATOM 566 N NH2 . ARG A 1 81 ? 22.025 13.152 2.190 1.00 42.12 ? 181 ARG A NH2 1 ATOM 567 N N . LYS A 1 82 ? 17.510 17.072 -4.327 1.00 36.57 ? 182 LYS A N 1 ATOM 568 C CA . LYS A 1 82 ? 16.520 18.139 -4.256 1.00 36.73 ? 182 LYS A CA 1 ATOM 569 C C . LYS A 1 82 ? 15.137 17.647 -4.694 1.00 36.99 ? 182 LYS A C 1 ATOM 570 O O . LYS A 1 82 ? 14.104 18.158 -4.249 1.00 36.79 ? 182 LYS A O 1 ATOM 571 C CB . LYS A 1 82 ? 16.962 19.307 -5.140 1.00 36.57 ? 182 LYS A CB 1 ATOM 572 C CG . LYS A 1 82 ? 18.388 19.818 -4.886 1.00 36.43 ? 182 LYS A CG 1 ATOM 573 C CD . LYS A 1 82 ? 18.501 20.726 -3.654 1.00 36.39 ? 182 LYS A CD 1 ATOM 574 C CE . LYS A 1 82 ? 19.830 21.477 -3.649 1.00 35.68 ? 182 LYS A CE 1 ATOM 575 N NZ . LYS A 1 82 ? 20.079 22.202 -2.353 1.00 34.87 ? 182 LYS A NZ 1 ATOM 576 N N . THR A 1 83 ? 15.127 16.649 -5.571 1.00 37.47 ? 183 THR A N 1 ATOM 577 C CA . THR A 1 83 ? 13.918 15.880 -5.843 1.00 37.98 ? 183 THR A CA 1 ATOM 578 C C . THR A 1 83 ? 13.986 14.498 -5.202 1.00 38.46 ? 183 THR A C 1 ATOM 579 O O . THR A 1 83 ? 13.038 13.718 -5.284 1.00 38.34 ? 183 THR A O 1 ATOM 580 C CB . THR A 1 83 ? 13.692 15.749 -7.361 1.00 38.05 ? 183 THR A CB 1 ATOM 581 O OG1 . THR A 1 83 ? 13.685 17.051 -7.960 1.00 37.57 ? 183 THR A OG1 1 ATOM 582 C CG2 . THR A 1 83 ? 12.293 15.225 -7.648 1.00 38.42 ? 183 THR A CG2 1 ATOM 583 N N . ASP A 1 84 ? 15.114 14.202 -4.564 1.00 39.17 ? 184 ASP A N 1 ATOM 584 C CA . ASP A 1 84 ? 15.294 12.928 -3.878 1.00 39.96 ? 184 ASP A CA 1 ATOM 585 C C . ASP A 1 84 ? 15.090 11.756 -4.832 1.00 40.03 ? 184 ASP A C 1 ATOM 586 O O . ASP A 1 84 ? 14.741 10.653 -4.409 1.00 40.00 ? 184 ASP A O 1 ATOM 587 C CB . ASP A 1 84 ? 14.332 12.817 -2.694 1.00 40.31 ? 184 ASP A CB 1 ATOM 588 C CG . ASP A 1 84 ? 14.625 13.834 -1.608 1.00 40.76 ? 184 ASP A CG 1 ATOM 589 O OD1 . ASP A 1 84 ? 15.798 13.943 -1.194 1.00 39.89 ? 184 ASP A OD1 1 ATOM 590 O OD2 . ASP A 1 84 ? 13.746 14.567 -1.109 1.00 42.31 ? 184 ASP A OD2 1 ATOM 591 N N . SER A 1 85 ? 15.310 12.001 -6.119 1.00 40.19 ? 185 SER A N 1 ATOM 592 C CA . SER A 1 85 ? 15.499 10.939 -7.069 1.00 40.37 ? 185 SER A CA 1 ATOM 593 C C . SER A 1 85 ? 16.755 10.233 -6.601 1.00 40.21 ? 185 SER A C 1 ATOM 594 O O . SER A 1 85 ? 17.133 9.200 -7.149 1.00 40.14 ? 185 SER A O 1 ATOM 595 C CB . SER A 1 85 ? 15.766 11.528 -8.450 1.00 40.49 ? 185 SER A CB 1 ATOM 596 O OG . SER A 1 85 ? 14.945 12.659 -8.713 1.00 41.79 ? 185 SER A OG 1 ATOM 597 N N . LEU A 1 86 ? 17.376 10.789 -5.560 1.00 40.20 ? 186 LEU A N 1 ATOM 598 C CA . LEU A 1 86 ? 18.776 10.513 -5.242 1.00 40.37 ? 186 LEU A CA 1 ATOM 599 C C . LEU A 1 86 ? 19.198 9.051 -5.315 1.00 40.39 ? 186 LEU A C 1 ATOM 600 O O . LEU A 1 86 ? 20.092 8.725 -6.092 1.00 40.42 ? 186 LEU A O 1 ATOM 601 C CB . LEU A 1 86 ? 19.211 11.163 -3.914 1.00 40.46 ? 186 LEU A CB 1 ATOM 602 C CG . LEU A 1 86 ? 20.700 11.162 -3.479 1.00 40.21 ? 186 LEU A CG 1 ATOM 603 C CD1 . LEU A 1 86 ? 21.006 10.008 -2.514 1.00 40.57 ? 186 LEU A CD1 1 ATOM 604 C CD2 . LEU A 1 86 ? 21.730 11.207 -4.642 1.00 38.50 ? 186 LEU A CD2 1 ATOM 605 N N . LYS A 1 87 ? 18.570 8.176 -4.536 1.00 40.55 ? 187 LYS A N 1 ATOM 606 C CA . LYS A 1 87 ? 19.055 6.790 -4.462 1.00 40.80 ? 187 LYS A CA 1 ATOM 607 C C . LYS A 1 87 ? 18.940 6.021 -5.781 1.00 40.74 ? 187 LYS A C 1 ATOM 608 O O . LYS A 1 87 ? 19.930 5.418 -6.237 1.00 40.82 ? 187 LYS A O 1 ATOM 609 C CB . LYS A 1 87 ? 18.423 6.004 -3.299 1.00 40.98 ? 187 LYS A CB 1 ATOM 610 C CG . LYS A 1 87 ? 19.314 5.912 -2.046 1.00 41.47 ? 187 LYS A CG 1 ATOM 611 C CD . LYS A 1 87 ? 19.204 4.538 -1.355 1.00 42.38 ? 187 LYS A CD 1 ATOM 612 C CE . LYS A 1 87 ? 20.559 4.089 -0.759 1.00 42.11 ? 187 LYS A CE 1 ATOM 613 N NZ . LYS A 1 87 ? 20.838 2.617 -0.887 1.00 40.37 ? 187 LYS A NZ 1 ATOM 614 N N . GLN A 1 88 ? 17.754 6.054 -6.396 1.00 40.45 ? 188 GLN A N 1 ATOM 615 C CA . GLN A 1 88 ? 17.513 5.283 -7.625 1.00 40.16 ? 188 GLN A CA 1 ATOM 616 C C . GLN A 1 88 ? 18.230 5.894 -8.816 1.00 39.54 ? 188 GLN A C 1 ATOM 617 O O . GLN A 1 88 ? 18.418 5.240 -9.835 1.00 39.50 ? 188 GLN A O 1 ATOM 618 C CB . GLN A 1 88 ? 16.012 5.050 -7.904 1.00 40.13 ? 188 GLN A CB 1 ATOM 619 C CG . GLN A 1 88 ? 15.208 6.286 -8.276 1.00 41.25 ? 188 GLN A CG 1 ATOM 620 C CD . GLN A 1 88 ? 14.466 6.939 -7.092 1.00 42.68 ? 188 GLN A CD 1 ATOM 621 O OE1 . GLN A 1 88 ? 13.445 7.613 -7.291 1.00 42.44 ? 188 GLN A OE1 1 ATOM 622 N NE2 . GLN A 1 88 ? 14.976 6.749 -5.865 1.00 42.41 ? 188 GLN A NE2 1 ATOM 623 N N . PHE A 1 89 ? 18.645 7.147 -8.663 1.00 38.99 ? 189 PHE A N 1 ATOM 624 C CA . PHE A 1 89 ? 19.400 7.841 -9.692 1.00 38.81 ? 189 PHE A CA 1 ATOM 625 C C . PHE A 1 89 ? 20.835 7.331 -9.743 1.00 38.59 ? 189 PHE A C 1 ATOM 626 O O . PHE A 1 89 ? 21.310 6.873 -10.787 1.00 38.55 ? 189 PHE A O 1 ATOM 627 C CB . PHE A 1 89 ? 19.369 9.354 -9.447 1.00 38.95 ? 189 PHE A CB 1 ATOM 628 C CG . PHE A 1 89 ? 20.187 10.147 -10.425 1.00 39.33 ? 189 PHE A CG 1 ATOM 629 C CD1 . PHE A 1 89 ? 19.856 10.168 -11.780 1.00 39.49 ? 189 PHE A CD1 1 ATOM 630 C CD2 . PHE A 1 89 ? 21.289 10.878 -9.994 1.00 39.95 ? 189 PHE A CD2 1 ATOM 631 C CE1 . PHE A 1 89 ? 20.619 10.893 -12.690 1.00 38.80 ? 189 PHE A CE1 1 ATOM 632 C CE2 . PHE A 1 89 ? 22.057 11.616 -10.898 1.00 39.89 ? 189 PHE A CE2 1 ATOM 633 C CZ . PHE A 1 89 ? 21.720 11.620 -12.247 1.00 39.21 ? 189 PHE A CZ 1 ATOM 634 N N . VAL A 1 90 ? 21.511 7.402 -8.600 1.00 38.37 ? 190 VAL A N 1 ATOM 635 C CA . VAL A 1 90 ? 22.883 6.920 -8.445 1.00 37.89 ? 190 VAL A CA 1 ATOM 636 C C . VAL A 1 90 ? 22.982 5.391 -8.636 1.00 37.68 ? 190 VAL A C 1 ATOM 637 O O . VAL A 1 90 ? 24.071 4.855 -8.865 1.00 37.45 ? 190 VAL A O 1 ATOM 638 C CB . VAL A 1 90 ? 23.448 7.350 -7.061 1.00 37.71 ? 190 VAL A CB 1 ATOM 639 C CG1 . VAL A 1 90 ? 23.169 6.293 -6.012 1.00 38.04 ? 190 VAL A CG1 1 ATOM 640 C CG2 . VAL A 1 90 ? 24.925 7.633 -7.138 1.00 37.74 ? 190 VAL A CG2 1 ATOM 641 N N . ASN A 1 91 ? 21.843 4.699 -8.556 1.00 37.40 ? 191 ASN A N 1 ATOM 642 C CA . ASN A 1 91 ? 21.826 3.242 -8.664 1.00 37.11 ? 191 ASN A CA 1 ATOM 643 C C . ASN A 1 91 ? 21.186 2.651 -9.908 1.00 37.21 ? 191 ASN A C 1 ATOM 644 O O . ASN A 1 91 ? 20.948 1.443 -9.958 1.00 37.84 ? 191 ASN A O 1 ATOM 645 C CB . ASN A 1 91 ? 21.192 2.621 -7.425 1.00 36.76 ? 191 ASN A CB 1 ATOM 646 C CG . ASN A 1 91 ? 22.121 2.632 -6.260 1.00 35.80 ? 191 ASN A CG 1 ATOM 647 O OD1 . ASN A 1 91 ? 23.320 2.466 -6.417 1.00 35.13 ? 191 ASN A OD1 1 ATOM 648 N ND2 . ASN A 1 91 ? 21.581 2.846 -5.080 1.00 35.40 ? 191 ASN A ND2 1 ATOM 649 N N . ALA A 1 92 ? 20.911 3.476 -10.908 1.00 36.96 ? 192 ALA A N 1 ATOM 650 C CA . ALA A 1 92 ? 20.308 2.971 -12.138 1.00 37.11 ? 192 ALA A CA 1 ATOM 651 C C . ALA A 1 92 ? 21.316 2.129 -12.935 1.00 37.09 ? 192 ALA A C 1 ATOM 652 O O . ALA A 1 92 ? 22.499 2.463 -13.002 1.00 37.24 ? 192 ALA A O 1 ATOM 653 C CB . ALA A 1 92 ? 19.776 4.116 -12.973 1.00 37.17 ? 192 ALA A CB 1 ATOM 654 N N . SER A 1 93 ? 20.848 1.037 -13.527 1.00 36.86 ? 193 SER A N 1 ATOM 655 C CA . SER A 1 93 ? 21.744 0.121 -14.219 1.00 36.74 ? 193 SER A CA 1 ATOM 656 C C . SER A 1 93 ? 21.431 -0.043 -15.699 1.00 36.48 ? 193 SER A C 1 ATOM 657 O O . SER A 1 93 ? 20.319 0.206 -16.130 1.00 36.45 ? 193 SER A O 1 ATOM 658 C CB . SER A 1 93 ? 21.777 -1.244 -13.514 1.00 36.98 ? 193 SER A CB 1 ATOM 659 O OG . SER A 1 93 ? 20.484 -1.700 -13.155 1.00 37.36 ? 193 SER A OG 1 ATOM 660 N N . TYR A 1 94 ? 22.436 -0.461 -16.466 1.00 36.53 ? 194 TYR A N 1 ATOM 661 C CA . TYR A 1 94 ? 22.275 -0.798 -17.885 1.00 36.19 ? 194 TYR A CA 1 ATOM 662 C C . TYR A 1 94 ? 21.330 -1.991 -18.046 1.00 36.04 ? 194 TYR A C 1 ATOM 663 O O . TYR A 1 94 ? 21.277 -2.865 -17.185 1.00 36.20 ? 194 TYR A O 1 ATOM 664 C CB . TYR A 1 94 ? 23.640 -1.119 -18.528 1.00 36.12 ? 194 TYR A CB 1 ATOM 665 C CG . TYR A 1 94 ? 24.419 0.083 -19.032 1.00 35.33 ? 194 TYR A CG 1 ATOM 666 C CD1 . TYR A 1 94 ? 25.257 0.795 -18.181 1.00 34.71 ? 194 TYR A CD1 1 ATOM 667 C CD2 . TYR A 1 94 ? 24.315 0.506 -20.364 1.00 35.22 ? 194 TYR A CD2 1 ATOM 668 C CE1 . TYR A 1 94 ? 25.975 1.909 -18.637 1.00 34.50 ? 194 TYR A CE1 1 ATOM 669 C CE2 . TYR A 1 94 ? 25.026 1.626 -20.833 1.00 34.91 ? 194 TYR A CE2 1 ATOM 670 C CZ . TYR A 1 94 ? 25.863 2.319 -19.957 1.00 35.38 ? 194 TYR A CZ 1 ATOM 671 O OH . TYR A 1 94 ? 26.585 3.425 -20.386 1.00 35.53 ? 194 TYR A OH 1 ATOM 672 N N . THR A 1 95 ? 20.591 -2.028 -19.148 1.00 35.84 ? 195 THR A N 1 ATOM 673 C CA . THR A 1 95 ? 19.644 -3.120 -19.367 1.00 36.01 ? 195 THR A CA 1 ATOM 674 C C . THR A 1 95 ? 19.850 -3.912 -20.674 1.00 35.92 ? 195 THR A C 1 ATOM 675 O O . THR A 1 95 ? 19.242 -4.969 -20.870 1.00 35.93 ? 195 THR A O 1 ATOM 676 C CB . THR A 1 95 ? 18.157 -2.666 -19.189 1.00 36.20 ? 195 THR A CB 1 ATOM 677 O OG1 . THR A 1 95 ? 17.863 -1.544 -20.037 1.00 35.10 ? 195 THR A OG1 1 ATOM 678 C CG2 . THR A 1 95 ? 17.889 -2.301 -17.725 1.00 36.58 ? 195 THR A CG2 1 ATOM 679 N N . ASP A 1 96 ? 20.716 -3.412 -21.549 1.00 35.76 ? 196 ASP A N 1 ATOM 680 C CA . ASP A 1 96 ? 21.071 -4.130 -22.762 1.00 35.82 ? 196 ASP A CA 1 ATOM 681 C C . ASP A 1 96 ? 21.897 -5.363 -22.378 1.00 35.95 ? 196 ASP A C 1 ATOM 682 O O . ASP A 1 96 ? 22.612 -5.341 -21.374 1.00 36.10 ? 196 ASP A O 1 ATOM 683 C CB . ASP A 1 96 ? 21.898 -3.218 -23.651 1.00 35.71 ? 196 ASP A CB 1 ATOM 684 C CG . ASP A 1 96 ? 23.253 -2.899 -23.045 1.00 36.03 ? 196 ASP A CG 1 ATOM 685 O OD1 . ASP A 1 96 ? 23.316 -2.590 -21.824 1.00 34.61 ? 196 ASP A OD1 1 ATOM 686 O OD2 . ASP A 1 96 ? 24.254 -2.986 -23.794 1.00 36.61 ? 196 ASP A OD2 1 ATOM 687 N N . SER A 1 97 ? 21.812 -6.424 -23.174 1.00 35.95 ? 197 SER A N 1 ATOM 688 C CA . SER A 1 97 ? 22.544 -7.660 -22.897 1.00 35.93 ? 197 SER A CA 1 ATOM 689 C C . SER A 1 97 ? 24.041 -7.447 -22.658 1.00 36.26 ? 197 SER A C 1 ATOM 690 O O . SER A 1 97 ? 24.693 -8.228 -21.941 1.00 36.28 ? 197 SER A O 1 ATOM 691 C CB . SER A 1 97 ? 22.356 -8.660 -24.036 1.00 35.96 ? 197 SER A CB 1 ATOM 692 O OG . SER A 1 97 ? 23.028 -8.241 -25.215 1.00 36.01 ? 197 SER A OG 1 ATOM 693 N N . TYR A 1 98 ? 24.595 -6.397 -23.251 1.00 36.30 ? 198 TYR A N 1 ATOM 694 C CA . TYR A 1 98 ? 26.024 -6.170 -23.126 1.00 36.64 ? 198 TYR A CA 1 ATOM 695 C C . TYR A 1 98 ? 26.471 -5.711 -21.719 1.00 36.95 ? 198 TYR A C 1 ATOM 696 O O . TYR A 1 98 ? 27.200 -6.438 -21.013 1.00 37.09 ? 198 TYR A O 1 ATOM 697 C CB . TYR A 1 98 ? 26.537 -5.221 -24.215 1.00 36.52 ? 198 TYR A CB 1 ATOM 698 C CG . TYR A 1 98 ? 28.033 -5.318 -24.416 1.00 36.31 ? 198 TYR A CG 1 ATOM 699 C CD1 . TYR A 1 98 ? 28.639 -6.551 -24.664 1.00 35.55 ? 198 TYR A CD1 1 ATOM 700 C CD2 . TYR A 1 98 ? 28.845 -4.186 -24.346 1.00 36.03 ? 198 TYR A CD2 1 ATOM 701 C CE1 . TYR A 1 98 ? 30.012 -6.661 -24.829 1.00 36.02 ? 198 TYR A CE1 1 ATOM 702 C CE2 . TYR A 1 98 ? 30.233 -4.281 -24.527 1.00 36.49 ? 198 TYR A CE2 1 ATOM 703 C CZ . TYR A 1 98 ? 30.811 -5.530 -24.770 1.00 36.57 ? 198 TYR A CZ 1 ATOM 704 O OH . TYR A 1 98 ? 32.181 -5.657 -24.951 1.00 36.72 ? 198 TYR A OH 1 ATOM 705 N N . TYR A 1 99 ? 26.039 -4.516 -21.318 1.00 36.79 ? 199 TYR A N 1 ATOM 706 C CA . TYR A 1 99 ? 26.538 -3.898 -20.082 1.00 36.52 ? 199 TYR A CA 1 ATOM 707 C C . TYR A 1 99 ? 25.591 -4.138 -18.881 1.00 36.61 ? 199 TYR A C 1 ATOM 708 O O . TYR A 1 99 ? 25.755 -3.530 -17.809 1.00 36.26 ? 199 TYR A O 1 ATOM 709 C CB . TYR A 1 99 ? 26.751 -2.394 -20.309 1.00 36.20 ? 199 TYR A CB 1 ATOM 710 C CG . TYR A 1 99 ? 27.873 -1.976 -21.276 1.00 35.59 ? 199 TYR A CG 1 ATOM 711 C CD1 . TYR A 1 99 ? 29.213 -2.278 -21.004 1.00 35.37 ? 199 TYR A CD1 1 ATOM 712 C CD2 . TYR A 1 99 ? 27.594 -1.220 -22.422 1.00 34.64 ? 199 TYR A CD2 1 ATOM 713 C CE1 . TYR A 1 99 ? 30.243 -1.863 -21.859 1.00 35.42 ? 199 TYR A CE1 1 ATOM 714 C CE2 . TYR A 1 99 ? 28.617 -0.805 -23.290 1.00 35.38 ? 199 TYR A CE2 1 ATOM 715 C CZ . TYR A 1 99 ? 29.942 -1.130 -23.001 1.00 35.59 ? 199 TYR A CZ 1 ATOM 716 O OH . TYR A 1 99 ? 30.958 -0.736 -23.838 1.00 33.62 ? 199 TYR A OH 1 ATOM 717 N N . LYS A 1 100 ? 24.612 -5.031 -19.076 1.00 36.58 ? 200 LYS A N 1 ATOM 718 C CA . LYS A 1 100 ? 23.512 -5.256 -18.132 1.00 36.50 ? 200 LYS A CA 1 ATOM 719 C C . LYS A 1 100 ? 23.972 -5.158 -16.701 1.00 35.94 ? 200 LYS A C 1 ATOM 720 O O . LYS A 1 100 ? 24.973 -5.779 -16.324 1.00 36.20 ? 200 LYS A O 1 ATOM 721 C CB . LYS A 1 100 ? 22.870 -6.629 -18.362 1.00 36.41 ? 200 LYS A CB 1 ATOM 722 C CG . LYS A 1 100 ? 21.639 -6.907 -17.502 1.00 37.14 ? 200 LYS A CG 1 ATOM 723 C CD . LYS A 1 100 ? 21.189 -8.365 -17.636 1.00 37.90 ? 200 LYS A CD 1 ATOM 724 C CE . LYS A 1 100 ? 20.080 -8.722 -16.625 1.00 40.19 ? 200 LYS A CE 1 ATOM 725 N NZ . LYS A 1 100 ? 19.929 -10.198 -16.393 1.00 40.04 ? 200 LYS A NZ 1 ATOM 726 N N . GLY A 1 101 ? 23.244 -4.373 -15.913 1.00 35.28 ? 201 GLY A N 1 ATOM 727 C CA . GLY A 1 101 ? 23.483 -4.291 -14.473 1.00 34.60 ? 201 GLY A CA 1 ATOM 728 C C . GLY A 1 101 ? 24.649 -3.411 -14.052 1.00 33.96 ? 201 GLY A C 1 ATOM 729 O O . GLY A 1 101 ? 24.932 -3.266 -12.853 1.00 33.92 ? 201 GLY A O 1 ATOM 730 N N . GLN A 1 102 ? 25.329 -2.822 -15.030 1.00 33.54 ? 202 GLN A N 1 ATOM 731 C CA . GLN A 1 102 ? 26.363 -1.843 -14.730 1.00 33.55 ? 202 GLN A CA 1 ATOM 732 C C . GLN A 1 102 ? 25.778 -0.531 -14.221 1.00 33.13 ? 202 GLN A C 1 ATOM 733 O O . GLN A 1 102 ? 24.858 0.030 -14.828 1.00 32.30 ? 202 GLN A O 1 ATOM 734 C CB . GLN A 1 102 ? 27.247 -1.569 -15.941 1.00 33.82 ? 202 GLN A CB 1 ATOM 735 C CG . GLN A 1 102 ? 28.339 -0.553 -15.642 1.00 35.34 ? 202 GLN A CG 1 ATOM 736 C CD . GLN A 1 102 ? 29.320 -0.372 -16.780 1.00 36.50 ? 202 GLN A CD 1 ATOM 737 O OE1 . GLN A 1 102 ? 28.942 -0.018 -17.901 1.00 35.00 ? 202 GLN A OE1 1 ATOM 738 N NE2 . GLN A 1 102 ? 30.602 -0.599 -16.488 1.00 36.78 ? 202 GLN A NE2 1 ATOM 739 N N . THR A 1 103 ? 26.356 -0.066 -13.109 1.00 33.20 ? 203 THR A N 1 ATOM 740 C CA . THR A 1 103 ? 26.000 1.182 -12.414 1.00 32.78 ? 203 THR A CA 1 ATOM 741 C C . THR A 1 103 ? 27.153 2.161 -12.556 1.00 32.51 ? 203 THR A C 1 ATOM 742 O O . THR A 1 103 ? 28.247 1.772 -12.937 1.00 32.76 ? 203 THR A O 1 ATOM 743 C CB . THR A 1 103 ? 25.844 0.947 -10.885 1.00 32.65 ? 203 THR A CB 1 ATOM 744 O OG1 . THR A 1 103 ? 27.096 0.507 -10.349 1.00 31.95 ? 203 THR A OG1 1 ATOM 745 C CG2 . THR A 1 103 ? 24.784 -0.078 -10.581 1.00 32.60 ? 203 THR A CG2 1 ATOM 746 N N . ALA A 1 104 ? 26.928 3.421 -12.202 1.00 32.34 ? 204 ALA A N 1 ATOM 747 C CA . ALA A 1 104 ? 28.003 4.403 -12.169 1.00 31.96 ? 204 ALA A CA 1 ATOM 748 C C . ALA A 1 104 ? 29.182 3.947 -11.295 1.00 31.85 ? 204 ALA A C 1 ATOM 749 O O . ALA A 1 104 ? 30.330 4.095 -11.682 1.00 31.71 ? 204 ALA A O 1 ATOM 750 C CB . ALA A 1 104 ? 27.479 5.751 -11.730 1.00 31.48 ? 204 ALA A CB 1 ATOM 751 N N . LEU A 1 105 ? 28.915 3.358 -10.136 1.00 32.32 ? 205 LEU A N 1 ATOM 752 C CA . LEU A 1 105 ? 30.017 2.880 -9.274 1.00 32.60 ? 205 LEU A CA 1 ATOM 753 C C . LEU A 1 105 ? 30.938 1.868 -9.978 1.00 33.36 ? 205 LEU A C 1 ATOM 754 O O . LEU A 1 105 ? 32.159 1.866 -9.762 1.00 33.49 ? 205 LEU A O 1 ATOM 755 C CB . LEU A 1 105 ? 29.491 2.295 -7.966 1.00 32.15 ? 205 LEU A CB 1 ATOM 756 C CG . LEU A 1 105 ? 30.532 1.880 -6.915 1.00 32.88 ? 205 LEU A CG 1 ATOM 757 C CD1 . LEU A 1 105 ? 31.489 3.032 -6.546 1.00 33.20 ? 205 LEU A CD1 1 ATOM 758 C CD2 . LEU A 1 105 ? 29.874 1.288 -5.667 1.00 31.72 ? 205 LEU A CD2 1 ATOM 759 N N . HIS A 1 106 ? 30.356 1.011 -10.819 1.00 33.70 ? 206 HIS A N 1 ATOM 760 C CA . HIS A 1 106 ? 31.162 0.065 -11.552 1.00 33.84 ? 206 HIS A CA 1 ATOM 761 C C . HIS A 1 106 ? 32.165 0.855 -12.364 1.00 34.02 ? 206 HIS A C 1 ATOM 762 O O . HIS A 1 106 ? 33.370 0.608 -12.283 1.00 34.50 ? 206 HIS A O 1 ATOM 763 C CB . HIS A 1 106 ? 30.302 -0.816 -12.440 1.00 33.79 ? 206 HIS A CB 1 ATOM 764 C CG . HIS A 1 106 ? 29.470 -1.804 -11.683 1.00 33.42 ? 206 HIS A CG 1 ATOM 765 N ND1 . HIS A 1 106 ? 28.104 -1.676 -11.547 1.00 33.22 ? 206 HIS A ND1 1 ATOM 766 C CD2 . HIS A 1 106 ? 29.812 -2.935 -11.022 1.00 31.88 ? 206 HIS A CD2 1 ATOM 767 C CE1 . HIS A 1 106 ? 27.639 -2.694 -10.844 1.00 33.19 ? 206 HIS A CE1 1 ATOM 768 N NE2 . HIS A 1 106 ? 28.657 -3.469 -10.507 1.00 32.29 ? 206 HIS A NE2 1 ATOM 769 N N . ILE A 1 107 ? 31.668 1.841 -13.101 1.00 34.13 ? 207 ILE A N 1 ATOM 770 C CA . ILE A 1 107 ? 32.505 2.621 -14.013 1.00 33.87 ? 207 ILE A CA 1 ATOM 771 C C . ILE A 1 107 ? 33.648 3.345 -13.286 1.00 34.34 ? 207 ILE A C 1 ATOM 772 O O . ILE A 1 107 ? 34.772 3.396 -13.802 1.00 34.61 ? 207 ILE A O 1 ATOM 773 C CB . ILE A 1 107 ? 31.670 3.629 -14.827 1.00 33.54 ? 207 ILE A CB 1 ATOM 774 C CG1 . ILE A 1 107 ? 30.558 2.918 -15.604 1.00 33.84 ? 207 ILE A CG1 1 ATOM 775 C CG2 . ILE A 1 107 ? 32.561 4.417 -15.761 1.00 34.06 ? 207 ILE A CG2 1 ATOM 776 C CD1 . ILE A 1 107 ? 29.696 3.857 -16.443 1.00 33.49 ? 207 ILE A CD1 1 ATOM 777 N N . ALA A 1 108 ? 33.360 3.894 -12.097 1.00 34.56 ? 208 ALA A N 1 ATOM 778 C CA . ALA A 1 108 ? 34.333 4.693 -11.333 1.00 34.58 ? 208 ALA A CA 1 ATOM 779 C C . ALA A 1 108 ? 35.509 3.836 -10.986 1.00 35.11 ? 208 ALA A C 1 ATOM 780 O O . ALA A 1 108 ? 36.651 4.317 -10.946 1.00 34.85 ? 208 ALA A O 1 ATOM 781 C CB . ALA A 1 108 ? 33.717 5.218 -10.048 1.00 34.53 ? 208 ALA A CB 1 ATOM 782 N N . ILE A 1 109 ? 35.202 2.567 -10.691 1.00 35.52 ? 209 ILE A N 1 ATOM 783 C CA . ILE A 1 109 ? 36.209 1.596 -10.329 1.00 36.09 ? 209 ILE A CA 1 ATOM 784 C C . ILE A 1 109 ? 36.955 1.166 -11.589 1.00 36.83 ? 209 ILE A C 1 ATOM 785 O O . ILE A 1 109 ? 38.203 1.189 -11.631 1.00 37.89 ? 209 ILE A O 1 ATOM 786 C CB . ILE A 1 109 ? 35.611 0.371 -9.640 1.00 36.22 ? 209 ILE A CB 1 ATOM 787 C CG1 . ILE A 1 109 ? 34.704 0.796 -8.465 1.00 36.24 ? 209 ILE A CG1 1 ATOM 788 C CG2 . ILE A 1 109 ? 36.740 -0.568 -9.217 1.00 35.47 ? 209 ILE A CG2 1 ATOM 789 C CD1 . ILE A 1 109 ? 34.024 -0.359 -7.695 1.00 35.95 ? 209 ILE A CD1 1 ATOM 790 N N . GLU A 1 110 ? 36.203 0.798 -12.619 1.00 36.05 ? 210 GLU A N 1 ATOM 791 C CA . GLU A 1 110 ? 36.813 0.464 -13.871 1.00 36.34 ? 210 GLU A CA 1 ATOM 792 C C . GLU A 1 110 ? 37.823 1.522 -14.272 1.00 35.78 ? 210 GLU A C 1 ATOM 793 O O . GLU A 1 110 ? 38.840 1.211 -14.880 1.00 36.68 ? 210 GLU A O 1 ATOM 794 C CB . GLU A 1 110 ? 35.747 0.311 -14.956 1.00 37.13 ? 210 GLU A CB 1 ATOM 795 C CG . GLU A 1 110 ? 35.059 -1.028 -14.908 1.00 39.22 ? 210 GLU A CG 1 ATOM 796 C CD . GLU A 1 110 ? 33.696 -0.989 -15.544 1.00 42.26 ? 210 GLU A CD 1 ATOM 797 O OE1 . GLU A 1 110 ? 32.717 -0.820 -14.793 1.00 45.49 ? 210 GLU A OE1 1 ATOM 798 O OE2 . GLU A 1 110 ? 33.591 -1.112 -16.781 1.00 42.89 ? 210 GLU A OE2 1 ATOM 799 N N . ARG A 1 111 ? 37.549 2.769 -13.922 1.00 34.82 ? 211 ARG A N 1 ATOM 800 C CA . ARG A 1 111 ? 38.434 3.859 -14.280 1.00 33.96 ? 211 ARG A CA 1 ATOM 801 C C . ARG A 1 111 ? 39.481 4.152 -13.220 1.00 33.96 ? 211 ARG A C 1 ATOM 802 O O . ARG A 1 111 ? 40.267 5.080 -13.388 1.00 33.83 ? 211 ARG A O 1 ATOM 803 C CB . ARG A 1 111 ? 37.630 5.128 -14.586 1.00 33.77 ? 211 ARG A CB 1 ATOM 804 C CG . ARG A 1 111 ? 36.710 4.992 -15.792 1.00 32.54 ? 211 ARG A CG 1 ATOM 805 C CD . ARG A 1 111 ? 37.481 4.904 -17.146 1.00 30.67 ? 211 ARG A CD 1 ATOM 806 N NE . ARG A 1 111 ? 36.544 4.801 -18.266 1.00 29.24 ? 211 ARG A NE 1 ATOM 807 C CZ . ARG A 1 111 ? 35.995 3.665 -18.717 1.00 28.00 ? 211 ARG A CZ 1 ATOM 808 N NH1 . ARG A 1 111 ? 36.304 2.476 -18.184 1.00 26.16 ? 211 ARG A NH1 1 ATOM 809 N NH2 . ARG A 1 111 ? 35.128 3.728 -19.721 1.00 27.58 ? 211 ARG A NH2 1 ATOM 810 N N . ARG A 1 112 ? 39.496 3.372 -12.137 1.00 34.16 ? 212 ARG A N 1 ATOM 811 C CA . ARG A 1 112 ? 40.510 3.517 -11.076 1.00 34.80 ? 212 ARG A CA 1 ATOM 812 C C . ARG A 1 112 ? 40.480 4.926 -10.428 1.00 35.04 ? 212 ARG A C 1 ATOM 813 O O . ARG A 1 112 ? 41.524 5.580 -10.231 1.00 35.10 ? 212 ARG A O 1 ATOM 814 C CB . ARG A 1 112 ? 41.928 3.244 -11.616 1.00 34.95 ? 212 ARG A CB 1 ATOM 815 C CG . ARG A 1 112 ? 42.053 2.241 -12.730 1.00 34.88 ? 212 ARG A CG 1 ATOM 816 C CD . ARG A 1 112 ? 43.519 1.993 -13.019 1.00 35.13 ? 212 ARG A CD 1 ATOM 817 N NE . ARG A 1 112 ? 44.104 1.117 -12.007 1.00 36.45 ? 212 ARG A NE 1 ATOM 818 C CZ . ARG A 1 112 ? 43.974 -0.214 -11.991 1.00 36.28 ? 212 ARG A CZ 1 ATOM 819 N NH1 . ARG A 1 112 ? 43.278 -0.837 -12.942 1.00 36.46 ? 212 ARG A NH1 1 ATOM 820 N NH2 . ARG A 1 112 ? 44.553 -0.927 -11.030 1.00 34.87 ? 212 ARG A NH2 1 ATOM 821 N N . ASN A 1 113 ? 39.275 5.384 -10.111 1.00 35.16 ? 213 ASN A N 1 ATOM 822 C CA . ASN A 1 113 ? 39.054 6.760 -9.727 1.00 34.87 ? 213 ASN A CA 1 ATOM 823 C C . ASN A 1 113 ? 38.528 6.798 -8.298 1.00 34.73 ? 213 ASN A C 1 ATOM 824 O O . ASN A 1 113 ? 37.321 6.743 -8.072 1.00 35.25 ? 213 ASN A O 1 ATOM 825 C CB . ASN A 1 113 ? 38.068 7.391 -10.708 1.00 34.48 ? 213 ASN A CB 1 ATOM 826 C CG . ASN A 1 113 ? 38.122 8.884 -10.704 1.00 35.32 ? 213 ASN A CG 1 ATOM 827 O OD1 . ASN A 1 113 ? 38.416 9.503 -9.680 1.00 38.77 ? 213 ASN A OD1 1 ATOM 828 N ND2 . ASN A 1 113 ? 37.843 9.489 -11.852 1.00 34.36 ? 213 ASN A ND2 1 HETATM 829 N N . MSE A 1 114 ? 39.436 6.876 -7.332 1.00 34.41 ? 214 MSE A N 1 HETATM 830 C CA . MSE A 1 114 ? 39.058 6.939 -5.919 1.00 34.05 ? 214 MSE A CA 1 HETATM 831 C C . MSE A 1 114 ? 38.002 8.001 -5.674 1.00 33.35 ? 214 MSE A C 1 HETATM 832 O O . MSE A 1 114 ? 36.913 7.717 -5.168 1.00 32.73 ? 214 MSE A O 1 HETATM 833 C CB . MSE A 1 114 ? 40.272 7.271 -5.055 1.00 34.51 ? 214 MSE A CB 1 HETATM 834 C CG . MSE A 1 114 ? 39.974 7.247 -3.546 1.00 35.82 ? 214 MSE A CG 1 HETATM 835 SE SE . MSE A 1 114 ? 39.187 5.536 -2.970 1.00 37.30 ? 214 MSE A SE 1 HETATM 836 C CE . MSE A 1 114 ? 37.473 6.140 -2.367 1.00 35.58 ? 214 MSE A CE 1 ATOM 837 N N . THR A 1 115 ? 38.355 9.226 -6.052 1.00 32.53 ? 215 THR A N 1 ATOM 838 C CA . THR A 1 115 ? 37.506 10.374 -5.890 1.00 31.99 ? 215 THR A CA 1 ATOM 839 C C . THR A 1 115 ? 36.067 10.123 -6.303 1.00 31.91 ? 215 THR A C 1 ATOM 840 O O . THR A 1 115 ? 35.146 10.501 -5.579 1.00 32.47 ? 215 THR A O 1 ATOM 841 C CB . THR A 1 115 ? 38.069 11.527 -6.655 1.00 31.90 ? 215 THR A CB 1 ATOM 842 O OG1 . THR A 1 115 ? 39.426 11.700 -6.241 1.00 31.74 ? 215 THR A OG1 1 ATOM 843 C CG2 . THR A 1 115 ? 37.283 12.794 -6.352 1.00 32.42 ? 215 THR A CG2 1 ATOM 844 N N . LEU A 1 116 ? 35.864 9.477 -7.446 1.00 31.39 ? 216 LEU A N 1 ATOM 845 C CA . LEU A 1 116 ? 34.506 9.203 -7.901 1.00 30.96 ? 216 LEU A CA 1 ATOM 846 C C . LEU A 1 116 ? 33.871 7.991 -7.219 1.00 30.67 ? 216 LEU A C 1 ATOM 847 O O . LEU A 1 116 ? 32.655 7.953 -7.051 1.00 30.53 ? 216 LEU A O 1 ATOM 848 C CB . LEU A 1 116 ? 34.436 9.090 -9.424 1.00 30.83 ? 216 LEU A CB 1 ATOM 849 C CG . LEU A 1 116 ? 34.686 10.348 -10.285 1.00 31.85 ? 216 LEU A CG 1 ATOM 850 C CD1 . LEU A 1 116 ? 33.973 10.191 -11.647 1.00 31.70 ? 216 LEU A CD1 1 ATOM 851 C CD2 . LEU A 1 116 ? 34.291 11.695 -9.618 1.00 30.63 ? 216 LEU A CD2 1 ATOM 852 N N . VAL A 1 117 ? 34.681 7.004 -6.837 1.00 30.16 ? 217 VAL A N 1 ATOM 853 C CA . VAL A 1 117 ? 34.188 5.929 -5.991 1.00 30.11 ? 217 VAL A CA 1 ATOM 854 C C . VAL A 1 117 ? 33.693 6.601 -4.712 1.00 30.57 ? 217 VAL A C 1 ATOM 855 O O . VAL A 1 117 ? 32.513 6.520 -4.383 1.00 30.55 ? 217 VAL A O 1 ATOM 856 C CB . VAL A 1 117 ? 35.291 4.908 -5.641 1.00 29.92 ? 217 VAL A CB 1 ATOM 857 C CG1 . VAL A 1 117 ? 34.996 4.225 -4.318 1.00 30.37 ? 217 VAL A CG1 1 ATOM 858 C CG2 . VAL A 1 117 ? 35.449 3.871 -6.721 1.00 28.96 ? 217 VAL A CG2 1 ATOM 859 N N . THR A 1 118 ? 34.597 7.293 -4.017 1.00 30.78 ? 218 THR A N 1 ATOM 860 C CA . THR A 1 118 ? 34.262 8.007 -2.797 1.00 31.27 ? 218 THR A CA 1 ATOM 861 C C . THR A 1 118 ? 32.940 8.773 -2.984 1.00 31.61 ? 218 THR A C 1 ATOM 862 O O . THR A 1 118 ? 31.997 8.601 -2.206 1.00 31.90 ? 218 THR A O 1 ATOM 863 C CB . THR A 1 118 ? 35.390 9.003 -2.410 1.00 31.67 ? 218 THR A CB 1 ATOM 864 O OG1 . THR A 1 118 ? 36.655 8.510 -2.875 1.00 32.47 ? 218 THR A OG1 1 ATOM 865 C CG2 . THR A 1 118 ? 35.446 9.253 -0.906 1.00 31.00 ? 218 THR A CG2 1 ATOM 866 N N . LEU A 1 119 ? 32.851 9.597 -4.023 1.00 31.40 ? 219 LEU A N 1 ATOM 867 C CA . LEU A 1 119 ? 31.679 10.442 -4.158 1.00 31.48 ? 219 LEU A CA 1 ATOM 868 C C . LEU A 1 119 ? 30.397 9.616 -4.283 1.00 31.51 ? 219 LEU A C 1 ATOM 869 O O . LEU A 1 119 ? 29.405 9.900 -3.610 1.00 31.83 ? 219 LEU A O 1 ATOM 870 C CB . LEU A 1 119 ? 31.817 11.423 -5.317 1.00 31.39 ? 219 LEU A CB 1 ATOM 871 C CG . LEU A 1 119 ? 30.667 12.424 -5.308 1.00 31.53 ? 219 LEU A CG 1 ATOM 872 C CD1 . LEU A 1 119 ? 30.839 13.429 -4.193 1.00 32.46 ? 219 LEU A CD1 1 ATOM 873 C CD2 . LEU A 1 119 ? 30.551 13.114 -6.638 1.00 31.61 ? 219 LEU A CD2 1 ATOM 874 N N . LEU A 1 120 ? 30.432 8.589 -5.126 1.00 31.24 ? 220 LEU A N 1 ATOM 875 C CA . LEU A 1 120 ? 29.258 7.759 -5.382 1.00 30.90 ? 220 LEU A CA 1 ATOM 876 C C . LEU A 1 120 ? 28.775 7.021 -4.152 1.00 31.36 ? 220 LEU A C 1 ATOM 877 O O . LEU A 1 120 ? 27.574 7.008 -3.889 1.00 31.79 ? 220 LEU A O 1 ATOM 878 C CB . LEU A 1 120 ? 29.551 6.750 -6.474 1.00 30.55 ? 220 LEU A CB 1 ATOM 879 C CG . LEU A 1 120 ? 29.289 7.058 -7.942 1.00 29.31 ? 220 LEU A CG 1 ATOM 880 C CD1 . LEU A 1 120 ? 29.155 8.531 -8.212 1.00 28.52 ? 220 LEU A CD1 1 ATOM 881 C CD2 . LEU A 1 120 ? 30.409 6.424 -8.766 1.00 27.93 ? 220 LEU A CD2 1 ATOM 882 N N . VAL A 1 121 ? 29.702 6.401 -3.416 1.00 31.56 ? 221 VAL A N 1 ATOM 883 C CA . VAL A 1 121 ? 29.402 5.751 -2.131 1.00 31.86 ? 221 VAL A CA 1 ATOM 884 C C . VAL A 1 121 ? 28.753 6.708 -1.088 1.00 32.39 ? 221 VAL A C 1 ATOM 885 O O . VAL A 1 121 ? 27.850 6.310 -0.327 1.00 32.47 ? 221 VAL A O 1 ATOM 886 C CB . VAL A 1 121 ? 30.657 5.023 -1.566 1.00 31.75 ? 221 VAL A CB 1 ATOM 887 C CG1 . VAL A 1 121 ? 30.618 4.907 -0.066 1.00 32.44 ? 221 VAL A CG1 1 ATOM 888 C CG2 . VAL A 1 121 ? 30.762 3.641 -2.143 1.00 31.17 ? 221 VAL A CG2 1 ATOM 889 N N . GLU A 1 122 ? 29.183 7.971 -1.091 1.00 32.58 ? 222 GLU A N 1 ATOM 890 C CA . GLU A 1 122 ? 28.676 8.970 -0.157 1.00 32.83 ? 222 GLU A CA 1 ATOM 891 C C . GLU A 1 122 ? 27.284 9.464 -0.513 1.00 32.93 ? 222 GLU A C 1 ATOM 892 O O . GLU A 1 122 ? 26.513 9.868 0.354 1.00 32.97 ? 222 GLU A O 1 ATOM 893 C CB . GLU A 1 122 ? 29.620 10.157 -0.100 1.00 33.13 ? 222 GLU A CB 1 ATOM 894 C CG . GLU A 1 122 ? 30.947 9.849 0.545 1.00 34.03 ? 222 GLU A CG 1 ATOM 895 C CD . GLU A 1 122 ? 31.614 11.088 1.098 1.00 35.89 ? 222 GLU A CD 1 ATOM 896 O OE1 . GLU A 1 122 ? 30.942 12.143 1.203 1.00 36.06 ? 222 GLU A OE1 1 ATOM 897 O OE2 . GLU A 1 122 ? 32.814 11.002 1.432 1.00 37.15 ? 222 GLU A OE2 1 ATOM 898 N N . ASN A 1 123 ? 26.977 9.469 -1.800 1.00 33.20 ? 223 ASN A N 1 ATOM 899 C CA . ASN A 1 123 ? 25.634 9.784 -2.249 1.00 33.13 ? 223 ASN A CA 1 ATOM 900 C C . ASN A 1 123 ? 24.863 8.479 -2.462 1.00 33.28 ? 223 ASN A C 1 ATOM 901 O O . ASN A 1 123 ? 23.855 8.441 -3.168 1.00 33.45 ? 223 ASN A O 1 ATOM 902 C CB . ASN A 1 123 ? 25.661 10.674 -3.495 1.00 32.88 ? 223 ASN A CB 1 ATOM 903 C CG . ASN A 1 123 ? 26.473 11.931 -3.285 1.00 32.37 ? 223 ASN A CG 1 ATOM 904 O OD1 . ASN A 1 123 ? 26.029 12.871 -2.633 1.00 31.47 ? 223 ASN A OD1 1 ATOM 905 N ND2 . ASN A 1 123 ? 27.679 11.948 -3.833 1.00 32.52 ? 223 ASN A ND2 1 ATOM 906 N N . GLY A 1 124 ? 25.358 7.409 -1.845 1.00 33.11 ? 224 GLY A N 1 ATOM 907 C CA . GLY A 1 124 ? 24.567 6.207 -1.647 1.00 33.52 ? 224 GLY A CA 1 ATOM 908 C C . GLY A 1 124 ? 24.536 5.165 -2.745 1.00 33.93 ? 224 GLY A C 1 ATOM 909 O O . GLY A 1 124 ? 23.553 4.429 -2.854 1.00 34.08 ? 224 GLY A O 1 ATOM 910 N N . ALA A 1 125 ? 25.601 5.083 -3.543 1.00 34.20 ? 225 ALA A N 1 ATOM 911 C CA . ALA A 1 125 ? 25.761 3.994 -4.506 1.00 34.75 ? 225 ALA A CA 1 ATOM 912 C C . ALA A 1 125 ? 25.683 2.627 -3.807 1.00 34.93 ? 225 ALA A C 1 ATOM 913 O O . ALA A 1 125 ? 26.288 2.440 -2.755 1.00 34.60 ? 225 ALA A O 1 ATOM 914 C CB . ALA A 1 125 ? 27.077 4.130 -5.253 1.00 34.88 ? 225 ALA A CB 1 ATOM 915 N N . ASP A 1 126 ? 24.913 1.700 -4.389 1.00 35.17 ? 226 ASP A N 1 ATOM 916 C CA . ASP A 1 126 ? 24.783 0.354 -3.873 1.00 35.10 ? 226 ASP A CA 1 ATOM 917 C C . ASP A 1 126 ? 26.064 -0.381 -4.163 1.00 35.68 ? 226 ASP A C 1 ATOM 918 O O . ASP A 1 126 ? 26.482 -0.545 -5.314 1.00 36.07 ? 226 ASP A O 1 ATOM 919 C CB . ASP A 1 126 ? 23.639 -0.399 -4.522 1.00 35.02 ? 226 ASP A CB 1 ATOM 920 C CG . ASP A 1 126 ? 23.518 -1.819 -3.990 1.00 36.09 ? 226 ASP A CG 1 ATOM 921 O OD1 . ASP A 1 126 ? 23.968 -2.070 -2.846 1.00 36.87 ? 226 ASP A OD1 1 ATOM 922 O OD2 . ASP A 1 126 ? 22.975 -2.690 -4.703 1.00 36.90 ? 226 ASP A OD2 1 ATOM 923 N N . VAL A 1 127 ? 26.682 -0.841 -3.094 1.00 35.93 ? 227 VAL A N 1 ATOM 924 C CA . VAL A 1 127 ? 28.005 -1.399 -3.163 1.00 35.59 ? 227 VAL A CA 1 ATOM 925 C C . VAL A 1 127 ? 27.947 -2.875 -3.570 1.00 36.16 ? 227 VAL A C 1 ATOM 926 O O . VAL A 1 127 ? 28.957 -3.464 -3.958 1.00 36.54 ? 227 VAL A O 1 ATOM 927 C CB . VAL A 1 127 ? 28.710 -1.128 -1.809 1.00 35.36 ? 227 VAL A CB 1 ATOM 928 C CG1 . VAL A 1 127 ? 29.474 -2.303 -1.331 1.00 35.34 ? 227 VAL A CG1 1 ATOM 929 C CG2 . VAL A 1 127 ? 29.596 0.094 -1.908 1.00 34.11 ? 227 VAL A CG2 1 ATOM 930 N N . GLN A 1 128 ? 26.755 -3.461 -3.502 1.00 36.72 ? 228 GLN A N 1 ATOM 931 C CA . GLN A 1 128 ? 26.546 -4.874 -3.856 1.00 37.20 ? 228 GLN A CA 1 ATOM 932 C C . GLN A 1 128 ? 25.927 -5.087 -5.258 1.00 37.42 ? 228 GLN A C 1 ATOM 933 O O . GLN A 1 128 ? 25.514 -6.206 -5.586 1.00 37.71 ? 228 GLN A O 1 ATOM 934 C CB . GLN A 1 128 ? 25.662 -5.559 -2.797 1.00 37.35 ? 228 GLN A CB 1 ATOM 935 C CG . GLN A 1 128 ? 26.289 -5.654 -1.415 1.00 38.04 ? 228 GLN A CG 1 ATOM 936 C CD . GLN A 1 128 ? 27.664 -6.346 -1.431 1.00 39.06 ? 228 GLN A CD 1 ATOM 937 O OE1 . GLN A 1 128 ? 28.637 -5.836 -0.866 1.00 37.27 ? 228 GLN A OE1 1 ATOM 938 N NE2 . GLN A 1 128 ? 27.738 -7.515 -2.072 1.00 40.13 ? 228 GLN A NE2 1 ATOM 939 N N . ALA A 1 129 ? 25.847 -4.023 -6.064 1.00 37.18 ? 229 ALA A N 1 ATOM 940 C CA . ALA A 1 129 ? 25.212 -4.087 -7.379 1.00 37.01 ? 229 ALA A CA 1 ATOM 941 C C . ALA A 1 129 ? 26.037 -4.945 -8.321 1.00 37.32 ? 229 ALA A C 1 ATOM 942 O O . ALA A 1 129 ? 27.234 -4.710 -8.498 1.00 37.95 ? 229 ALA A O 1 ATOM 943 C CB . ALA A 1 129 ? 25.028 -2.696 -7.955 1.00 36.72 ? 229 ALA A CB 1 ATOM 944 N N . ALA A 1 130 ? 25.396 -5.946 -8.921 1.00 37.46 ? 230 ALA A N 1 ATOM 945 C CA . ALA A 1 130 ? 26.090 -6.894 -9.805 1.00 37.09 ? 230 ALA A CA 1 ATOM 946 C C . ALA A 1 130 ? 26.018 -6.499 -11.282 1.00 36.79 ? 230 ALA A C 1 ATOM 947 O O . ALA A 1 130 ? 24.951 -6.450 -11.881 1.00 36.32 ? 230 ALA A O 1 ATOM 948 C CB . ALA A 1 130 ? 25.580 -8.331 -9.585 1.00 36.75 ? 230 ALA A CB 1 ATOM 949 N N . ALA A 1 131 ? 27.176 -6.193 -11.853 1.00 37.21 ? 231 ALA A N 1 ATOM 950 C CA . ALA A 1 131 ? 27.288 -5.928 -13.276 1.00 37.27 ? 231 ALA A CA 1 ATOM 951 C C . ALA A 1 131 ? 27.429 -7.276 -13.940 1.00 37.43 ? 231 ALA A C 1 ATOM 952 O O . ALA A 1 131 ? 28.504 -7.869 -13.863 1.00 37.54 ? 231 ALA A O 1 ATOM 953 C CB . ALA A 1 131 ? 28.510 -5.081 -13.547 1.00 37.17 ? 231 ALA A CB 1 ATOM 954 N N . ASN A 1 132 ? 26.364 -7.762 -14.586 1.00 37.63 ? 232 ASN A N 1 ATOM 955 C CA . ASN A 1 132 ? 26.305 -9.178 -15.032 1.00 37.77 ? 232 ASN A CA 1 ATOM 956 C C . ASN A 1 132 ? 26.098 -9.411 -16.534 1.00 37.76 ? 232 ASN A C 1 ATOM 957 O O . ASN A 1 132 ? 25.874 -10.555 -16.967 1.00 38.23 ? 232 ASN A O 1 ATOM 958 C CB . ASN A 1 132 ? 25.227 -9.943 -14.247 1.00 37.98 ? 232 ASN A CB 1 ATOM 959 C CG . ASN A 1 132 ? 23.809 -9.408 -14.507 1.00 38.43 ? 232 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 132 ? 23.346 -9.354 -15.650 1.00 39.88 ? 232 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 132 ? 23.118 -9.018 -13.442 1.00 38.38 ? 232 ASN A ND2 1 ATOM 962 N N . GLY A 1 133 ? 26.149 -8.339 -17.321 1.00 37.20 ? 233 GLY A N 1 ATOM 963 C CA . GLY A 1 133 ? 25.951 -8.451 -18.758 1.00 36.91 ? 233 GLY A CA 1 ATOM 964 C C . GLY A 1 133 ? 27.117 -9.138 -19.424 1.00 36.67 ? 233 GLY A C 1 ATOM 965 O O . GLY A 1 133 ? 28.136 -9.346 -18.798 1.00 36.32 ? 233 GLY A O 1 ATOM 966 N N . ASP A 1 134 ? 26.973 -9.475 -20.706 1.00 37.19 ? 234 ASP A N 1 ATOM 967 C CA . ASP A 1 134 ? 28.034 -10.188 -21.447 1.00 37.27 ? 234 ASP A CA 1 ATOM 968 C C . ASP A 1 134 ? 29.398 -9.467 -21.445 1.00 37.43 ? 234 ASP A C 1 ATOM 969 O O . ASP A 1 134 ? 30.444 -10.098 -21.667 1.00 37.82 ? 234 ASP A O 1 ATOM 970 C CB . ASP A 1 134 ? 27.607 -10.523 -22.882 1.00 36.79 ? 234 ASP A CB 1 ATOM 971 C CG . ASP A 1 134 ? 26.459 -11.529 -22.942 1.00 36.50 ? 234 ASP A CG 1 ATOM 972 O OD1 . ASP A 1 134 ? 25.582 -11.356 -23.826 1.00 34.47 ? 234 ASP A OD1 1 ATOM 973 O OD2 . ASP A 1 134 ? 26.432 -12.483 -22.124 1.00 35.10 ? 234 ASP A OD2 1 ATOM 974 N N . PHE A 1 135 ? 29.389 -8.162 -21.173 1.00 37.05 ? 235 PHE A N 1 ATOM 975 C CA . PHE A 1 135 ? 30.627 -7.405 -21.119 1.00 36.45 ? 235 PHE A CA 1 ATOM 976 C C . PHE A 1 135 ? 31.443 -7.770 -19.883 1.00 37.07 ? 235 PHE A C 1 ATOM 977 O O . PHE A 1 135 ? 32.624 -7.472 -19.811 1.00 37.16 ? 235 PHE A O 1 ATOM 978 C CB . PHE A 1 135 ? 30.350 -5.893 -21.165 1.00 35.60 ? 235 PHE A CB 1 ATOM 979 C CG . PHE A 1 135 ? 31.582 -5.067 -20.982 1.00 32.64 ? 235 PHE A CG 1 ATOM 980 C CD1 . PHE A 1 135 ? 31.775 -4.346 -19.825 1.00 31.71 ? 235 PHE A CD1 1 ATOM 981 C CD2 . PHE A 1 135 ? 32.579 -5.076 -21.937 1.00 29.94 ? 235 PHE A CD2 1 ATOM 982 C CE1 . PHE A 1 135 ? 32.932 -3.628 -19.633 1.00 32.66 ? 235 PHE A CE1 1 ATOM 983 C CE2 . PHE A 1 135 ? 33.738 -4.350 -21.770 1.00 30.07 ? 235 PHE A CE2 1 ATOM 984 C CZ . PHE A 1 135 ? 33.922 -3.621 -20.622 1.00 32.89 ? 235 PHE A CZ 1 ATOM 985 N N . PHE A 1 136 ? 30.793 -8.418 -18.920 1.00 38.32 ? 236 PHE A N 1 ATOM 986 C CA . PHE A 1 136 ? 31.373 -8.771 -17.617 1.00 39.25 ? 236 PHE A CA 1 ATOM 987 C C . PHE A 1 136 ? 31.555 -10.273 -17.392 1.00 40.39 ? 236 PHE A C 1 ATOM 988 O O . PHE A 1 136 ? 31.773 -10.715 -16.246 1.00 40.80 ? 236 PHE A O 1 ATOM 989 C CB . PHE A 1 136 ? 30.480 -8.215 -16.521 1.00 38.92 ? 236 PHE A CB 1 ATOM 990 C CG . PHE A 1 136 ? 30.144 -6.778 -16.714 1.00 38.58 ? 236 PHE A CG 1 ATOM 991 C CD1 . PHE A 1 136 ? 31.096 -5.796 -16.486 1.00 37.86 ? 236 PHE A CD1 1 ATOM 992 C CD2 . PHE A 1 136 ? 28.886 -6.402 -17.132 1.00 37.58 ? 236 PHE A CD2 1 ATOM 993 C CE1 . PHE A 1 136 ? 30.783 -4.471 -16.667 1.00 38.69 ? 236 PHE A CE1 1 ATOM 994 C CE2 . PHE A 1 136 ? 28.573 -5.074 -17.315 1.00 37.26 ? 236 PHE A CE2 1 ATOM 995 C CZ . PHE A 1 136 ? 29.519 -4.112 -17.096 1.00 38.05 ? 236 PHE A CZ 1 ATOM 996 N N . LYS A 1 137 ? 31.449 -11.037 -18.482 1.00 41.63 ? 237 LYS A N 1 ATOM 997 C CA . LYS A 1 137 ? 31.726 -12.472 -18.514 1.00 43.09 ? 237 LYS A CA 1 ATOM 998 C C . LYS A 1 137 ? 32.760 -12.756 -19.601 1.00 44.23 ? 237 LYS A C 1 ATOM 999 O O . LYS A 1 137 ? 33.116 -11.855 -20.368 1.00 44.19 ? 237 LYS A O 1 ATOM 1000 C CB . LYS A 1 137 ? 30.462 -13.260 -18.842 1.00 42.92 ? 237 LYS A CB 1 ATOM 1001 C CG . LYS A 1 137 ? 29.267 -12.951 -17.970 1.00 44.24 ? 237 LYS A CG 1 ATOM 1002 C CD . LYS A 1 137 ? 28.066 -13.806 -18.369 1.00 45.60 ? 237 LYS A CD 1 ATOM 1003 C CE . LYS A 1 137 ? 27.997 -14.025 -19.874 1.00 45.87 ? 237 LYS A CE 1 ATOM 1004 N NZ . LYS A 1 137 ? 27.405 -15.352 -20.205 1.00 47.29 ? 237 LYS A NZ 1 ATOM 1005 N N . LYS A 1 138 ? 33.210 -14.015 -19.679 1.00 45.75 ? 238 LYS A N 1 ATOM 1006 C CA . LYS A 1 138 ? 34.181 -14.472 -20.690 1.00 47.02 ? 238 LYS A CA 1 ATOM 1007 C C . LYS A 1 138 ? 33.781 -14.249 -22.150 1.00 47.53 ? 238 LYS A C 1 ATOM 1008 O O . LYS A 1 138 ? 32.679 -14.621 -22.594 1.00 47.60 ? 238 LYS A O 1 ATOM 1009 C CB . LYS A 1 138 ? 34.584 -15.935 -20.475 1.00 47.38 ? 238 LYS A CB 1 ATOM 1010 C CG . LYS A 1 138 ? 36.012 -16.109 -19.932 1.00 49.68 ? 238 LYS A CG 1 ATOM 1011 C CD . LYS A 1 138 ? 36.632 -17.471 -20.319 1.00 51.87 ? 238 LYS A CD 1 ATOM 1012 C CE . LYS A 1 138 ? 36.411 -18.561 -19.239 1.00 53.17 ? 238 LYS A CE 1 ATOM 1013 N NZ . LYS A 1 138 ? 36.845 -19.937 -19.683 1.00 52.38 ? 238 LYS A NZ 1 ATOM 1014 N N . THR A 1 139 ? 34.733 -13.649 -22.868 1.00 48.16 ? 239 THR A N 1 ATOM 1015 C CA . THR A 1 139 ? 34.667 -13.290 -24.286 1.00 48.41 ? 239 THR A CA 1 ATOM 1016 C C . THR A 1 139 ? 33.969 -14.329 -25.178 1.00 48.72 ? 239 THR A C 1 ATOM 1017 O O . THR A 1 139 ? 34.186 -15.537 -25.040 1.00 48.88 ? 239 THR A O 1 ATOM 1018 C CB . THR A 1 139 ? 36.112 -13.004 -24.799 1.00 48.40 ? 239 THR A CB 1 ATOM 1019 O OG1 . THR A 1 139 ? 36.076 -12.343 -26.067 1.00 48.31 ? 239 THR A OG1 1 ATOM 1020 C CG2 . THR A 1 139 ? 36.940 -14.297 -24.899 1.00 48.38 ? 239 THR A CG2 1 ATOM 1021 N N . LYS A 1 140 ? 33.132 -13.846 -26.090 1.00 48.95 ? 240 LYS A N 1 ATOM 1022 C CA . LYS A 1 140 ? 32.338 -14.723 -26.943 1.00 49.25 ? 240 LYS A CA 1 ATOM 1023 C C . LYS A 1 140 ? 33.208 -15.407 -27.992 1.00 49.38 ? 240 LYS A C 1 ATOM 1024 O O . LYS A 1 140 ? 33.239 -16.635 -28.082 1.00 49.73 ? 240 LYS A O 1 ATOM 1025 C CB . LYS A 1 140 ? 31.215 -13.937 -27.622 1.00 49.32 ? 240 LYS A CB 1 ATOM 1026 C CG . LYS A 1 140 ? 30.756 -14.529 -28.945 1.00 49.27 ? 240 LYS A CG 1 ATOM 1027 C CD . LYS A 1 140 ? 29.353 -14.065 -29.300 1.00 49.33 ? 240 LYS A CD 1 ATOM 1028 C CE . LYS A 1 140 ? 29.147 -14.029 -30.805 1.00 48.98 ? 240 LYS A CE 1 ATOM 1029 N NZ . LYS A 1 140 ? 29.224 -15.388 -31.409 1.00 47.68 ? 240 LYS A NZ 1 ATOM 1030 N N . GLY A 1 141 ? 33.914 -14.605 -28.783 1.00 49.21 ? 241 GLY A N 1 ATOM 1031 C CA . GLY A 1 141 ? 34.729 -13.531 -28.247 1.00 48.86 ? 241 GLY A CA 1 ATOM 1032 C C . GLY A 1 141 ? 34.241 -12.162 -28.677 1.00 48.49 ? 241 GLY A C 1 ATOM 1033 O O . GLY A 1 141 ? 33.933 -11.941 -29.848 1.00 47.95 ? 241 GLY A O 1 ATOM 1034 N N . ARG A 1 142 ? 34.170 -11.238 -27.724 1.00 48.01 ? 242 ARG A N 1 ATOM 1035 C CA . ARG A 1 142 ? 33.210 -10.143 -27.788 1.00 47.44 ? 242 ARG A CA 1 ATOM 1036 C C . ARG A 1 142 ? 33.752 -8.891 -27.107 1.00 47.52 ? 242 ARG A C 1 ATOM 1037 O O . ARG A 1 142 ? 33.265 -7.785 -27.340 1.00 47.43 ? 242 ARG A O 1 ATOM 1038 C CB . ARG A 1 142 ? 31.883 -10.556 -27.148 1.00 47.08 ? 242 ARG A CB 1 ATOM 1039 C CG . ARG A 1 142 ? 30.692 -10.490 -28.090 1.00 45.53 ? 242 ARG A CG 1 ATOM 1040 C CD . ARG A 1 142 ? 29.438 -9.901 -27.465 1.00 43.09 ? 242 ARG A CD 1 ATOM 1041 N NE . ARG A 1 142 ? 29.132 -8.576 -27.997 1.00 40.60 ? 242 ARG A NE 1 ATOM 1042 C CZ . ARG A 1 142 ? 27.957 -7.975 -27.872 1.00 39.95 ? 242 ARG A CZ 1 ATOM 1043 N NH1 . ARG A 1 142 ? 26.966 -8.580 -27.231 1.00 39.71 ? 242 ARG A NH1 1 ATOM 1044 N NH2 . ARG A 1 142 ? 27.768 -6.769 -28.388 1.00 38.73 ? 242 ARG A NH2 1 ATOM 1045 N N . PRO A 1 143 ? 34.764 -9.073 -26.264 1.00 47.47 ? 243 PRO A N 1 ATOM 1046 C CA . PRO A 1 143 ? 34.673 -10.012 -25.142 1.00 47.54 ? 243 PRO A CA 1 ATOM 1047 C C . PRO A 1 143 ? 33.931 -9.407 -23.955 1.00 47.08 ? 243 PRO A C 1 ATOM 1048 O O . PRO A 1 143 ? 33.193 -8.436 -24.120 1.00 46.99 ? 243 PRO A O 1 ATOM 1049 C CB . PRO A 1 143 ? 36.138 -10.256 -24.777 1.00 47.93 ? 243 PRO A CB 1 ATOM 1050 C CG . PRO A 1 143 ? 36.836 -9.011 -25.193 1.00 48.01 ? 243 PRO A CG 1 ATOM 1051 C CD . PRO A 1 143 ? 36.125 -8.536 -26.429 1.00 47.58 ? 243 PRO A CD 1 ATOM 1052 N N . GLY A 1 144 ? 34.129 -9.980 -22.772 1.00 46.44 ? 244 GLY A N 1 ATOM 1053 C CA . GLY A 1 144 ? 35.372 -9.812 -22.042 1.00 45.32 ? 244 GLY A CA 1 ATOM 1054 C C . GLY A 1 144 ? 35.438 -8.487 -21.308 1.00 44.60 ? 244 GLY A C 1 ATOM 1055 O O . GLY A 1 144 ? 35.603 -7.433 -21.922 1.00 44.80 ? 244 GLY A O 1 ATOM 1056 N N . PHE A 1 145 ? 35.309 -8.542 -19.986 1.00 43.60 ? 245 PHE A N 1 ATOM 1057 C CA . PHE A 1 145 ? 36.179 -9.377 -19.167 1.00 42.40 ? 245 PHE A CA 1 ATOM 1058 C C . PHE A 1 145 ? 35.611 -9.555 -17.763 1.00 41.70 ? 245 PHE A C 1 ATOM 1059 O O . PHE A 1 145 ? 35.026 -8.631 -17.198 1.00 41.58 ? 245 PHE A O 1 ATOM 1060 C CB . PHE A 1 145 ? 37.584 -8.777 -19.093 1.00 42.30 ? 245 PHE A CB 1 ATOM 1061 C CG . PHE A 1 145 ? 38.185 -8.806 -17.716 1.00 42.53 ? 245 PHE A CG 1 ATOM 1062 C CD1 . PHE A 1 145 ? 38.965 -9.876 -17.309 1.00 42.31 ? 245 PHE A CD1 1 ATOM 1063 C CD2 . PHE A 1 145 ? 37.969 -7.765 -16.829 1.00 41.27 ? 245 PHE A CD2 1 ATOM 1064 C CE1 . PHE A 1 145 ? 39.518 -9.905 -16.043 1.00 40.55 ? 245 PHE A CE1 1 ATOM 1065 C CE2 . PHE A 1 145 ? 38.520 -7.789 -15.562 1.00 39.96 ? 245 PHE A CE2 1 ATOM 1066 C CZ . PHE A 1 145 ? 39.295 -8.861 -15.169 1.00 40.27 ? 245 PHE A CZ 1 ATOM 1067 N N . TYR A 1 146 ? 35.786 -10.749 -17.205 1.00 40.54 ? 246 TYR A N 1 ATOM 1068 C CA . TYR A 1 146 ? 35.045 -11.157 -16.018 1.00 39.51 ? 246 TYR A CA 1 ATOM 1069 C C . TYR A 1 146 ? 35.815 -11.026 -14.708 1.00 39.17 ? 246 TYR A C 1 ATOM 1070 O O . TYR A 1 146 ? 36.981 -11.412 -14.621 1.00 39.13 ? 246 TYR A O 1 ATOM 1071 C CB . TYR A 1 146 ? 34.657 -12.634 -16.110 1.00 39.27 ? 246 TYR A CB 1 ATOM 1072 C CG . TYR A 1 146 ? 34.312 -13.261 -14.778 1.00 38.58 ? 246 TYR A CG 1 ATOM 1073 C CD1 . TYR A 1 146 ? 33.034 -13.151 -14.247 1.00 39.19 ? 246 TYR A CD1 1 ATOM 1074 C CD2 . TYR A 1 146 ? 35.265 -13.963 -14.052 1.00 38.80 ? 246 TYR A CD2 1 ATOM 1075 C CE1 . TYR A 1 146 ? 32.714 -13.723 -13.030 1.00 38.71 ? 246 TYR A CE1 1 ATOM 1076 C CE2 . TYR A 1 146 ? 34.955 -14.538 -12.834 1.00 39.45 ? 246 TYR A CE2 1 ATOM 1077 C CZ . TYR A 1 146 ? 33.678 -14.414 -12.328 1.00 39.41 ? 246 TYR A CZ 1 ATOM 1078 O OH . TYR A 1 146 ? 33.364 -14.985 -11.116 1.00 38.23 ? 246 TYR A OH 1 ATOM 1079 N N . PHE A 1 147 ? 35.156 -10.479 -13.692 1.00 38.74 ? 247 PHE A N 1 ATOM 1080 C CA . PHE A 1 147 ? 35.815 -10.170 -12.429 1.00 38.29 ? 247 PHE A CA 1 ATOM 1081 C C . PHE A 1 147 ? 34.878 -10.319 -11.235 1.00 38.47 ? 247 PHE A C 1 ATOM 1082 O O . PHE A 1 147 ? 34.907 -9.512 -10.306 1.00 39.32 ? 247 PHE A O 1 ATOM 1083 C CB . PHE A 1 147 ? 36.314 -8.727 -12.529 1.00 38.22 ? 247 PHE A CB 1 ATOM 1084 C CG . PHE A 1 147 ? 35.254 -7.747 -12.943 1.00 39.17 ? 247 PHE A CG 1 ATOM 1085 C CD1 . PHE A 1 147 ? 34.345 -7.258 -12.020 1.00 38.25 ? 247 PHE A CD1 1 ATOM 1086 C CD2 . PHE A 1 147 ? 35.166 -7.314 -14.255 1.00 38.96 ? 247 PHE A CD2 1 ATOM 1087 C CE1 . PHE A 1 147 ? 33.368 -6.356 -12.398 1.00 36.51 ? 247 PHE A CE1 1 ATOM 1088 C CE2 . PHE A 1 147 ? 34.192 -6.413 -14.640 1.00 38.66 ? 247 PHE A CE2 1 ATOM 1089 C CZ . PHE A 1 147 ? 33.292 -5.933 -13.709 1.00 37.91 ? 247 PHE A CZ 1 ATOM 1090 N N . GLY A 1 148 ? 34.048 -11.357 -11.267 1.00 38.07 ? 248 GLY A N 1 ATOM 1091 C CA . GLY A 1 148 ? 32.660 -11.211 -11.662 1.00 37.44 ? 248 GLY A CA 1 ATOM 1092 C C . GLY A 1 148 ? 32.128 -9.997 -10.927 1.00 36.79 ? 248 GLY A C 1 ATOM 1093 O O . GLY A 1 148 ? 32.408 -9.804 -9.743 1.00 36.19 ? 248 GLY A O 1 ATOM 1094 N N . GLU A 1 149 ? 31.358 -9.174 -11.632 1.00 36.05 ? 249 GLU A N 1 ATOM 1095 C CA . GLU A 1 149 ? 30.067 -8.717 -11.132 1.00 35.37 ? 249 GLU A CA 1 ATOM 1096 C C . GLU A 1 149 ? 29.942 -7.645 -10.055 1.00 35.20 ? 249 GLU A C 1 ATOM 1097 O O . GLU A 1 149 ? 29.290 -6.621 -10.258 1.00 35.15 ? 249 GLU A O 1 ATOM 1098 C CB . GLU A 1 149 ? 29.164 -9.906 -10.797 1.00 35.28 ? 249 GLU A CB 1 ATOM 1099 C CG . GLU A 1 149 ? 29.176 -11.008 -11.845 1.00 35.48 ? 249 GLU A CG 1 ATOM 1100 C CD . GLU A 1 149 ? 27.803 -11.611 -12.070 1.00 37.32 ? 249 GLU A CD 1 ATOM 1101 O OE1 . GLU A 1 149 ? 27.620 -12.311 -13.088 1.00 37.36 ? 249 GLU A OE1 1 ATOM 1102 O OE2 . GLU A 1 149 ? 26.908 -11.386 -11.230 1.00 38.31 ? 249 GLU A OE2 1 ATOM 1103 N N . LEU A 1 150 ? 30.570 -7.888 -8.909 1.00 34.71 ? 250 LEU A N 1 ATOM 1104 C CA . LEU A 1 150 ? 30.397 -7.025 -7.738 1.00 34.40 ? 250 LEU A CA 1 ATOM 1105 C C . LEU A 1 150 ? 31.597 -6.133 -7.503 1.00 34.69 ? 250 LEU A C 1 ATOM 1106 O O . LEU A 1 150 ? 32.739 -6.600 -7.618 1.00 34.97 ? 250 LEU A O 1 ATOM 1107 C CB . LEU A 1 150 ? 30.160 -7.862 -6.483 1.00 34.28 ? 250 LEU A CB 1 ATOM 1108 C CG . LEU A 1 150 ? 29.062 -8.936 -6.422 1.00 33.81 ? 250 LEU A CG 1 ATOM 1109 C CD1 . LEU A 1 150 ? 29.497 -10.109 -5.500 1.00 33.79 ? 250 LEU A CD1 1 ATOM 1110 C CD2 . LEU A 1 150 ? 27.729 -8.367 -6.001 1.00 31.64 ? 250 LEU A CD2 1 ATOM 1111 N N . PRO A 1 151 ? 31.347 -4.857 -7.122 1.00 34.97 ? 251 PRO A N 1 ATOM 1112 C CA . PRO A 1 151 ? 32.386 -3.811 -6.957 1.00 34.76 ? 251 PRO A CA 1 ATOM 1113 C C . PRO A 1 151 ? 33.648 -4.279 -6.251 1.00 34.77 ? 251 PRO A C 1 ATOM 1114 O O . PRO A 1 151 ? 34.743 -4.085 -6.784 1.00 34.93 ? 251 PRO A O 1 ATOM 1115 C CB . PRO A 1 151 ? 31.669 -2.746 -6.145 1.00 34.90 ? 251 PRO A CB 1 ATOM 1116 C CG . PRO A 1 151 ? 30.230 -2.873 -6.624 1.00 34.96 ? 251 PRO A CG 1 ATOM 1117 C CD . PRO A 1 151 ? 29.996 -4.334 -6.818 1.00 34.43 ? 251 PRO A CD 1 ATOM 1118 N N . LEU A 1 152 ? 33.507 -4.891 -5.080 1.00 34.56 ? 252 LEU A N 1 ATOM 1119 C CA . LEU A 1 152 ? 34.653 -5.468 -4.382 1.00 34.60 ? 252 LEU A CA 1 ATOM 1120 C C . LEU A 1 152 ? 35.449 -6.401 -5.293 1.00 35.05 ? 252 LEU A C 1 ATOM 1121 O O . LEU A 1 152 ? 36.672 -6.302 -5.386 1.00 35.30 ? 252 LEU A O 1 ATOM 1122 C CB . LEU A 1 152 ? 34.195 -6.219 -3.130 1.00 34.90 ? 252 LEU A CB 1 ATOM 1123 C CG . LEU A 1 152 ? 35.184 -6.255 -1.963 1.00 34.86 ? 252 LEU A CG 1 ATOM 1124 C CD1 . LEU A 1 152 ? 34.779 -7.315 -0.949 1.00 35.45 ? 252 LEU A CD1 1 ATOM 1125 C CD2 . LEU A 1 152 ? 36.599 -6.500 -2.464 1.00 35.79 ? 252 LEU A CD2 1 ATOM 1126 N N . SER A 1 153 ? 34.740 -7.305 -5.960 1.00 34.91 ? 253 SER A N 1 ATOM 1127 C CA . SER A 1 153 ? 35.360 -8.320 -6.818 1.00 34.69 ? 253 SER A CA 1 ATOM 1128 C C . SER A 1 153 ? 36.153 -7.642 -7.932 1.00 34.17 ? 253 SER A C 1 ATOM 1129 O O . SER A 1 153 ? 37.312 -7.968 -8.186 1.00 33.85 ? 253 SER A O 1 ATOM 1130 C CB . SER A 1 153 ? 34.287 -9.257 -7.374 1.00 34.63 ? 253 SER A CB 1 ATOM 1131 O OG . SER A 1 153 ? 33.781 -10.086 -6.328 1.00 36.14 ? 253 SER A OG 1 ATOM 1132 N N . LEU A 1 154 ? 35.508 -6.673 -8.567 1.00 33.53 ? 254 LEU A N 1 ATOM 1133 C CA . LEU A 1 154 ? 36.145 -5.819 -9.536 1.00 32.91 ? 254 LEU A CA 1 ATOM 1134 C C . LEU A 1 154 ? 37.414 -5.194 -8.952 1.00 32.93 ? 254 LEU A C 1 ATOM 1135 O O . LEU A 1 154 ? 38.523 -5.348 -9.512 1.00 32.67 ? 254 LEU A O 1 ATOM 1136 C CB . LEU A 1 154 ? 35.155 -4.727 -9.943 1.00 32.94 ? 254 LEU A CB 1 ATOM 1137 C CG . LEU A 1 154 ? 35.517 -3.680 -10.988 1.00 32.20 ? 254 LEU A CG 1 ATOM 1138 C CD1 . LEU A 1 154 ? 35.968 -4.335 -12.270 1.00 32.25 ? 254 LEU A CD1 1 ATOM 1139 C CD2 . LEU A 1 154 ? 34.317 -2.776 -11.228 1.00 32.20 ? 254 LEU A CD2 1 ATOM 1140 N N . ALA A 1 155 ? 37.251 -4.515 -7.816 1.00 32.12 ? 255 ALA A N 1 ATOM 1141 C CA . ALA A 1 155 ? 38.331 -3.720 -7.258 1.00 31.71 ? 255 ALA A CA 1 ATOM 1142 C C . ALA A 1 155 ? 39.524 -4.607 -6.935 1.00 31.93 ? 255 ALA A C 1 ATOM 1143 O O . ALA A 1 155 ? 40.671 -4.177 -7.040 1.00 32.05 ? 255 ALA A O 1 ATOM 1144 C CB . ALA A 1 155 ? 37.862 -2.964 -6.045 1.00 31.49 ? 255 ALA A CB 1 ATOM 1145 N N . ALA A 1 156 ? 39.266 -5.861 -6.584 1.00 32.11 ? 256 ALA A N 1 ATOM 1146 C CA . ALA A 1 156 ? 40.369 -6.777 -6.323 1.00 32.63 ? 256 ALA A CA 1 ATOM 1147 C C . ALA A 1 156 ? 41.001 -7.295 -7.620 1.00 32.95 ? 256 ALA A C 1 ATOM 1148 O O . ALA A 1 156 ? 42.236 -7.195 -7.826 1.00 32.62 ? 256 ALA A O 1 ATOM 1149 C CB . ALA A 1 156 ? 39.918 -7.912 -5.448 1.00 32.85 ? 256 ALA A CB 1 ATOM 1150 N N . CYS A 1 157 ? 40.146 -7.814 -8.505 1.00 32.92 ? 257 CYS A N 1 ATOM 1151 C CA . CYS A 1 157 ? 40.605 -8.428 -9.747 1.00 32.95 ? 257 CYS A CA 1 ATOM 1152 C C . CYS A 1 157 ? 41.404 -7.465 -10.621 1.00 33.24 ? 257 CYS A C 1 ATOM 1153 O O . CYS A 1 157 ? 42.160 -7.885 -11.493 1.00 33.78 ? 257 CYS A O 1 ATOM 1154 C CB . CYS A 1 157 ? 39.430 -9.046 -10.484 1.00 32.24 ? 257 CYS A CB 1 ATOM 1155 S SG . CYS A 1 157 ? 38.907 -10.548 -9.625 1.00 34.71 ? 257 CYS A SG 1 ATOM 1156 N N . THR A 1 158 ? 41.261 -6.171 -10.366 1.00 33.12 ? 258 THR A N 1 ATOM 1157 C CA . THR A 1 158 ? 41.987 -5.176 -11.125 1.00 32.68 ? 258 THR A CA 1 ATOM 1158 C C . THR A 1 158 ? 43.134 -4.661 -10.278 1.00 32.55 ? 258 THR A C 1 ATOM 1159 O O . THR A 1 158 ? 43.759 -3.652 -10.604 1.00 32.39 ? 258 THR A O 1 ATOM 1160 C CB . THR A 1 158 ? 41.054 -4.019 -11.612 1.00 32.82 ? 258 THR A CB 1 ATOM 1161 O OG1 . THR A 1 158 ? 40.614 -3.222 -10.504 1.00 31.98 ? 258 THR A OG1 1 ATOM 1162 C CG2 . THR A 1 158 ? 39.832 -4.593 -12.320 1.00 32.93 ? 258 THR A CG2 1 ATOM 1163 N N . ASN A 1 159 ? 43.409 -5.367 -9.185 1.00 32.42 ? 259 ASN A N 1 ATOM 1164 C CA . ASN A 1 159 ? 44.525 -5.015 -8.314 1.00 32.30 ? 259 ASN A CA 1 ATOM 1165 C C . ASN A 1 159 ? 44.408 -3.595 -7.841 1.00 32.12 ? 259 ASN A C 1 ATOM 1166 O O . ASN A 1 159 ? 45.261 -2.770 -8.155 1.00 32.02 ? 259 ASN A O 1 ATOM 1167 C CB . ASN A 1 159 ? 45.866 -5.168 -9.034 1.00 32.05 ? 259 ASN A CB 1 ATOM 1168 C CG . ASN A 1 159 ? 47.057 -5.122 -8.078 1.00 32.53 ? 259 ASN A CG 1 ATOM 1169 O OD1 . ASN A 1 159 ? 46.898 -5.008 -6.851 1.00 30.97 ? 259 ASN A OD1 1 ATOM 1170 N ND2 . ASN A 1 159 ? 48.261 -5.221 -8.638 1.00 32.10 ? 259 ASN A ND2 1 ATOM 1171 N N . GLN A 1 160 ? 43.348 -3.301 -7.105 1.00 32.07 ? 260 GLN A N 1 ATOM 1172 C CA . GLN A 1 160 ? 43.171 -1.956 -6.616 1.00 32.28 ? 260 GLN A CA 1 ATOM 1173 C C . GLN A 1 160 ? 42.895 -1.971 -5.129 1.00 32.76 ? 260 GLN A C 1 ATOM 1174 O O . GLN A 1 160 ? 41.755 -1.792 -4.684 1.00 32.85 ? 260 GLN A O 1 ATOM 1175 C CB . GLN A 1 160 ? 42.056 -1.236 -7.368 1.00 32.13 ? 260 GLN A CB 1 ATOM 1176 C CG . GLN A 1 160 ? 42.296 -1.024 -8.823 1.00 31.41 ? 260 GLN A CG 1 ATOM 1177 C CD . GLN A 1 160 ? 41.288 -0.070 -9.435 1.00 31.79 ? 260 GLN A CD 1 ATOM 1178 O OE1 . GLN A 1 160 ? 41.421 1.161 -9.332 1.00 32.25 ? 260 GLN A OE1 1 ATOM 1179 N NE2 . GLN A 1 160 ? 40.273 -0.629 -10.082 1.00 31.19 ? 260 GLN A NE2 1 ATOM 1180 N N . LEU A 1 161 ? 43.961 -2.162 -4.362 1.00 33.43 ? 261 LEU A N 1 ATOM 1181 C CA . LEU A 1 161 ? 43.842 -2.414 -2.928 1.00 34.04 ? 261 LEU A CA 1 ATOM 1182 C C . LEU A 1 161 ? 43.092 -1.332 -2.178 1.00 34.12 ? 261 LEU A C 1 ATOM 1183 O O . LEU A 1 161 ? 42.164 -1.654 -1.448 1.00 34.40 ? 261 LEU A O 1 ATOM 1184 C CB . LEU A 1 161 ? 45.219 -2.597 -2.306 1.00 34.09 ? 261 LEU A CB 1 ATOM 1185 C CG . LEU A 1 161 ? 45.377 -3.604 -1.171 1.00 34.40 ? 261 LEU A CG 1 ATOM 1186 C CD1 . LEU A 1 161 ? 46.779 -3.441 -0.588 1.00 33.41 ? 261 LEU A CD1 1 ATOM 1187 C CD2 . LEU A 1 161 ? 44.311 -3.446 -0.103 1.00 33.76 ? 261 LEU A CD2 1 ATOM 1188 N N . ALA A 1 162 ? 43.480 -0.068 -2.368 1.00 34.53 ? 262 ALA A N 1 ATOM 1189 C CA . ALA A 1 162 ? 42.916 1.045 -1.588 1.00 35.08 ? 262 ALA A CA 1 ATOM 1190 C C . ALA A 1 162 ? 41.395 1.083 -1.659 1.00 35.65 ? 262 ALA A C 1 ATOM 1191 O O . ALA A 1 162 ? 40.710 1.347 -0.662 1.00 36.05 ? 262 ALA A O 1 ATOM 1192 C CB . ALA A 1 162 ? 43.494 2.366 -2.028 1.00 34.68 ? 262 ALA A CB 1 ATOM 1193 N N . ILE A 1 163 ? 40.879 0.795 -2.846 1.00 36.30 ? 263 ILE A N 1 ATOM 1194 C CA . ILE A 1 163 ? 39.445 0.789 -3.097 1.00 36.36 ? 263 ILE A CA 1 ATOM 1195 C C . ILE A 1 163 ? 38.799 -0.478 -2.517 1.00 36.30 ? 263 ILE A C 1 ATOM 1196 O O . ILE A 1 163 ? 37.664 -0.453 -2.021 1.00 36.10 ? 263 ILE A O 1 ATOM 1197 C CB . ILE A 1 163 ? 39.144 0.978 -4.611 1.00 36.34 ? 263 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 163 ? 39.901 2.202 -5.148 1.00 36.70 ? 263 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 163 ? 37.656 1.175 -4.852 1.00 36.71 ? 263 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 163 ? 39.454 2.680 -6.538 1.00 36.00 ? 263 ILE A CD1 1 ATOM 1201 N N . VAL A 1 164 ? 39.519 -1.587 -2.564 1.00 36.61 ? 264 VAL A N 1 ATOM 1202 C CA . VAL A 1 164 ? 39.066 -2.763 -1.835 1.00 36.92 ? 264 VAL A CA 1 ATOM 1203 C C . VAL A 1 164 ? 38.863 -2.371 -0.374 1.00 37.18 ? 264 VAL A C 1 ATOM 1204 O O . VAL A 1 164 ? 37.799 -2.640 0.212 1.00 37.38 ? 264 VAL A O 1 ATOM 1205 C CB . VAL A 1 164 ? 40.062 -3.909 -1.934 1.00 36.85 ? 264 VAL A CB 1 ATOM 1206 C CG1 . VAL A 1 164 ? 39.714 -5.010 -0.917 1.00 36.88 ? 264 VAL A CG1 1 ATOM 1207 C CG2 . VAL A 1 164 ? 40.073 -4.457 -3.353 1.00 37.15 ? 264 VAL A CG2 1 ATOM 1208 N N . LYS A 1 165 ? 39.866 -1.712 0.206 1.00 37.01 ? 265 LYS A N 1 ATOM 1209 C CA . LYS A 1 165 ? 39.756 -1.268 1.587 1.00 37.06 ? 265 LYS A CA 1 ATOM 1210 C C . LYS A 1 165 ? 38.566 -0.319 1.764 1.00 37.03 ? 265 LYS A C 1 ATOM 1211 O O . LYS A 1 165 ? 37.662 -0.603 2.545 1.00 37.38 ? 265 LYS A O 1 ATOM 1212 C CB . LYS A 1 165 ? 41.066 -0.646 2.067 1.00 37.40 ? 265 LYS A CB 1 ATOM 1213 C CG . LYS A 1 165 ? 42.126 -1.662 2.461 1.00 38.16 ? 265 LYS A CG 1 ATOM 1214 C CD . LYS A 1 165 ? 43.371 -0.983 2.997 1.00 39.75 ? 265 LYS A CD 1 ATOM 1215 C CE . LYS A 1 165 ? 44.428 -2.022 3.370 1.00 41.18 ? 265 LYS A CE 1 ATOM 1216 N NZ . LYS A 1 165 ? 45.834 -1.483 3.259 1.00 42.14 ? 265 LYS A NZ 1 ATOM 1217 N N . PHE A 1 166 ? 38.532 0.777 1.012 1.00 36.91 ? 266 PHE A N 1 ATOM 1218 C CA . PHE A 1 166 ? 37.430 1.717 1.124 1.00 36.74 ? 266 PHE A CA 1 ATOM 1219 C C . PHE A 1 166 ? 36.073 1.056 0.945 1.00 37.09 ? 266 PHE A C 1 ATOM 1220 O O . PHE A 1 166 ? 35.090 1.513 1.525 1.00 37.67 ? 266 PHE A O 1 ATOM 1221 C CB . PHE A 1 166 ? 37.556 2.865 0.131 1.00 36.70 ? 266 PHE A CB 1 ATOM 1222 C CG . PHE A 1 166 ? 36.390 3.842 0.177 1.00 37.35 ? 266 PHE A CG 1 ATOM 1223 C CD1 . PHE A 1 166 ? 35.330 3.738 -0.730 1.00 38.06 ? 266 PHE A CD1 1 ATOM 1224 C CD2 . PHE A 1 166 ? 36.351 4.872 1.128 1.00 38.06 ? 266 PHE A CD2 1 ATOM 1225 C CE1 . PHE A 1 166 ? 34.233 4.649 -0.683 1.00 38.85 ? 266 PHE A CE1 1 ATOM 1226 C CE2 . PHE A 1 166 ? 35.266 5.793 1.181 1.00 38.24 ? 266 PHE A CE2 1 ATOM 1227 C CZ . PHE A 1 166 ? 34.206 5.677 0.276 1.00 37.79 ? 266 PHE A CZ 1 ATOM 1228 N N . LEU A 1 167 ? 35.982 -0.001 0.148 1.00 36.91 ? 267 LEU A N 1 ATOM 1229 C CA . LEU A 1 167 ? 34.674 -0.613 -0.032 1.00 36.91 ? 267 LEU A CA 1 ATOM 1230 C C . LEU A 1 167 ? 34.227 -1.276 1.269 1.00 37.10 ? 267 LEU A C 1 ATOM 1231 O O . LEU A 1 167 ? 33.109 -1.032 1.761 1.00 36.93 ? 267 LEU A O 1 ATOM 1232 C CB . LEU A 1 167 ? 34.667 -1.579 -1.216 1.00 36.83 ? 267 LEU A CB 1 ATOM 1233 C CG . LEU A 1 167 ? 34.591 -0.860 -2.562 1.00 36.91 ? 267 LEU A CG 1 ATOM 1234 C CD1 . LEU A 1 167 ? 34.994 -1.748 -3.739 1.00 37.56 ? 267 LEU A CD1 1 ATOM 1235 C CD2 . LEU A 1 167 ? 33.209 -0.245 -2.785 1.00 35.88 ? 267 LEU A CD2 1 ATOM 1236 N N . LEU A 1 168 ? 35.142 -2.066 1.839 1.00 37.13 ? 268 LEU A N 1 ATOM 1237 C CA . LEU A 1 168 ? 34.903 -2.831 3.057 1.00 36.84 ? 268 LEU A CA 1 ATOM 1238 C C . LEU A 1 168 ? 34.877 -1.993 4.334 1.00 36.88 ? 268 LEU A C 1 ATOM 1239 O O . LEU A 1 168 ? 34.198 -2.358 5.318 1.00 37.27 ? 268 LEU A O 1 ATOM 1240 C CB . LEU A 1 168 ? 35.995 -3.872 3.202 1.00 36.90 ? 268 LEU A CB 1 ATOM 1241 C CG . LEU A 1 168 ? 36.008 -5.029 2.221 1.00 36.71 ? 268 LEU A CG 1 ATOM 1242 C CD1 . LEU A 1 168 ? 37.369 -5.666 2.286 1.00 35.84 ? 268 LEU A CD1 1 ATOM 1243 C CD2 . LEU A 1 168 ? 34.938 -6.036 2.608 1.00 36.69 ? 268 LEU A CD2 1 ATOM 1244 N N . GLN A 1 169 ? 35.614 -0.881 4.335 1.00 36.20 ? 269 GLN A N 1 ATOM 1245 C CA . GLN A 1 169 ? 35.762 -0.088 5.561 1.00 35.73 ? 269 GLN A CA 1 ATOM 1246 C C . GLN A 1 169 ? 34.896 1.195 5.682 1.00 35.19 ? 269 GLN A C 1 ATOM 1247 O O . GLN A 1 169 ? 34.649 1.652 6.793 1.00 35.32 ? 269 GLN A O 1 ATOM 1248 C CB . GLN A 1 169 ? 37.249 0.175 5.857 1.00 35.41 ? 269 GLN A CB 1 ATOM 1249 C CG . GLN A 1 169 ? 38.083 -1.111 5.937 1.00 35.67 ? 269 GLN A CG 1 ATOM 1250 C CD . GLN A 1 169 ? 39.479 -0.929 6.548 1.00 35.79 ? 269 GLN A CD 1 ATOM 1251 O OE1 . GLN A 1 169 ? 39.918 0.188 6.837 1.00 37.50 ? 269 GLN A OE1 1 ATOM 1252 N NE2 . GLN A 1 169 ? 40.173 -2.040 6.757 1.00 34.81 ? 269 GLN A NE2 1 ATOM 1253 N N . ASN A 1 170 ? 34.424 1.754 4.567 1.00 34.61 ? 270 ASN A N 1 ATOM 1254 C CA . ASN A 1 170 ? 33.642 3.005 4.572 1.00 34.25 ? 270 ASN A CA 1 ATOM 1255 C C . ASN A 1 170 ? 32.432 3.096 5.527 1.00 34.68 ? 270 ASN A C 1 ATOM 1256 O O . ASN A 1 170 ? 31.827 2.083 5.914 1.00 34.33 ? 270 ASN A O 1 ATOM 1257 C CB . ASN A 1 170 ? 33.207 3.383 3.148 1.00 34.09 ? 270 ASN A CB 1 ATOM 1258 C CG . ASN A 1 170 ? 32.081 2.508 2.615 1.00 32.49 ? 270 ASN A CG 1 ATOM 1259 O OD1 . ASN A 1 170 ? 30.917 2.721 2.935 1.00 30.31 ? 270 ASN A OD1 1 ATOM 1260 N ND2 . ASN A 1 170 ? 32.428 1.530 1.780 1.00 31.15 ? 270 ASN A ND2 1 ATOM 1261 N N . SER A 1 171 ? 32.089 4.336 5.878 1.00 35.17 ? 271 SER A N 1 ATOM 1262 C CA . SER A 1 171 ? 30.999 4.631 6.805 1.00 35.59 ? 271 SER A CA 1 ATOM 1263 C C . SER A 1 171 ? 29.639 4.428 6.175 1.00 36.05 ? 271 SER A C 1 ATOM 1264 O O . SER A 1 171 ? 28.662 4.234 6.886 1.00 36.43 ? 271 SER A O 1 ATOM 1265 C CB . SER A 1 171 ? 31.045 6.085 7.273 1.00 35.25 ? 271 SER A CB 1 ATOM 1266 O OG . SER A 1 171 ? 32.348 6.617 7.269 1.00 35.85 ? 271 SER A OG 1 ATOM 1267 N N . TRP A 1 172 ? 29.566 4.507 4.849 1.00 36.79 ? 272 TRP A N 1 ATOM 1268 C CA . TRP A 1 172 ? 28.272 4.650 4.172 1.00 37.18 ? 272 TRP A CA 1 ATOM 1269 C C . TRP A 1 172 ? 27.635 3.324 3.847 1.00 37.58 ? 272 TRP A C 1 ATOM 1270 O O . TRP A 1 172 ? 26.468 3.117 4.159 1.00 38.05 ? 272 TRP A O 1 ATOM 1271 C CB . TRP A 1 172 ? 28.377 5.537 2.938 1.00 36.96 ? 272 TRP A CB 1 ATOM 1272 C CG . TRP A 1 172 ? 28.947 6.851 3.260 1.00 36.51 ? 272 TRP A CG 1 ATOM 1273 C CD1 . TRP A 1 172 ? 30.280 7.176 3.327 1.00 37.12 ? 272 TRP A CD1 1 ATOM 1274 C CD2 . TRP A 1 172 ? 28.225 8.035 3.585 1.00 35.34 ? 272 TRP A CD2 1 ATOM 1275 N NE1 . TRP A 1 172 ? 30.424 8.498 3.669 1.00 36.93 ? 272 TRP A NE1 1 ATOM 1276 C CE2 . TRP A 1 172 ? 29.179 9.052 3.826 1.00 35.97 ? 272 TRP A CE2 1 ATOM 1277 C CE3 . TRP A 1 172 ? 26.864 8.345 3.677 1.00 36.69 ? 272 TRP A CE3 1 ATOM 1278 C CZ2 . TRP A 1 172 ? 28.815 10.363 4.159 1.00 37.30 ? 272 TRP A CZ2 1 ATOM 1279 C CZ3 . TRP A 1 172 ? 26.490 9.657 4.010 1.00 37.48 ? 272 TRP A CZ3 1 ATOM 1280 C CH2 . TRP A 1 172 ? 27.467 10.650 4.252 1.00 37.75 ? 272 TRP A CH2 1 ATOM 1281 N N . GLN A 1 173 ? 28.380 2.431 3.217 1.00 38.17 ? 273 GLN A N 1 ATOM 1282 C CA . GLN A 1 173 ? 27.931 1.053 3.097 1.00 39.13 ? 273 GLN A CA 1 ATOM 1283 C C . GLN A 1 173 ? 29.135 0.168 2.958 1.00 39.25 ? 273 GLN A C 1 ATOM 1284 O O . GLN A 1 173 ? 29.803 0.203 1.916 1.00 39.86 ? 273 GLN A O 1 ATOM 1285 C CB . GLN A 1 173 ? 26.991 0.848 1.908 1.00 39.07 ? 273 GLN A CB 1 ATOM 1286 C CG . GLN A 1 173 ? 26.376 -0.551 1.880 1.00 40.06 ? 273 GLN A CG 1 ATOM 1287 C CD . GLN A 1 173 ? 25.298 -0.706 0.822 1.00 40.08 ? 273 GLN A CD 1 ATOM 1288 O OE1 . GLN A 1 173 ? 24.963 0.240 0.107 1.00 41.16 ? 273 GLN A OE1 1 ATOM 1289 N NE2 . GLN A 1 173 ? 24.745 -1.908 0.723 1.00 40.33 ? 273 GLN A NE2 1 ATOM 1290 N N . PRO A 1 174 ? 29.434 -0.621 4.006 1.00 39.26 ? 274 PRO A N 1 ATOM 1291 C CA . PRO A 1 174 ? 30.568 -1.530 3.915 1.00 39.22 ? 274 PRO A CA 1 ATOM 1292 C C . PRO A 1 174 ? 30.183 -2.671 2.993 1.00 39.26 ? 274 PRO A C 1 ATOM 1293 O O . PRO A 1 174 ? 29.030 -3.126 3.030 1.00 39.58 ? 274 PRO A O 1 ATOM 1294 C CB . PRO A 1 174 ? 30.736 -2.034 5.356 1.00 39.34 ? 274 PRO A CB 1 ATOM 1295 C CG . PRO A 1 174 ? 29.390 -1.922 5.951 1.00 38.98 ? 274 PRO A CG 1 ATOM 1296 C CD . PRO A 1 174 ? 28.743 -0.724 5.305 1.00 39.15 ? 274 PRO A CD 1 ATOM 1297 N N . ALA A 1 175 ? 31.125 -3.109 2.158 1.00 39.06 ? 275 ALA A N 1 ATOM 1298 C CA . ALA A 1 175 ? 30.879 -4.226 1.249 1.00 38.44 ? 275 ALA A CA 1 ATOM 1299 C C . ALA A 1 175 ? 30.661 -5.517 2.043 1.00 38.13 ? 275 ALA A C 1 ATOM 1300 O O . ALA A 1 175 ? 31.282 -5.708 3.088 1.00 38.53 ? 275 ALA A O 1 ATOM 1301 C CB . ALA A 1 175 ? 32.035 -4.367 0.286 1.00 38.33 ? 275 ALA A CB 1 ATOM 1302 N N . ASP A 1 176 ? 29.747 -6.370 1.579 1.00 37.42 ? 276 ASP A N 1 ATOM 1303 C CA . ASP A 1 176 ? 29.614 -7.720 2.122 1.00 36.53 ? 276 ASP A CA 1 ATOM 1304 C C . ASP A 1 176 ? 30.762 -8.536 1.565 1.00 35.69 ? 276 ASP A C 1 ATOM 1305 O O . ASP A 1 176 ? 30.735 -8.916 0.400 1.00 35.57 ? 276 ASP A O 1 ATOM 1306 C CB . ASP A 1 176 ? 28.278 -8.348 1.707 1.00 36.77 ? 276 ASP A CB 1 ATOM 1307 C CG . ASP A 1 176 ? 28.176 -9.827 2.075 1.00 37.56 ? 276 ASP A CG 1 ATOM 1308 O OD1 . ASP A 1 176 ? 29.220 -10.452 2.365 1.00 38.44 ? 276 ASP A OD1 1 ATOM 1309 O OD2 . ASP A 1 176 ? 27.050 -10.375 2.071 1.00 37.95 ? 276 ASP A OD2 1 ATOM 1310 N N . ILE A 1 177 ? 31.761 -8.819 2.396 1.00 34.98 ? 277 ILE A N 1 ATOM 1311 C CA . ILE A 1 177 ? 32.965 -9.515 1.931 1.00 34.31 ? 277 ILE A CA 1 ATOM 1312 C C . ILE A 1 177 ? 32.730 -10.953 1.452 1.00 34.10 ? 277 ILE A C 1 ATOM 1313 O O . ILE A 1 177 ? 33.582 -11.536 0.776 1.00 34.97 ? 277 ILE A O 1 ATOM 1314 C CB . ILE A 1 177 ? 34.114 -9.485 2.972 1.00 34.28 ? 277 ILE A CB 1 ATOM 1315 C CG1 . ILE A 1 177 ? 35.472 -9.746 2.292 1.00 33.42 ? 277 ILE A CG1 1 ATOM 1316 C CG2 . ILE A 1 177 ? 33.837 -10.462 4.129 1.00 35.14 ? 277 ILE A CG2 1 ATOM 1317 C CD1 . ILE A 1 177 ? 36.671 -9.595 3.194 1.00 33.69 ? 277 ILE A CD1 1 ATOM 1318 N N . SER A 1 178 ? 31.581 -11.525 1.764 1.00 33.64 ? 278 SER A N 1 ATOM 1319 C CA . SER A 1 178 ? 31.332 -12.912 1.382 1.00 33.28 ? 278 SER A CA 1 ATOM 1320 C C . SER A 1 178 ? 30.278 -13.073 0.277 1.00 33.04 ? 278 SER A C 1 ATOM 1321 O O . SER A 1 178 ? 29.821 -14.187 0.018 1.00 32.99 ? 278 SER A O 1 ATOM 1322 C CB . SER A 1 178 ? 30.896 -13.696 2.616 1.00 33.31 ? 278 SER A CB 1 ATOM 1323 O OG . SER A 1 178 ? 29.631 -13.218 3.031 1.00 33.06 ? 278 SER A OG 1 ATOM 1324 N N . ALA A 1 179 ? 29.868 -11.981 -0.361 1.00 32.90 ? 279 ALA A N 1 ATOM 1325 C CA . ALA A 1 179 ? 28.795 -12.098 -1.338 1.00 32.96 ? 279 ALA A CA 1 ATOM 1326 C C . ALA A 1 179 ? 29.280 -12.973 -2.494 1.00 33.01 ? 279 ALA A C 1 ATOM 1327 O O . ALA A 1 179 ? 30.493 -13.082 -2.729 1.00 33.23 ? 279 ALA A O 1 ATOM 1328 C CB . ALA A 1 179 ? 28.305 -10.745 -1.811 1.00 32.70 ? 279 ALA A CB 1 ATOM 1329 N N . ARG A 1 180 ? 28.328 -13.633 -3.157 1.00 32.67 ? 280 ARG A N 1 ATOM 1330 C CA . ARG A 1 180 ? 28.587 -14.514 -4.280 1.00 31.94 ? 280 ARG A CA 1 ATOM 1331 C C . ARG A 1 180 ? 28.000 -13.901 -5.550 1.00 32.36 ? 280 ARG A C 1 ATOM 1332 O O . ARG A 1 180 ? 26.872 -13.399 -5.520 1.00 32.38 ? 280 ARG A O 1 ATOM 1333 C CB . ARG A 1 180 ? 27.934 -15.860 -3.995 1.00 31.99 ? 280 ARG A CB 1 ATOM 1334 C CG . ARG A 1 180 ? 28.867 -16.839 -3.267 1.00 30.50 ? 280 ARG A CG 1 ATOM 1335 C CD . ARG A 1 180 ? 28.168 -17.748 -2.299 1.00 27.44 ? 280 ARG A CD 1 ATOM 1336 N NE . ARG A 1 180 ? 26.864 -18.222 -2.771 1.00 28.99 ? 280 ARG A NE 1 ATOM 1337 C CZ . ARG A 1 180 ? 26.642 -19.415 -3.329 1.00 29.02 ? 280 ARG A CZ 1 ATOM 1338 N NH1 . ARG A 1 180 ? 27.636 -20.285 -3.512 1.00 29.18 ? 280 ARG A NH1 1 ATOM 1339 N NH2 . ARG A 1 180 ? 25.416 -19.747 -3.713 1.00 28.90 ? 280 ARG A NH2 1 ATOM 1340 N N . ASP A 1 181 ? 28.758 -13.919 -6.656 1.00 32.43 ? 281 ASP A N 1 ATOM 1341 C CA . ASP A 1 181 ? 28.236 -13.512 -7.988 1.00 32.25 ? 281 ASP A CA 1 ATOM 1342 C C . ASP A 1 181 ? 27.318 -14.566 -8.620 1.00 32.03 ? 281 ASP A C 1 ATOM 1343 O O . ASP A 1 181 ? 27.062 -15.628 -8.027 1.00 32.49 ? 281 ASP A O 1 ATOM 1344 C CB . ASP A 1 181 ? 29.369 -13.136 -8.956 1.00 32.38 ? 281 ASP A CB 1 ATOM 1345 C CG . ASP A 1 181 ? 30.102 -14.350 -9.553 1.00 33.26 ? 281 ASP A CG 1 ATOM 1346 O OD1 . ASP A 1 181 ? 31.112 -14.114 -10.252 1.00 33.55 ? 281 ASP A OD1 1 ATOM 1347 O OD2 . ASP A 1 181 ? 29.700 -15.521 -9.344 1.00 34.36 ? 281 ASP A OD2 1 ATOM 1348 N N . SER A 1 182 ? 26.832 -14.291 -9.824 1.00 31.66 ? 282 SER A N 1 ATOM 1349 C CA . SER A 1 182 ? 25.814 -15.161 -10.432 1.00 31.43 ? 282 SER A CA 1 ATOM 1350 C C . SER A 1 182 ? 26.261 -16.625 -10.496 1.00 31.29 ? 282 SER A C 1 ATOM 1351 O O . SER A 1 182 ? 25.438 -17.526 -10.416 1.00 31.10 ? 282 SER A O 1 ATOM 1352 C CB . SER A 1 182 ? 25.363 -14.639 -11.808 1.00 31.42 ? 282 SER A CB 1 ATOM 1353 O OG . SER A 1 182 ? 26.183 -15.103 -12.868 1.00 30.41 ? 282 SER A OG 1 ATOM 1354 N N . VAL A 1 183 ? 27.573 -16.832 -10.586 1.00 31.40 ? 283 VAL A N 1 ATOM 1355 C CA . VAL A 1 183 ? 28.178 -18.151 -10.707 1.00 31.70 ? 283 VAL A CA 1 ATOM 1356 C C . VAL A 1 183 ? 28.506 -18.801 -9.341 1.00 31.88 ? 283 VAL A C 1 ATOM 1357 O O . VAL A 1 183 ? 28.884 -19.973 -9.264 1.00 31.87 ? 283 VAL A O 1 ATOM 1358 C CB . VAL A 1 183 ? 29.402 -18.050 -11.657 1.00 31.80 ? 283 VAL A CB 1 ATOM 1359 C CG1 . VAL A 1 183 ? 30.588 -18.866 -11.173 1.00 33.10 ? 283 VAL A CG1 1 ATOM 1360 C CG2 . VAL A 1 183 ? 29.002 -18.439 -13.072 1.00 31.49 ? 283 VAL A CG2 1 ATOM 1361 N N . GLY A 1 184 ? 28.334 -18.041 -8.265 1.00 32.34 ? 284 GLY A N 1 ATOM 1362 C CA . GLY A 1 184 ? 28.581 -18.537 -6.917 1.00 32.96 ? 284 GLY A CA 1 ATOM 1363 C C . GLY A 1 184 ? 29.927 -18.076 -6.403 1.00 33.68 ? 284 GLY A C 1 ATOM 1364 O O . GLY A 1 184 ? 30.327 -18.376 -5.271 1.00 33.53 ? 284 GLY A O 1 ATOM 1365 N N . ASN A 1 185 ? 30.630 -17.328 -7.236 1.00 34.42 ? 285 ASN A N 1 ATOM 1366 C CA . ASN A 1 185 ? 31.972 -16.935 -6.901 1.00 35.30 ? 285 ASN A CA 1 ATOM 1367 C C . ASN A 1 185 ? 32.046 -15.765 -5.953 1.00 36.05 ? 285 ASN A C 1 ATOM 1368 O O . ASN A 1 185 ? 31.304 -14.800 -6.071 1.00 36.78 ? 285 ASN A O 1 ATOM 1369 C CB . ASN A 1 185 ? 32.771 -16.684 -8.166 1.00 35.20 ? 285 ASN A CB 1 ATOM 1370 C CG . ASN A 1 185 ? 33.147 -17.970 -8.858 1.00 35.74 ? 285 ASN A CG 1 ATOM 1371 O OD1 . ASN A 1 185 ? 33.073 -19.043 -8.267 1.00 36.49 ? 285 ASN A OD1 1 ATOM 1372 N ND2 . ASN A 1 185 ? 33.547 -17.876 -10.111 1.00 36.11 ? 285 ASN A ND2 1 ATOM 1373 N N . THR A 1 186 ? 32.928 -15.872 -4.982 1.00 36.77 ? 286 THR A N 1 ATOM 1374 C CA . THR A 1 186 ? 33.227 -14.750 -4.129 1.00 37.65 ? 286 THR A CA 1 ATOM 1375 C C . THR A 1 186 ? 34.467 -14.106 -4.701 1.00 38.40 ? 286 THR A C 1 ATOM 1376 O O . THR A 1 186 ? 35.023 -14.584 -5.713 1.00 38.45 ? 286 THR A O 1 ATOM 1377 C CB . THR A 1 186 ? 33.553 -15.212 -2.707 1.00 37.74 ? 286 THR A CB 1 ATOM 1378 O OG1 . THR A 1 186 ? 34.701 -16.078 -2.745 1.00 38.10 ? 286 THR A OG1 1 ATOM 1379 C CG2 . THR A 1 186 ? 32.356 -15.945 -2.100 1.00 37.23 ? 286 THR A CG2 1 ATOM 1380 N N . VAL A 1 187 ? 34.924 -13.050 -4.032 1.00 38.89 ? 287 VAL A N 1 ATOM 1381 C CA . VAL A 1 187 ? 36.137 -12.346 -4.434 1.00 39.65 ? 287 VAL A CA 1 ATOM 1382 C C . VAL A 1 187 ? 37.326 -13.284 -4.482 1.00 39.71 ? 287 VAL A C 1 ATOM 1383 O O . VAL A 1 187 ? 38.204 -13.123 -5.323 1.00 40.27 ? 287 VAL A O 1 ATOM 1384 C CB . VAL A 1 187 ? 36.521 -11.268 -3.439 1.00 39.88 ? 287 VAL A CB 1 ATOM 1385 C CG1 . VAL A 1 187 ? 37.201 -10.094 -4.174 1.00 40.04 ? 287 VAL A CG1 1 ATOM 1386 C CG2 . VAL A 1 187 ? 35.293 -10.834 -2.656 1.00 41.79 ? 287 VAL A CG2 1 ATOM 1387 N N . LEU A 1 188 ? 37.374 -14.249 -3.566 1.00 39.26 ? 288 LEU A N 1 ATOM 1388 C CA . LEU A 1 188 ? 38.428 -15.234 -3.610 1.00 38.44 ? 288 LEU A CA 1 ATOM 1389 C C . LEU A 1 188 ? 38.247 -16.125 -4.837 1.00 37.94 ? 288 LEU A C 1 ATOM 1390 O O . LEU A 1 188 ? 39.228 -16.355 -5.570 1.00 38.41 ? 288 LEU A O 1 ATOM 1391 C CB . LEU A 1 188 ? 38.518 -16.037 -2.306 1.00 39.27 ? 288 LEU A CB 1 ATOM 1392 C CG . LEU A 1 188 ? 38.766 -15.285 -0.984 1.00 38.99 ? 288 LEU A CG 1 ATOM 1393 C CD1 . LEU A 1 188 ? 38.906 -16.295 0.137 1.00 39.77 ? 288 LEU A CD1 1 ATOM 1394 C CD2 . LEU A 1 188 ? 39.988 -14.348 -1.044 1.00 37.86 ? 288 LEU A CD2 1 ATOM 1395 N N . HIS A 1 189 ? 37.023 -16.579 -5.109 1.00 36.59 ? 289 HIS A N 1 ATOM 1396 C CA . HIS A 1 189 ? 36.808 -17.314 -6.356 1.00 36.20 ? 289 HIS A CA 1 ATOM 1397 C C . HIS A 1 189 ? 37.226 -16.491 -7.589 1.00 35.86 ? 289 HIS A C 1 ATOM 1398 O O . HIS A 1 189 ? 37.976 -16.981 -8.433 1.00 35.48 ? 289 HIS A O 1 ATOM 1399 C CB . HIS A 1 189 ? 35.353 -17.730 -6.534 1.00 36.40 ? 289 HIS A CB 1 ATOM 1400 C CG . HIS A 1 189 ? 34.870 -18.756 -5.562 1.00 35.90 ? 289 HIS A CG 1 ATOM 1401 N ND1 . HIS A 1 189 ? 35.524 -19.946 -5.342 1.00 37.13 ? 289 HIS A ND1 1 ATOM 1402 C CD2 . HIS A 1 189 ? 33.758 -18.793 -4.796 1.00 36.28 ? 289 HIS A CD2 1 ATOM 1403 C CE1 . HIS A 1 189 ? 34.853 -20.659 -4.459 1.00 37.32 ? 289 HIS A CE1 1 ATOM 1404 N NE2 . HIS A 1 189 ? 33.774 -19.982 -4.114 1.00 37.37 ? 289 HIS A NE2 1 ATOM 1405 N N . ALA A 1 190 ? 36.740 -15.249 -7.694 1.00 35.53 ? 290 ALA A N 1 ATOM 1406 C CA . ALA A 1 190 ? 37.047 -14.403 -8.861 1.00 35.39 ? 290 ALA A CA 1 ATOM 1407 C C . ALA A 1 190 ? 38.556 -14.222 -9.077 1.00 35.64 ? 290 ALA A C 1 ATOM 1408 O O . ALA A 1 190 ? 39.035 -14.261 -10.217 1.00 35.84 ? 290 ALA A O 1 ATOM 1409 C CB . ALA A 1 190 ? 36.360 -13.067 -8.763 1.00 34.97 ? 290 ALA A CB 1 ATOM 1410 N N . LEU A 1 191 ? 39.299 -14.051 -7.980 1.00 35.27 ? 291 LEU A N 1 ATOM 1411 C CA . LEU A 1 191 ? 40.752 -13.876 -8.038 1.00 34.97 ? 291 LEU A CA 1 ATOM 1412 C C . LEU A 1 191 ? 41.427 -15.098 -8.676 1.00 35.39 ? 291 LEU A C 1 ATOM 1413 O O . LEU A 1 191 ? 42.316 -14.952 -9.549 1.00 34.76 ? 291 LEU A O 1 ATOM 1414 C CB . LEU A 1 191 ? 41.328 -13.562 -6.633 1.00 34.83 ? 291 LEU A CB 1 ATOM 1415 C CG . LEU A 1 191 ? 41.342 -12.096 -6.142 1.00 32.39 ? 291 LEU A CG 1 ATOM 1416 C CD1 . LEU A 1 191 ? 41.689 -12.038 -4.689 1.00 31.04 ? 291 LEU A CD1 1 ATOM 1417 C CD2 . LEU A 1 191 ? 42.305 -11.240 -6.942 1.00 29.50 ? 291 LEU A CD2 1 ATOM 1418 N N . VAL A 1 192 ? 40.979 -16.291 -8.243 1.00 35.67 ? 292 VAL A N 1 ATOM 1419 C CA . VAL A 1 192 ? 41.422 -17.574 -8.815 1.00 35.57 ? 292 VAL A CA 1 ATOM 1420 C C . VAL A 1 192 ? 41.102 -17.576 -10.302 1.00 35.81 ? 292 VAL A C 1 ATOM 1421 O O . VAL A 1 192 ? 41.890 -18.060 -11.108 1.00 36.03 ? 292 VAL A O 1 ATOM 1422 C CB . VAL A 1 192 ? 40.748 -18.812 -8.132 1.00 35.50 ? 292 VAL A CB 1 ATOM 1423 C CG1 . VAL A 1 192 ? 41.127 -20.087 -8.815 1.00 34.83 ? 292 VAL A CG1 1 ATOM 1424 C CG2 . VAL A 1 192 ? 41.139 -18.921 -6.672 1.00 35.71 ? 292 VAL A CG2 1 ATOM 1425 N N . GLU A 1 193 ? 39.957 -17.010 -10.673 1.00 36.13 ? 293 GLU A N 1 ATOM 1426 C CA . GLU A 1 193 ? 39.547 -17.049 -12.079 1.00 36.61 ? 293 GLU A CA 1 ATOM 1427 C C . GLU A 1 193 ? 40.395 -16.095 -12.907 1.00 35.99 ? 293 GLU A C 1 ATOM 1428 O O . GLU A 1 193 ? 40.619 -16.303 -14.099 1.00 35.94 ? 293 GLU A O 1 ATOM 1429 C CB . GLU A 1 193 ? 38.041 -16.770 -12.257 1.00 36.81 ? 293 GLU A CB 1 ATOM 1430 C CG . GLU A 1 193 ? 37.423 -17.464 -13.494 1.00 38.93 ? 293 GLU A CG 1 ATOM 1431 C CD . GLU A 1 193 ? 37.076 -18.939 -13.258 1.00 41.52 ? 293 GLU A CD 1 ATOM 1432 O OE1 . GLU A 1 193 ? 36.579 -19.282 -12.159 1.00 42.08 ? 293 GLU A OE1 1 ATOM 1433 O OE2 . GLU A 1 193 ? 37.278 -19.761 -14.181 1.00 43.41 ? 293 GLU A OE2 1 ATOM 1434 N N . VAL A 1 194 ? 40.904 -15.070 -12.247 1.00 35.71 ? 294 VAL A N 1 ATOM 1435 C CA . VAL A 1 194 ? 41.610 -14.008 -12.937 1.00 35.07 ? 294 VAL A CA 1 ATOM 1436 C C . VAL A 1 194 ? 43.118 -14.302 -13.092 1.00 34.72 ? 294 VAL A C 1 ATOM 1437 O O . VAL A 1 194 ? 43.813 -13.616 -13.841 1.00 34.59 ? 294 VAL A O 1 ATOM 1438 C CB . VAL A 1 194 ? 41.286 -12.660 -12.266 1.00 35.02 ? 294 VAL A CB 1 ATOM 1439 C CG1 . VAL A 1 194 ? 42.472 -12.106 -11.462 1.00 35.46 ? 294 VAL A CG1 1 ATOM 1440 C CG2 . VAL A 1 194 ? 40.790 -11.703 -13.295 1.00 34.68 ? 294 VAL A CG2 1 ATOM 1441 N N . ALA A 1 195 ? 43.594 -15.343 -12.411 1.00 34.58 ? 295 ALA A N 1 ATOM 1442 C CA . ALA A 1 195 ? 44.961 -15.838 -12.553 1.00 34.58 ? 295 ALA A CA 1 ATOM 1443 C C . ALA A 1 195 ? 45.197 -16.439 -13.921 1.00 34.96 ? 295 ALA A C 1 ATOM 1444 O O . ALA A 1 195 ? 44.314 -17.108 -14.467 1.00 35.16 ? 295 ALA A O 1 ATOM 1445 C CB . ALA A 1 195 ? 45.260 -16.871 -11.487 1.00 34.78 ? 295 ALA A CB 1 ATOM 1446 N N . ASP A 1 196 ? 46.397 -16.208 -14.462 1.00 35.21 ? 296 ASP A N 1 ATOM 1447 C CA . ASP A 1 196 ? 46.783 -16.707 -15.780 1.00 35.34 ? 296 ASP A CA 1 ATOM 1448 C C . ASP A 1 196 ? 48.181 -17.342 -15.808 1.00 35.55 ? 296 ASP A C 1 ATOM 1449 O O . ASP A 1 196 ? 48.799 -17.443 -16.875 1.00 35.68 ? 296 ASP A O 1 ATOM 1450 C CB . ASP A 1 196 ? 46.684 -15.585 -16.822 1.00 35.68 ? 296 ASP A CB 1 ATOM 1451 C CG . ASP A 1 196 ? 47.757 -14.486 -16.645 1.00 36.37 ? 296 ASP A CG 1 ATOM 1452 O OD1 . ASP A 1 196 ? 47.610 -13.420 -17.295 1.00 35.23 ? 296 ASP A OD1 1 ATOM 1453 O OD2 . ASP A 1 196 ? 48.734 -14.672 -15.875 1.00 36.22 ? 296 ASP A OD2 1 ATOM 1454 N N . ASN A 1 197 ? 48.680 -17.726 -14.631 1.00 35.54 ? 297 ASN A N 1 ATOM 1455 C CA . ASN A 1 197 ? 49.950 -18.455 -14.460 1.00 35.48 ? 297 ASN A CA 1 ATOM 1456 C C . ASN A 1 197 ? 51.232 -17.743 -14.901 1.00 35.25 ? 297 ASN A C 1 ATOM 1457 O O . ASN A 1 197 ? 52.278 -18.369 -15.097 1.00 35.30 ? 297 ASN A O 1 ATOM 1458 C CB . ASN A 1 197 ? 49.867 -19.844 -15.087 1.00 35.59 ? 297 ASN A CB 1 ATOM 1459 C CG . ASN A 1 197 ? 48.732 -20.659 -14.523 1.00 36.64 ? 297 ASN A CG 1 ATOM 1460 O OD1 . ASN A 1 197 ? 48.716 -20.977 -13.329 1.00 38.06 ? 297 ASN A OD1 1 ATOM 1461 N ND2 . ASN A 1 197 ? 47.767 -21.009 -15.380 1.00 36.69 ? 297 ASN A ND2 1 ATOM 1462 N N . THR A 1 198 ? 51.160 -16.432 -15.059 1.00 35.11 ? 298 THR A N 1 ATOM 1463 C CA . THR A 1 198 ? 52.372 -15.661 -15.333 1.00 34.66 ? 298 THR A CA 1 ATOM 1464 C C . THR A 1 198 ? 52.893 -15.189 -13.988 1.00 34.86 ? 298 THR A C 1 ATOM 1465 O O . THR A 1 198 ? 52.128 -15.047 -13.034 1.00 34.61 ? 298 THR A O 1 ATOM 1466 C CB . THR A 1 198 ? 52.143 -14.464 -16.302 1.00 34.34 ? 298 THR A CB 1 ATOM 1467 O OG1 . THR A 1 198 ? 51.288 -13.490 -15.691 1.00 32.72 ? 298 THR A OG1 1 ATOM 1468 C CG2 . THR A 1 198 ? 51.539 -14.942 -17.625 1.00 33.53 ? 298 THR A CG2 1 ATOM 1469 N N . VAL A 1 199 ? 54.198 -14.961 -13.906 1.00 35.38 ? 299 VAL A N 1 ATOM 1470 C CA . VAL A 1 199 ? 54.830 -14.685 -12.609 1.00 35.48 ? 299 VAL A CA 1 ATOM 1471 C C . VAL A 1 199 ? 54.284 -13.445 -11.924 1.00 35.54 ? 299 VAL A C 1 ATOM 1472 O O . VAL A 1 199 ? 53.980 -13.511 -10.740 1.00 35.69 ? 299 VAL A O 1 ATOM 1473 C CB . VAL A 1 199 ? 56.375 -14.667 -12.684 1.00 35.32 ? 299 VAL A CB 1 ATOM 1474 C CG1 . VAL A 1 199 ? 56.977 -13.980 -11.457 1.00 35.16 ? 299 VAL A CG1 1 ATOM 1475 C CG2 . VAL A 1 199 ? 56.899 -16.091 -12.824 1.00 34.90 ? 299 VAL A CG2 1 ATOM 1476 N N . ASP A 1 200 ? 54.150 -12.336 -12.662 1.00 35.62 ? 300 ASP A N 1 ATOM 1477 C CA . ASP A 1 200 ? 53.575 -11.110 -12.103 1.00 35.45 ? 300 ASP A CA 1 ATOM 1478 C C . ASP A 1 200 ? 52.088 -11.237 -11.800 1.00 35.69 ? 300 ASP A C 1 ATOM 1479 O O . ASP A 1 200 ? 51.575 -10.493 -10.958 1.00 35.84 ? 300 ASP A O 1 ATOM 1480 C CB . ASP A 1 200 ? 53.837 -9.916 -13.009 1.00 35.61 ? 300 ASP A CB 1 ATOM 1481 C CG . ASP A 1 200 ? 55.326 -9.623 -13.172 1.00 36.01 ? 300 ASP A CG 1 ATOM 1482 O OD1 . ASP A 1 200 ? 56.035 -9.622 -12.138 1.00 35.66 ? 300 ASP A OD1 1 ATOM 1483 O OD2 . ASP A 1 200 ? 55.779 -9.385 -14.322 1.00 34.15 ? 300 ASP A OD2 1 ATOM 1484 N N . ASN A 1 201 ? 51.410 -12.187 -12.463 1.00 35.91 ? 301 ASN A N 1 ATOM 1485 C CA . ASN A 1 201 ? 49.976 -12.444 -12.236 1.00 35.99 ? 301 ASN A CA 1 ATOM 1486 C C . ASN A 1 201 ? 49.748 -13.096 -10.909 1.00 36.07 ? 301 ASN A C 1 ATOM 1487 O O . ASN A 1 201 ? 48.964 -12.602 -10.109 1.00 36.19 ? 301 ASN A O 1 ATOM 1488 C CB . ASN A 1 201 ? 49.365 -13.333 -13.311 1.00 35.89 ? 301 ASN A CB 1 ATOM 1489 C CG . ASN A 1 201 ? 48.023 -13.929 -12.875 1.00 37.52 ? 301 ASN A CG 1 ATOM 1490 O OD1 . ASN A 1 201 ? 47.927 -15.132 -12.547 1.00 40.30 ? 301 ASN A OD1 1 ATOM 1491 N ND2 . ASN A 1 201 ? 46.995 -13.091 -12.836 1.00 35.39 ? 301 ASN A ND2 1 ATOM 1492 N N . THR A 1 202 ? 50.409 -14.236 -10.715 1.00 36.53 ? 302 THR A N 1 ATOM 1493 C CA . THR A 1 202 ? 50.462 -14.931 -9.444 1.00 37.03 ? 302 THR A CA 1 ATOM 1494 C C . THR A 1 202 ? 50.744 -13.932 -8.339 1.00 37.36 ? 302 THR A C 1 ATOM 1495 O O . THR A 1 202 ? 49.945 -13.787 -7.409 1.00 37.68 ? 302 THR A O 1 ATOM 1496 C CB . THR A 1 202 ? 51.568 -15.981 -9.448 1.00 36.85 ? 302 THR A CB 1 ATOM 1497 O OG1 . THR A 1 202 ? 51.104 -17.159 -10.126 1.00 38.60 ? 302 THR A OG1 1 ATOM 1498 C CG2 . THR A 1 202 ? 51.933 -16.349 -8.043 1.00 37.41 ? 302 THR A CG2 1 ATOM 1499 N N . LYS A 1 203 ? 51.863 -13.224 -8.466 1.00 37.71 ? 303 LYS A N 1 ATOM 1500 C CA . LYS A 1 203 ? 52.296 -12.268 -7.459 1.00 38.27 ? 303 LYS A CA 1 ATOM 1501 C C . LYS A 1 203 ? 51.177 -11.336 -7.017 1.00 37.43 ? 303 LYS A C 1 ATOM 1502 O O . LYS A 1 203 ? 50.902 -11.268 -5.841 1.00 37.31 ? 303 LYS A O 1 ATOM 1503 C CB . LYS A 1 203 ? 53.530 -11.472 -7.912 1.00 38.32 ? 303 LYS A CB 1 ATOM 1504 C CG . LYS A 1 203 ? 54.116 -10.629 -6.785 1.00 39.83 ? 303 LYS A CG 1 ATOM 1505 C CD . LYS A 1 203 ? 55.280 -9.745 -7.209 1.00 40.56 ? 303 LYS A CD 1 ATOM 1506 C CE . LYS A 1 203 ? 55.718 -8.878 -5.999 1.00 45.16 ? 303 LYS A CE 1 ATOM 1507 N NZ . LYS A 1 203 ? 56.286 -7.538 -6.370 1.00 46.46 ? 303 LYS A NZ 1 ATOM 1508 N N . PHE A 1 204 ? 50.515 -10.651 -7.947 1.00 37.33 ? 304 PHE A N 1 ATOM 1509 C CA . PHE A 1 204 ? 49.434 -9.728 -7.559 1.00 37.43 ? 304 PHE A CA 1 ATOM 1510 C C . PHE A 1 204 ? 48.177 -10.415 -6.999 1.00 37.02 ? 304 PHE A C 1 ATOM 1511 O O . PHE A 1 204 ? 47.604 -9.925 -6.027 1.00 36.53 ? 304 PHE A O 1 ATOM 1512 C CB . PHE A 1 204 ? 49.090 -8.716 -8.674 1.00 37.77 ? 304 PHE A CB 1 ATOM 1513 C CG . PHE A 1 204 ? 47.697 -8.865 -9.250 1.00 38.84 ? 304 PHE A CG 1 ATOM 1514 C CD1 . PHE A 1 204 ? 46.569 -8.423 -8.533 1.00 38.17 ? 304 PHE A CD1 1 ATOM 1515 C CD2 . PHE A 1 204 ? 47.507 -9.421 -10.526 1.00 39.61 ? 304 PHE A CD2 1 ATOM 1516 C CE1 . PHE A 1 204 ? 45.269 -8.552 -9.063 1.00 37.17 ? 304 PHE A CE1 1 ATOM 1517 C CE2 . PHE A 1 204 ? 46.206 -9.558 -11.061 1.00 39.02 ? 304 PHE A CE2 1 ATOM 1518 C CZ . PHE A 1 204 ? 45.089 -9.123 -10.316 1.00 38.05 ? 304 PHE A CZ 1 ATOM 1519 N N . VAL A 1 205 ? 47.759 -11.532 -7.602 1.00 36.86 ? 305 VAL A N 1 ATOM 1520 C CA . VAL A 1 205 ? 46.566 -12.244 -7.131 1.00 37.33 ? 305 VAL A CA 1 ATOM 1521 C C . VAL A 1 205 ? 46.836 -12.768 -5.743 1.00 37.78 ? 305 VAL A C 1 ATOM 1522 O O . VAL A 1 205 ? 46.041 -12.618 -4.825 1.00 38.04 ? 305 VAL A O 1 ATOM 1523 C CB . VAL A 1 205 ? 46.128 -13.416 -8.063 1.00 36.88 ? 305 VAL A CB 1 ATOM 1524 C CG1 . VAL A 1 205 ? 44.994 -14.184 -7.442 1.00 35.84 ? 305 VAL A CG1 1 ATOM 1525 C CG2 . VAL A 1 205 ? 45.638 -12.879 -9.389 1.00 37.66 ? 305 VAL A CG2 1 ATOM 1526 N N . THR A 1 206 ? 48.009 -13.351 -5.605 1.00 38.67 ? 306 THR A N 1 ATOM 1527 C CA . THR A 1 206 ? 48.430 -14.016 -4.397 1.00 39.10 ? 306 THR A CA 1 ATOM 1528 C C . THR A 1 206 ? 48.307 -13.114 -3.142 1.00 39.31 ? 306 THR A C 1 ATOM 1529 O O . THR A 1 206 ? 47.842 -13.544 -2.103 1.00 39.36 ? 306 THR A O 1 ATOM 1530 C CB . THR A 1 206 ? 49.857 -14.585 -4.665 1.00 39.16 ? 306 THR A CB 1 ATOM 1531 O OG1 . THR A 1 206 ? 49.804 -16.014 -4.661 1.00 39.78 ? 306 THR A OG1 1 ATOM 1532 C CG2 . THR A 1 206 ? 50.989 -13.995 -3.737 1.00 38.91 ? 306 THR A CG2 1 ATOM 1533 N N . SER A 1 207 ? 48.679 -11.849 -3.267 1.00 39.48 ? 307 SER A N 1 ATOM 1534 C CA . SER A 1 207 ? 48.765 -10.979 -2.119 1.00 39.53 ? 307 SER A CA 1 ATOM 1535 C C . SER A 1 207 ? 47.493 -10.179 -1.960 1.00 39.22 ? 307 SER A C 1 ATOM 1536 O O . SER A 1 207 ? 47.153 -9.751 -0.859 1.00 39.80 ? 307 SER A O 1 ATOM 1537 C CB . SER A 1 207 ? 49.956 -10.039 -2.265 1.00 40.00 ? 307 SER A CB 1 ATOM 1538 O OG . SER A 1 207 ? 49.690 -9.022 -3.221 1.00 41.34 ? 307 SER A OG 1 HETATM 1539 N N . MSE A 1 208 ? 46.800 -9.947 -3.060 1.00 38.61 ? 308 MSE A N 1 HETATM 1540 C CA . MSE A 1 208 ? 45.468 -9.393 -2.950 1.00 38.33 ? 308 MSE A CA 1 HETATM 1541 C C . MSE A 1 208 ? 44.587 -10.393 -2.233 1.00 37.59 ? 308 MSE A C 1 HETATM 1542 O O . MSE A 1 208 ? 43.762 -10.018 -1.419 1.00 37.64 ? 308 MSE A O 1 HETATM 1543 C CB . MSE A 1 208 ? 44.892 -9.048 -4.309 1.00 38.47 ? 308 MSE A CB 1 HETATM 1544 C CG . MSE A 1 208 ? 43.462 -8.587 -4.228 1.00 39.17 ? 308 MSE A CG 1 HETATM 1545 SE SE . MSE A 1 208 ? 43.321 -6.932 -3.268 1.00 40.67 ? 308 MSE A SE 1 HETATM 1546 C CE . MSE A 1 208 ? 44.890 -6.042 -4.013 1.00 39.61 ? 308 MSE A CE 1 ATOM 1547 N N . TYR A 1 209 ? 44.797 -11.668 -2.521 1.00 37.06 ? 309 TYR A N 1 ATOM 1548 C CA . TYR A 1 209 ? 44.123 -12.758 -1.807 1.00 37.16 ? 309 TYR A CA 1 ATOM 1549 C C . TYR A 1 209 ? 44.422 -12.639 -0.306 1.00 36.66 ? 309 TYR A C 1 ATOM 1550 O O . TYR A 1 209 ? 43.515 -12.500 0.522 1.00 36.33 ? 309 TYR A O 1 ATOM 1551 C CB . TYR A 1 209 ? 44.633 -14.096 -2.362 1.00 37.28 ? 309 TYR A CB 1 ATOM 1552 C CG . TYR A 1 209 ? 43.836 -15.358 -2.041 1.00 37.06 ? 309 TYR A CG 1 ATOM 1553 C CD1 . TYR A 1 209 ? 42.817 -15.815 -2.896 1.00 36.05 ? 309 TYR A CD1 1 ATOM 1554 C CD2 . TYR A 1 209 ? 44.152 -16.139 -0.926 1.00 35.93 ? 309 TYR A CD2 1 ATOM 1555 C CE1 . TYR A 1 209 ? 42.100 -17.007 -2.625 1.00 34.57 ? 309 TYR A CE1 1 ATOM 1556 C CE2 . TYR A 1 209 ? 43.450 -17.318 -0.652 1.00 36.67 ? 309 TYR A CE2 1 ATOM 1557 C CZ . TYR A 1 209 ? 42.424 -17.750 -1.506 1.00 36.95 ? 309 TYR A CZ 1 ATOM 1558 O OH . TYR A 1 209 ? 41.747 -18.935 -1.210 1.00 38.50 ? 309 TYR A OH 1 ATOM 1559 N N . ASN A 1 210 ? 45.712 -12.676 0.015 1.00 36.13 ? 310 ASN A N 1 ATOM 1560 C CA . ASN A 1 210 ? 46.241 -12.412 1.358 1.00 35.67 ? 310 ASN A CA 1 ATOM 1561 C C . ASN A 1 210 ? 45.554 -11.235 2.015 1.00 35.02 ? 310 ASN A C 1 ATOM 1562 O O . ASN A 1 210 ? 45.033 -11.341 3.118 1.00 34.58 ? 310 ASN A O 1 ATOM 1563 C CB . ASN A 1 210 ? 47.740 -12.124 1.240 1.00 35.84 ? 310 ASN A CB 1 ATOM 1564 C CG . ASN A 1 210 ? 48.422 -11.931 2.575 1.00 36.59 ? 310 ASN A CG 1 ATOM 1565 O OD1 . ASN A 1 210 ? 48.416 -12.811 3.434 1.00 38.00 ? 310 ASN A OD1 1 ATOM 1566 N ND2 . ASN A 1 210 ? 49.062 -10.785 2.738 1.00 38.00 ? 310 ASN A ND2 1 ATOM 1567 N N . GLU A 1 211 ? 45.531 -10.120 1.303 1.00 34.86 ? 311 GLU A N 1 ATOM 1568 C CA . GLU A 1 211 ? 44.901 -8.907 1.791 1.00 34.91 ? 311 GLU A CA 1 ATOM 1569 C C . GLU A 1 211 ? 43.445 -9.059 2.161 1.00 34.47 ? 311 GLU A C 1 ATOM 1570 O O . GLU A 1 211 ? 42.989 -8.494 3.143 1.00 34.49 ? 311 GLU A O 1 ATOM 1571 C CB . GLU A 1 211 ? 44.983 -7.840 0.738 1.00 35.02 ? 311 GLU A CB 1 ATOM 1572 C CG . GLU A 1 211 ? 45.354 -6.558 1.335 1.00 37.21 ? 311 GLU A CG 1 ATOM 1573 C CD . GLU A 1 211 ? 46.686 -6.659 1.999 1.00 39.96 ? 311 GLU A CD 1 ATOM 1574 O OE1 . GLU A 1 211 ? 47.651 -7.144 1.343 1.00 41.50 ? 311 GLU A OE1 1 ATOM 1575 O OE2 . GLU A 1 211 ? 46.750 -6.271 3.179 1.00 42.04 ? 311 GLU A OE2 1 ATOM 1576 N N . ILE A 1 212 ? 42.712 -9.800 1.345 1.00 34.43 ? 312 ILE A N 1 ATOM 1577 C CA . ILE A 1 212 ? 41.290 -10.023 1.586 1.00 34.08 ? 312 ILE A CA 1 ATOM 1578 C C . ILE A 1 212 ? 41.088 -10.804 2.862 1.00 33.76 ? 312 ILE A C 1 ATOM 1579 O O . ILE A 1 212 ? 40.194 -10.496 3.656 1.00 33.16 ? 312 ILE A O 1 ATOM 1580 C CB . ILE A 1 212 ? 40.638 -10.787 0.409 1.00 34.49 ? 312 ILE A CB 1 ATOM 1581 C CG1 . ILE A 1 212 ? 40.481 -9.871 -0.833 1.00 32.90 ? 312 ILE A CG1 1 ATOM 1582 C CG2 . ILE A 1 212 ? 39.325 -11.452 0.852 1.00 33.95 ? 312 ILE A CG2 1 ATOM 1583 C CD1 . ILE A 1 212 ? 39.555 -8.698 -0.645 1.00 30.60 ? 312 ILE A CD1 1 ATOM 1584 N N . LEU A 1 213 ? 41.928 -11.817 3.050 1.00 33.86 ? 313 LEU A N 1 ATOM 1585 C CA . LEU A 1 213 ? 41.826 -12.656 4.225 1.00 33.99 ? 313 LEU A CA 1 ATOM 1586 C C . LEU A 1 213 ? 42.141 -11.838 5.473 1.00 34.81 ? 313 LEU A C 1 ATOM 1587 O O . LEU A 1 213 ? 41.356 -11.849 6.425 1.00 35.41 ? 313 LEU A O 1 ATOM 1588 C CB . LEU A 1 213 ? 42.710 -13.889 4.089 1.00 33.51 ? 313 LEU A CB 1 ATOM 1589 C CG . LEU A 1 213 ? 42.228 -14.950 3.082 1.00 32.42 ? 313 LEU A CG 1 ATOM 1590 C CD1 . LEU A 1 213 ? 43.181 -16.142 3.023 1.00 27.28 ? 313 LEU A CD1 1 ATOM 1591 C CD2 . LEU A 1 213 ? 40.794 -15.425 3.383 1.00 29.76 ? 313 LEU A CD2 1 ATOM 1592 N N . ILE A 1 214 ? 43.238 -11.072 5.437 1.00 35.08 ? 314 ILE A N 1 ATOM 1593 C CA . ILE A 1 214 ? 43.618 -10.198 6.552 1.00 35.14 ? 314 ILE A CA 1 ATOM 1594 C C . ILE A 1 214 ? 42.467 -9.267 6.931 1.00 35.43 ? 314 ILE A C 1 ATOM 1595 O O . ILE A 1 214 ? 42.278 -8.949 8.107 1.00 36.07 ? 314 ILE A O 1 ATOM 1596 C CB . ILE A 1 214 ? 44.872 -9.346 6.231 1.00 35.07 ? 314 ILE A CB 1 ATOM 1597 C CG1 . ILE A 1 214 ? 46.120 -10.222 6.137 1.00 35.14 ? 314 ILE A CG1 1 ATOM 1598 C CG2 . ILE A 1 214 ? 45.110 -8.280 7.304 1.00 35.13 ? 314 ILE A CG2 1 ATOM 1599 C CD1 . ILE A 1 214 ? 47.258 -9.544 5.406 1.00 34.95 ? 314 ILE A CD1 1 ATOM 1600 N N . LEU A 1 215 ? 41.708 -8.836 5.932 1.00 35.37 ? 315 LEU A N 1 ATOM 1601 C CA . LEU A 1 215 ? 40.601 -7.913 6.141 1.00 35.44 ? 315 LEU A CA 1 ATOM 1602 C C . LEU A 1 215 ? 39.384 -8.652 6.662 1.00 35.70 ? 315 LEU A C 1 ATOM 1603 O O . LEU A 1 215 ? 38.611 -8.111 7.443 1.00 35.55 ? 315 LEU A O 1 ATOM 1604 C CB . LEU A 1 215 ? 40.254 -7.206 4.833 1.00 35.15 ? 315 LEU A CB 1 ATOM 1605 C CG . LEU A 1 215 ? 40.895 -5.858 4.504 1.00 35.30 ? 315 LEU A CG 1 ATOM 1606 C CD1 . LEU A 1 215 ? 42.318 -5.718 5.042 1.00 38.15 ? 315 LEU A CD1 1 ATOM 1607 C CD2 . LEU A 1 215 ? 40.887 -5.671 3.012 1.00 36.50 ? 315 LEU A CD2 1 ATOM 1608 N N . GLY A 1 216 ? 39.218 -9.891 6.206 1.00 36.01 ? 316 GLY A N 1 ATOM 1609 C CA . GLY A 1 216 ? 38.139 -10.732 6.673 1.00 36.12 ? 316 GLY A CA 1 ATOM 1610 C C . GLY A 1 216 ? 38.294 -10.936 8.161 1.00 36.42 ? 316 GLY A C 1 ATOM 1611 O O . GLY A 1 216 ? 37.380 -10.629 8.925 1.00 36.66 ? 316 GLY A O 1 ATOM 1612 N N . ALA A 1 217 ? 39.469 -11.431 8.556 1.00 36.32 ? 317 ALA A N 1 ATOM 1613 C CA . ALA A 1 217 ? 39.815 -11.698 9.952 1.00 36.19 ? 317 ALA A CA 1 ATOM 1614 C C . ALA A 1 217 ? 39.837 -10.463 10.864 1.00 36.17 ? 317 ALA A C 1 ATOM 1615 O O . ALA A 1 217 ? 39.527 -10.555 12.066 1.00 36.66 ? 317 ALA A O 1 ATOM 1616 C CB . ALA A 1 217 ? 41.150 -12.430 10.022 1.00 36.16 ? 317 ALA A CB 1 ATOM 1617 N N . LYS A 1 218 ? 40.207 -9.311 10.310 1.00 35.86 ? 318 LYS A N 1 ATOM 1618 C CA . LYS A 1 218 ? 40.183 -8.073 11.077 1.00 35.39 ? 318 LYS A CA 1 ATOM 1619 C C . LYS A 1 218 ? 38.737 -7.668 11.320 1.00 35.49 ? 318 LYS A C 1 ATOM 1620 O O . LYS A 1 218 ? 38.302 -7.567 12.452 1.00 35.14 ? 318 LYS A O 1 ATOM 1621 C CB . LYS A 1 218 ? 40.930 -6.970 10.332 1.00 35.45 ? 318 LYS A CB 1 ATOM 1622 C CG . LYS A 1 218 ? 41.328 -5.788 11.201 1.00 35.16 ? 318 LYS A CG 1 ATOM 1623 C CD . LYS A 1 218 ? 42.127 -4.756 10.411 1.00 34.94 ? 318 LYS A CD 1 ATOM 1624 C CE . LYS A 1 218 ? 41.242 -3.951 9.466 1.00 33.74 ? 318 LYS A CE 1 ATOM 1625 N NZ . LYS A 1 218 ? 42.003 -2.875 8.790 1.00 33.48 ? 318 LYS A NZ 1 ATOM 1626 N N . LEU A 1 219 ? 37.996 -7.481 10.232 1.00 35.90 ? 319 LEU A N 1 ATOM 1627 C CA . LEU A 1 219 ? 36.631 -6.963 10.264 1.00 36.33 ? 319 LEU A CA 1 ATOM 1628 C C . LEU A 1 219 ? 35.555 -7.965 10.729 1.00 37.06 ? 319 LEU A C 1 ATOM 1629 O O . LEU A 1 219 ? 34.657 -7.605 11.504 1.00 37.33 ? 319 LEU A O 1 ATOM 1630 C CB . LEU A 1 219 ? 36.267 -6.427 8.882 1.00 36.04 ? 319 LEU A CB 1 ATOM 1631 C CG . LEU A 1 219 ? 36.412 -4.954 8.485 1.00 35.83 ? 319 LEU A CG 1 ATOM 1632 C CD1 . LEU A 1 219 ? 37.384 -4.127 9.325 1.00 34.65 ? 319 LEU A CD1 1 ATOM 1633 C CD2 . LEU A 1 219 ? 36.779 -4.904 7.018 1.00 35.76 ? 319 LEU A CD2 1 ATOM 1634 N N . HIS A 1 220 ? 35.623 -9.207 10.254 1.00 37.30 ? 320 HIS A N 1 ATOM 1635 C CA . HIS A 1 220 ? 34.557 -10.160 10.528 1.00 37.59 ? 320 HIS A CA 1 ATOM 1636 C C . HIS A 1 220 ? 35.136 -11.531 10.776 1.00 37.84 ? 320 HIS A C 1 ATOM 1637 O O . HIS A 1 220 ? 35.144 -12.351 9.873 1.00 38.14 ? 320 HIS A O 1 ATOM 1638 C CB . HIS A 1 220 ? 33.579 -10.210 9.359 1.00 37.47 ? 320 HIS A CB 1 ATOM 1639 C CG . HIS A 1 220 ? 33.177 -8.865 8.859 1.00 36.70 ? 320 HIS A CG 1 ATOM 1640 N ND1 . HIS A 1 220 ? 32.227 -8.094 9.491 1.00 36.92 ? 320 HIS A ND1 1 ATOM 1641 C CD2 . HIS A 1 220 ? 33.607 -8.146 7.795 1.00 36.05 ? 320 HIS A CD2 1 ATOM 1642 C CE1 . HIS A 1 220 ? 32.089 -6.952 8.838 1.00 37.53 ? 320 HIS A CE1 1 ATOM 1643 N NE2 . HIS A 1 220 ? 32.921 -6.955 7.808 1.00 37.32 ? 320 HIS A NE2 1 ATOM 1644 N N . PRO A 1 221 ? 35.606 -11.786 12.010 1.00 38.21 ? 321 PRO A N 1 ATOM 1645 C CA . PRO A 1 221 ? 36.494 -12.912 12.371 1.00 38.61 ? 321 PRO A CA 1 ATOM 1646 C C . PRO A 1 221 ? 35.842 -14.294 12.305 1.00 39.13 ? 321 PRO A C 1 ATOM 1647 O O . PRO A 1 221 ? 36.530 -15.307 12.122 1.00 39.01 ? 321 PRO A O 1 ATOM 1648 C CB . PRO A 1 221 ? 36.899 -12.597 13.825 1.00 38.37 ? 321 PRO A CB 1 ATOM 1649 C CG . PRO A 1 221 ? 36.442 -11.212 14.092 1.00 37.91 ? 321 PRO A CG 1 ATOM 1650 C CD . PRO A 1 221 ? 35.276 -10.968 13.185 1.00 38.13 ? 321 PRO A CD 1 ATOM 1651 N N . THR A 1 222 ? 34.521 -14.311 12.464 1.00 40.11 ? 322 THR A N 1 ATOM 1652 C CA . THR A 1 222 ? 33.717 -15.533 12.506 1.00 40.57 ? 322 THR A CA 1 ATOM 1653 C C . THR A 1 222 ? 33.640 -16.233 11.153 1.00 41.42 ? 322 THR A C 1 ATOM 1654 O O . THR A 1 222 ? 33.362 -17.433 11.104 1.00 41.51 ? 322 THR A O 1 ATOM 1655 C CB . THR A 1 222 ? 32.281 -15.223 12.960 1.00 40.04 ? 322 THR A CB 1 ATOM 1656 O OG1 . THR A 1 222 ? 31.854 -13.974 12.386 1.00 39.80 ? 322 THR A OG1 1 ATOM 1657 C CG2 . THR A 1 222 ? 32.242 -15.122 14.453 1.00 40.08 ? 322 THR A CG2 1 ATOM 1658 N N . LEU A 1 223 ? 33.885 -15.477 10.074 1.00 42.09 ? 323 LEU A N 1 ATOM 1659 C CA . LEU A 1 223 ? 33.649 -15.935 8.704 1.00 43.00 ? 323 LEU A CA 1 ATOM 1660 C C . LEU A 1 223 ? 34.772 -16.818 8.203 1.00 43.40 ? 323 LEU A C 1 ATOM 1661 O O . LEU A 1 223 ? 35.920 -16.387 8.109 1.00 43.62 ? 323 LEU A O 1 ATOM 1662 C CB . LEU A 1 223 ? 33.422 -14.749 7.752 1.00 43.03 ? 323 LEU A CB 1 ATOM 1663 C CG . LEU A 1 223 ? 32.051 -14.039 7.789 1.00 45.37 ? 323 LEU A CG 1 ATOM 1664 C CD1 . LEU A 1 223 ? 30.879 -15.045 7.918 1.00 47.09 ? 323 LEU A CD1 1 ATOM 1665 C CD2 . LEU A 1 223 ? 31.918 -12.977 8.904 1.00 47.11 ? 323 LEU A CD2 1 ATOM 1666 N N . LYS A 1 224 ? 34.440 -18.070 7.909 1.00 43.96 ? 324 LYS A N 1 ATOM 1667 C CA . LYS A 1 224 ? 35.410 -18.988 7.319 1.00 44.34 ? 324 LYS A CA 1 ATOM 1668 C C . LYS A 1 224 ? 35.354 -18.847 5.789 1.00 44.17 ? 324 LYS A C 1 ATOM 1669 O O . LYS A 1 224 ? 34.669 -19.601 5.092 1.00 44.41 ? 324 LYS A O 1 ATOM 1670 C CB . LYS A 1 224 ? 35.184 -20.433 7.810 1.00 44.68 ? 324 LYS A CB 1 ATOM 1671 C CG . LYS A 1 224 ? 35.729 -20.729 9.232 1.00 44.37 ? 324 LYS A CG 1 ATOM 1672 C CD . LYS A 1 224 ? 35.533 -22.211 9.624 1.00 44.86 ? 324 LYS A CD 1 ATOM 1673 C CE . LYS A 1 224 ? 36.561 -22.693 10.685 1.00 46.09 ? 324 LYS A CE 1 ATOM 1674 N NZ . LYS A 1 224 ? 36.237 -24.009 11.363 1.00 44.43 ? 324 LYS A NZ 1 ATOM 1675 N N . LEU A 1 225 ? 36.080 -17.850 5.291 1.00 43.78 ? 325 LEU A N 1 ATOM 1676 C CA . LEU A 1 225 ? 36.016 -17.438 3.900 1.00 42.83 ? 325 LEU A CA 1 ATOM 1677 C C . LEU A 1 225 ? 36.433 -18.498 2.910 1.00 42.54 ? 325 LEU A C 1 ATOM 1678 O O . LEU A 1 225 ? 35.830 -18.622 1.854 1.00 42.49 ? 325 LEU A O 1 ATOM 1679 C CB . LEU A 1 225 ? 36.878 -16.200 3.702 1.00 42.52 ? 325 LEU A CB 1 ATOM 1680 C CG . LEU A 1 225 ? 36.179 -14.865 3.469 1.00 41.52 ? 325 LEU A CG 1 ATOM 1681 C CD1 . LEU A 1 225 ? 34.830 -14.777 4.153 1.00 40.61 ? 325 LEU A CD1 1 ATOM 1682 C CD2 . LEU A 1 225 ? 37.085 -13.715 3.894 1.00 40.54 ? 325 LEU A CD2 1 ATOM 1683 N N . GLU A 1 226 ? 37.464 -19.264 3.236 1.00 42.52 ? 326 GLU A N 1 ATOM 1684 C CA . GLU A 1 226 ? 38.031 -20.150 2.227 1.00 42.43 ? 326 GLU A CA 1 ATOM 1685 C C . GLU A 1 226 ? 37.222 -21.418 2.063 1.00 42.37 ? 326 GLU A C 1 ATOM 1686 O O . GLU A 1 226 ? 37.493 -22.228 1.177 1.00 42.67 ? 326 GLU A O 1 ATOM 1687 C CB . GLU A 1 226 ? 39.471 -20.472 2.544 1.00 42.16 ? 326 GLU A CB 1 ATOM 1688 C CG . GLU A 1 226 ? 40.416 -19.341 2.274 1.00 43.23 ? 326 GLU A CG 1 ATOM 1689 C CD . GLU A 1 226 ? 41.826 -19.678 2.708 1.00 45.61 ? 326 GLU A CD 1 ATOM 1690 O OE1 . GLU A 1 226 ? 42.116 -19.592 3.934 1.00 44.38 ? 326 GLU A OE1 1 ATOM 1691 O OE2 . GLU A 1 226 ? 42.637 -20.037 1.812 1.00 47.20 ? 326 GLU A OE2 1 ATOM 1692 N N . GLU A 1 227 ? 36.218 -21.578 2.911 1.00 42.14 ? 327 GLU A N 1 ATOM 1693 C CA . GLU A 1 227 ? 35.346 -22.734 2.836 1.00 42.71 ? 327 GLU A CA 1 ATOM 1694 C C . GLU A 1 227 ? 34.100 -22.545 1.937 1.00 42.18 ? 327 GLU A C 1 ATOM 1695 O O . GLU A 1 227 ? 33.411 -23.528 1.613 1.00 41.87 ? 327 GLU A O 1 ATOM 1696 C CB . GLU A 1 227 ? 34.919 -23.144 4.239 1.00 42.80 ? 327 GLU A CB 1 ATOM 1697 C CG . GLU A 1 227 ? 36.078 -23.476 5.166 1.00 44.22 ? 327 GLU A CG 1 ATOM 1698 C CD . GLU A 1 227 ? 35.618 -23.992 6.529 1.00 44.19 ? 327 GLU A CD 1 ATOM 1699 O OE1 . GLU A 1 227 ? 36.422 -24.696 7.181 1.00 46.64 ? 327 GLU A OE1 1 ATOM 1700 O OE2 . GLU A 1 227 ? 34.466 -23.704 6.951 1.00 45.60 ? 327 GLU A OE2 1 ATOM 1701 N N . ILE A 1 228 ? 33.832 -21.300 1.531 1.00 41.59 ? 328 ILE A N 1 ATOM 1702 C CA . ILE A 1 228 ? 32.636 -20.952 0.744 1.00 40.96 ? 328 ILE A CA 1 ATOM 1703 C C . ILE A 1 228 ? 32.691 -21.452 -0.707 1.00 40.45 ? 328 ILE A C 1 ATOM 1704 O O . ILE A 1 228 ? 33.574 -21.050 -1.480 1.00 40.35 ? 328 ILE A O 1 ATOM 1705 C CB . ILE A 1 228 ? 32.396 -19.433 0.726 1.00 41.06 ? 328 ILE A CB 1 ATOM 1706 C CG1 . ILE A 1 228 ? 32.352 -18.866 2.147 1.00 41.36 ? 328 ILE A CG1 1 ATOM 1707 C CG2 . ILE A 1 228 ? 31.111 -19.108 -0.016 1.00 41.58 ? 328 ILE A CG2 1 ATOM 1708 C CD1 . ILE A 1 228 ? 32.349 -17.321 2.199 1.00 40.81 ? 328 ILE A CD1 1 ATOM 1709 N N . THR A 1 229 ? 31.707 -22.286 -1.060 1.00 39.85 ? 329 THR A N 1 ATOM 1710 C CA . THR A 1 229 ? 31.599 -22.979 -2.353 1.00 39.26 ? 329 THR A CA 1 ATOM 1711 C C . THR A 1 229 ? 30.874 -22.165 -3.438 1.00 39.24 ? 329 THR A C 1 ATOM 1712 O O . THR A 1 229 ? 29.801 -21.605 -3.191 1.00 39.32 ? 329 THR A O 1 ATOM 1713 C CB . THR A 1 229 ? 30.836 -24.291 -2.176 1.00 39.26 ? 329 THR A CB 1 ATOM 1714 O OG1 . THR A 1 229 ? 29.471 -24.004 -1.833 1.00 39.04 ? 329 THR A OG1 1 ATOM 1715 C CG2 . THR A 1 229 ? 31.467 -25.141 -1.073 1.00 38.96 ? 329 THR A CG2 1 ATOM 1716 N N . ASN A 1 230 ? 31.453 -22.111 -4.639 1.00 39.03 ? 330 ASN A N 1 ATOM 1717 C CA . ASN A 1 230 ? 30.789 -21.495 -5.803 1.00 38.49 ? 330 ASN A CA 1 ATOM 1718 C C . ASN A 1 230 ? 29.656 -22.391 -6.309 1.00 38.73 ? 330 ASN A C 1 ATOM 1719 O O . ASN A 1 230 ? 29.488 -23.500 -5.795 1.00 39.12 ? 330 ASN A O 1 ATOM 1720 C CB . ASN A 1 230 ? 31.811 -21.171 -6.908 1.00 38.28 ? 330 ASN A CB 1 ATOM 1721 C CG . ASN A 1 230 ? 32.302 -22.405 -7.673 1.00 36.09 ? 330 ASN A CG 1 ATOM 1722 O OD1 . ASN A 1 230 ? 31.808 -23.510 -7.504 1.00 32.83 ? 330 ASN A OD1 1 ATOM 1723 N ND2 . ASN A 1 230 ? 33.283 -22.196 -8.530 1.00 34.32 ? 330 ASN A ND2 1 ATOM 1724 N N . ARG A 1 231 ? 28.875 -21.963 -7.297 1.00 38.84 ? 331 ARG A N 1 ATOM 1725 C CA . ARG A 1 231 ? 27.685 -22.778 -7.649 1.00 39.07 ? 331 ARG A CA 1 ATOM 1726 C C . ARG A 1 231 ? 27.984 -24.207 -8.130 1.00 38.96 ? 331 ARG A C 1 ATOM 1727 O O . ARG A 1 231 ? 27.092 -25.048 -8.183 1.00 38.93 ? 331 ARG A O 1 ATOM 1728 C CB . ARG A 1 231 ? 26.717 -22.049 -8.580 1.00 38.97 ? 331 ARG A CB 1 ATOM 1729 C CG . ARG A 1 231 ? 25.557 -21.461 -7.817 1.00 40.52 ? 331 ARG A CG 1 ATOM 1730 C CD . ARG A 1 231 ? 24.650 -20.600 -8.686 1.00 43.78 ? 331 ARG A CD 1 ATOM 1731 N NE . ARG A 1 231 ? 23.612 -19.915 -7.898 1.00 45.35 ? 331 ARG A NE 1 ATOM 1732 C CZ . ARG A 1 231 ? 22.442 -20.451 -7.533 1.00 46.51 ? 331 ARG A CZ 1 ATOM 1733 N NH1 . ARG A 1 231 ? 22.126 -21.703 -7.868 1.00 46.01 ? 331 ARG A NH1 1 ATOM 1734 N NH2 . ARG A 1 231 ? 21.580 -19.731 -6.820 1.00 46.99 ? 331 ARG A NH2 1 ATOM 1735 N N . LYS A 1 232 ? 29.248 -24.471 -8.447 1.00 39.20 ? 332 LYS A N 1 ATOM 1736 C CA . LYS A 1 232 ? 29.702 -25.800 -8.858 1.00 39.52 ? 332 LYS A CA 1 ATOM 1737 C C . LYS A 1 232 ? 30.265 -26.635 -7.676 1.00 39.12 ? 332 LYS A C 1 ATOM 1738 O O . LYS A 1 232 ? 30.909 -27.674 -7.869 1.00 38.79 ? 332 LYS A O 1 ATOM 1739 C CB . LYS A 1 232 ? 30.729 -25.683 -9.999 1.00 39.64 ? 332 LYS A CB 1 ATOM 1740 C CG . LYS A 1 232 ? 30.143 -25.419 -11.406 1.00 40.88 ? 332 LYS A CG 1 ATOM 1741 C CD . LYS A 1 232 ? 31.217 -25.586 -12.513 1.00 40.82 ? 332 LYS A CD 1 ATOM 1742 C CE . LYS A 1 232 ? 31.026 -24.587 -13.674 1.00 42.09 ? 332 LYS A CE 1 ATOM 1743 N NZ . LYS A 1 232 ? 32.162 -24.647 -14.649 1.00 41.79 ? 332 LYS A NZ 1 ATOM 1744 N N . GLY A 1 233 ? 30.007 -26.176 -6.452 1.00 39.06 ? 333 GLY A N 1 ATOM 1745 C CA . GLY A 1 233 ? 30.465 -26.874 -5.248 1.00 38.52 ? 333 GLY A CA 1 ATOM 1746 C C . GLY A 1 233 ? 31.934 -26.697 -4.908 1.00 38.03 ? 333 GLY A C 1 ATOM 1747 O O . GLY A 1 233 ? 32.455 -27.432 -4.076 1.00 38.36 ? 333 GLY A O 1 ATOM 1748 N N . LEU A 1 234 ? 32.589 -25.711 -5.519 1.00 37.34 ? 334 LEU A N 1 ATOM 1749 C CA . LEU A 1 234 ? 34.027 -25.546 -5.385 1.00 36.85 ? 334 LEU A CA 1 ATOM 1750 C C . LEU A 1 234 ? 34.418 -24.449 -4.421 1.00 36.97 ? 334 LEU A C 1 ATOM 1751 O O . LEU A 1 234 ? 33.996 -23.306 -4.573 1.00 36.82 ? 334 LEU A O 1 ATOM 1752 C CB . LEU A 1 234 ? 34.646 -25.227 -6.743 1.00 36.71 ? 334 LEU A CB 1 ATOM 1753 C CG . LEU A 1 234 ? 34.351 -26.227 -7.858 1.00 36.28 ? 334 LEU A CG 1 ATOM 1754 C CD1 . LEU A 1 234 ? 34.878 -25.711 -9.177 1.00 35.22 ? 334 LEU A CD1 1 ATOM 1755 C CD2 . LEU A 1 234 ? 34.952 -27.588 -7.531 1.00 36.12 ? 334 LEU A CD2 1 ATOM 1756 N N . THR A 1 235 ? 35.238 -24.803 -3.435 1.00 36.89 ? 335 THR A N 1 ATOM 1757 C CA . THR A 1 235 ? 35.980 -23.811 -2.667 1.00 36.74 ? 335 THR A CA 1 ATOM 1758 C C . THR A 1 235 ? 36.960 -23.130 -3.621 1.00 36.68 ? 335 THR A C 1 ATOM 1759 O O . THR A 1 235 ? 37.277 -23.709 -4.669 1.00 36.82 ? 335 THR A O 1 ATOM 1760 C CB . THR A 1 235 ? 36.807 -24.456 -1.535 1.00 36.74 ? 335 THR A CB 1 ATOM 1761 O OG1 . THR A 1 235 ? 37.850 -25.275 -2.098 1.00 37.07 ? 335 THR A OG1 1 ATOM 1762 C CG2 . THR A 1 235 ? 35.924 -25.266 -0.628 1.00 36.34 ? 335 THR A CG2 1 ATOM 1763 N N . PRO A 1 236 ? 37.470 -21.925 -3.254 1.00 36.46 ? 336 PRO A N 1 ATOM 1764 C CA . PRO A 1 236 ? 38.465 -21.232 -4.085 1.00 35.71 ? 336 PRO A CA 1 ATOM 1765 C C . PRO A 1 236 ? 39.608 -22.152 -4.446 1.00 35.26 ? 336 PRO A C 1 ATOM 1766 O O . PRO A 1 236 ? 39.920 -22.309 -5.621 1.00 35.27 ? 336 PRO A O 1 ATOM 1767 C CB . PRO A 1 236 ? 38.971 -20.128 -3.165 1.00 36.20 ? 336 PRO A CB 1 ATOM 1768 C CG . PRO A 1 236 ? 37.787 -19.826 -2.272 1.00 36.12 ? 336 PRO A CG 1 ATOM 1769 C CD . PRO A 1 236 ? 37.152 -21.159 -2.028 1.00 36.23 ? 336 PRO A CD 1 ATOM 1770 N N . LEU A 1 237 ? 40.209 -22.789 -3.443 1.00 35.26 ? 337 LEU A N 1 ATOM 1771 C CA . LEU A 1 237 ? 41.253 -23.789 -3.682 1.00 34.53 ? 337 LEU A CA 1 ATOM 1772 C C . LEU A 1 237 ? 40.833 -24.788 -4.753 1.00 34.37 ? 337 LEU A C 1 ATOM 1773 O O . LEU A 1 237 ? 41.555 -24.998 -5.727 1.00 34.02 ? 337 LEU A O 1 ATOM 1774 C CB . LEU A 1 237 ? 41.592 -24.561 -2.407 1.00 34.61 ? 337 LEU A CB 1 ATOM 1775 C CG . LEU A 1 237 ? 42.600 -25.686 -2.707 1.00 34.07 ? 337 LEU A CG 1 ATOM 1776 C CD1 . LEU A 1 237 ? 44.017 -25.167 -2.579 1.00 34.18 ? 337 LEU A CD1 1 ATOM 1777 C CD2 . LEU A 1 237 ? 42.377 -26.901 -1.837 1.00 32.60 ? 337 LEU A CD2 1 ATOM 1778 N N . ALA A 1 238 ? 39.668 -25.404 -4.576 1.00 33.95 ? 338 ALA A N 1 ATOM 1779 C CA . ALA A 1 238 ? 39.277 -26.478 -5.480 1.00 34.02 ? 338 ALA A CA 1 ATOM 1780 C C . ALA A 1 238 ? 39.042 -26.001 -6.902 1.00 34.07 ? 338 ALA A C 1 ATOM 1781 O O . ALA A 1 238 ? 39.290 -26.751 -7.844 1.00 34.62 ? 338 ALA A O 1 ATOM 1782 C CB . ALA A 1 238 ? 38.078 -27.232 -4.954 1.00 34.42 ? 338 ALA A CB 1 ATOM 1783 N N . LEU A 1 239 ? 38.571 -24.762 -7.051 1.00 33.85 ? 339 LEU A N 1 ATOM 1784 C CA . LEU A 1 239 ? 38.494 -24.103 -8.348 1.00 33.53 ? 339 LEU A CA 1 ATOM 1785 C C . LEU A 1 239 ? 39.892 -23.955 -8.917 1.00 33.66 ? 339 LEU A C 1 ATOM 1786 O O . LEU A 1 239 ? 40.162 -24.414 -10.013 1.00 34.18 ? 339 LEU A O 1 ATOM 1787 C CB . LEU A 1 239 ? 37.887 -22.715 -8.200 1.00 33.69 ? 339 LEU A CB 1 ATOM 1788 C CG . LEU A 1 239 ? 37.066 -22.030 -9.306 1.00 33.84 ? 339 LEU A CG 1 ATOM 1789 C CD1 . LEU A 1 239 ? 37.260 -20.522 -9.208 1.00 31.31 ? 339 LEU A CD1 1 ATOM 1790 C CD2 . LEU A 1 239 ? 37.380 -22.543 -10.716 1.00 33.49 ? 339 LEU A CD2 1 ATOM 1791 N N . ALA A 1 240 ? 40.792 -23.329 -8.161 1.00 33.60 ? 340 ALA A N 1 ATOM 1792 C CA . ALA A 1 240 ? 42.173 -23.159 -8.597 1.00 33.36 ? 340 ALA A CA 1 ATOM 1793 C C . ALA A 1 240 ? 42.700 -24.417 -9.272 1.00 33.23 ? 340 ALA A C 1 ATOM 1794 O O . ALA A 1 240 ? 43.275 -24.356 -10.357 1.00 33.09 ? 340 ALA A O 1 ATOM 1795 C CB . ALA A 1 240 ? 43.065 -22.764 -7.416 1.00 33.41 ? 340 ALA A CB 1 ATOM 1796 N N . ALA A 1 241 ? 42.465 -25.554 -8.614 1.00 33.42 ? 341 ALA A N 1 ATOM 1797 C CA . ALA A 1 241 ? 42.977 -26.860 -9.023 1.00 33.00 ? 341 ALA A CA 1 ATOM 1798 C C . ALA A 1 241 ? 42.190 -27.447 -10.180 1.00 33.03 ? 341 ALA A C 1 ATOM 1799 O O . ALA A 1 241 ? 42.759 -28.140 -11.037 1.00 33.45 ? 341 ALA A O 1 ATOM 1800 C CB . ALA A 1 241 ? 42.976 -27.807 -7.852 1.00 32.81 ? 341 ALA A CB 1 ATOM 1801 N N . SER A 1 242 ? 40.886 -27.178 -10.209 1.00 32.96 ? 342 SER A N 1 ATOM 1802 C CA . SER A 1 242 ? 40.066 -27.566 -11.362 1.00 32.56 ? 342 SER A CA 1 ATOM 1803 C C . SER A 1 242 ? 40.511 -26.829 -12.625 1.00 32.96 ? 342 SER A C 1 ATOM 1804 O O . SER A 1 242 ? 40.452 -27.410 -13.711 1.00 33.30 ? 342 SER A O 1 ATOM 1805 C CB . SER A 1 242 ? 38.543 -27.434 -11.115 1.00 32.35 ? 342 SER A CB 1 ATOM 1806 O OG . SER A 1 242 ? 38.114 -26.103 -10.910 1.00 30.21 ? 342 SER A OG 1 ATOM 1807 N N . SER A 1 243 ? 41.003 -25.588 -12.497 1.00 32.75 ? 343 SER A N 1 ATOM 1808 C CA . SER A 1 243 ? 41.378 -24.813 -13.696 1.00 32.98 ? 343 SER A CA 1 ATOM 1809 C C . SER A 1 243 ? 42.892 -24.604 -13.923 1.00 33.17 ? 343 SER A C 1 ATOM 1810 O O . SER A 1 243 ? 43.295 -23.688 -14.658 1.00 32.85 ? 343 SER A O 1 ATOM 1811 C CB . SER A 1 243 ? 40.597 -23.499 -13.778 1.00 32.58 ? 343 SER A CB 1 ATOM 1812 O OG . SER A 1 243 ? 40.783 -22.752 -12.600 1.00 32.92 ? 343 SER A OG 1 ATOM 1813 N N . GLY A 1 244 ? 43.716 -25.458 -13.314 1.00 33.56 ? 344 GLY A N 1 ATOM 1814 C CA . GLY A 1 244 ? 45.178 -25.416 -13.500 1.00 34.45 ? 344 GLY A CA 1 ATOM 1815 C C . GLY A 1 244 ? 45.842 -24.070 -13.218 1.00 35.18 ? 344 GLY A C 1 ATOM 1816 O O . GLY A 1 244 ? 46.729 -23.635 -13.976 1.00 35.31 ? 344 GLY A O 1 ATOM 1817 N N . LYS A 1 245 ? 45.358 -23.409 -12.169 1.00 35.75 ? 345 LYS A N 1 ATOM 1818 C CA . LYS A 1 245 ? 45.917 -22.154 -11.688 1.00 36.22 ? 345 LYS A CA 1 ATOM 1819 C C . LYS A 1 245 ? 46.913 -22.441 -10.576 1.00 36.63 ? 345 LYS A C 1 ATOM 1820 O O . LYS A 1 245 ? 46.637 -22.226 -9.395 1.00 36.92 ? 345 LYS A O 1 ATOM 1821 C CB . LYS A 1 245 ? 44.808 -21.234 -11.176 1.00 36.19 ? 345 LYS A CB 1 ATOM 1822 C CG . LYS A 1 245 ? 43.681 -21.007 -12.171 1.00 36.14 ? 345 LYS A CG 1 ATOM 1823 C CD . LYS A 1 245 ? 44.048 -19.936 -13.186 1.00 36.58 ? 345 LYS A CD 1 ATOM 1824 C CE . LYS A 1 245 ? 43.213 -20.063 -14.449 1.00 37.13 ? 345 LYS A CE 1 ATOM 1825 N NZ . LYS A 1 245 ? 41.947 -19.285 -14.359 1.00 37.20 ? 345 LYS A NZ 1 ATOM 1826 N N . ILE A 1 246 ? 48.077 -22.931 -10.978 1.00 36.53 ? 346 ILE A N 1 ATOM 1827 C CA . ILE A 1 246 ? 48.959 -23.704 -10.120 1.00 36.02 ? 346 ILE A CA 1 ATOM 1828 C C . ILE A 1 246 ? 49.678 -22.835 -9.091 1.00 36.09 ? 346 ILE A C 1 ATOM 1829 O O . ILE A 1 246 ? 49.752 -23.198 -7.895 1.00 36.19 ? 346 ILE A O 1 ATOM 1830 C CB . ILE A 1 246 ? 49.938 -24.573 -10.949 1.00 35.75 ? 346 ILE A CB 1 ATOM 1831 C CG1 . ILE A 1 246 ? 49.284 -25.904 -11.315 1.00 35.02 ? 346 ILE A CG1 1 ATOM 1832 C CG2 . ILE A 1 246 ? 51.199 -24.869 -10.179 1.00 35.66 ? 346 ILE A CG2 1 ATOM 1833 C CD1 . ILE A 1 246 ? 49.014 -26.080 -12.775 1.00 35.16 ? 346 ILE A CD1 1 ATOM 1834 N N . GLY A 1 247 ? 50.181 -21.687 -9.546 1.00 35.51 ? 347 GLY A N 1 ATOM 1835 C CA . GLY A 1 247 ? 50.947 -20.799 -8.670 1.00 35.19 ? 347 GLY A CA 1 ATOM 1836 C C . GLY A 1 247 ? 50.121 -20.431 -7.452 1.00 34.92 ? 347 GLY A C 1 ATOM 1837 O O . GLY A 1 247 ? 50.642 -20.350 -6.324 1.00 34.78 ? 347 GLY A O 1 ATOM 1838 N N . VAL A 1 248 ? 48.826 -20.232 -7.700 1.00 34.20 ? 348 VAL A N 1 ATOM 1839 C CA . VAL A 1 248 ? 47.885 -19.782 -6.691 1.00 33.89 ? 348 VAL A CA 1 ATOM 1840 C C . VAL A 1 248 ? 47.489 -20.940 -5.803 1.00 34.13 ? 348 VAL A C 1 ATOM 1841 O O . VAL A 1 248 ? 47.472 -20.823 -4.573 1.00 34.36 ? 348 VAL A O 1 ATOM 1842 C CB . VAL A 1 248 ? 46.636 -19.186 -7.331 1.00 33.36 ? 348 VAL A CB 1 ATOM 1843 C CG1 . VAL A 1 248 ? 45.742 -18.634 -6.287 1.00 33.30 ? 348 VAL A CG1 1 ATOM 1844 C CG2 . VAL A 1 248 ? 47.028 -18.098 -8.278 1.00 34.16 ? 348 VAL A CG2 1 ATOM 1845 N N . LEU A 1 249 ? 47.168 -22.070 -6.424 1.00 34.10 ? 349 LEU A N 1 ATOM 1846 C CA . LEU A 1 249 ? 47.006 -23.323 -5.696 1.00 33.94 ? 349 LEU A CA 1 ATOM 1847 C C . LEU A 1 249 ? 48.129 -23.521 -4.682 1.00 33.11 ? 349 LEU A C 1 ATOM 1848 O O . LEU A 1 249 ? 47.878 -23.686 -3.488 1.00 32.65 ? 349 LEU A O 1 ATOM 1849 C CB . LEU A 1 249 ? 46.961 -24.505 -6.666 1.00 34.24 ? 349 LEU A CB 1 ATOM 1850 C CG . LEU A 1 249 ? 46.547 -25.853 -6.073 1.00 34.70 ? 349 LEU A CG 1 ATOM 1851 C CD1 . LEU A 1 249 ? 46.335 -26.883 -7.173 1.00 35.42 ? 349 LEU A CD1 1 ATOM 1852 C CD2 . LEU A 1 249 ? 47.582 -26.340 -5.070 1.00 37.49 ? 349 LEU A CD2 1 ATOM 1853 N N . ALA A 1 250 ? 49.366 -23.502 -5.166 1.00 32.35 ? 350 ALA A N 1 ATOM 1854 C CA . ALA A 1 250 ? 50.547 -23.572 -4.285 1.00 31.91 ? 350 ALA A CA 1 ATOM 1855 C C . ALA A 1 250 ? 50.559 -22.491 -3.199 1.00 31.54 ? 350 ALA A C 1 ATOM 1856 O O . ALA A 1 250 ? 50.960 -22.742 -2.055 1.00 31.60 ? 350 ALA A O 1 ATOM 1857 C CB . ALA A 1 250 ? 51.844 -23.499 -5.112 1.00 31.68 ? 350 ALA A CB 1 ATOM 1858 N N . TYR A 1 251 ? 50.126 -21.286 -3.557 1.00 30.99 ? 351 TYR A N 1 ATOM 1859 C CA . TYR A 1 251 ? 50.070 -20.198 -2.587 1.00 30.59 ? 351 TYR A CA 1 ATOM 1860 C C . TYR A 1 251 ? 49.077 -20.500 -1.466 1.00 31.05 ? 351 TYR A C 1 ATOM 1861 O O . TYR A 1 251 ? 49.407 -20.353 -0.267 1.00 31.61 ? 351 TYR A O 1 ATOM 1862 C CB . TYR A 1 251 ? 49.677 -18.875 -3.236 1.00 29.56 ? 351 TYR A CB 1 ATOM 1863 C CG . TYR A 1 251 ? 49.560 -17.796 -2.202 1.00 28.61 ? 351 TYR A CG 1 ATOM 1864 C CD1 . TYR A 1 251 ? 50.710 -17.153 -1.736 1.00 29.08 ? 351 TYR A CD1 1 ATOM 1865 C CD2 . TYR A 1 251 ? 48.309 -17.451 -1.629 1.00 26.21 ? 351 TYR A CD2 1 ATOM 1866 C CE1 . TYR A 1 251 ? 50.633 -16.168 -0.758 1.00 28.61 ? 351 TYR A CE1 1 ATOM 1867 C CE2 . TYR A 1 251 ? 48.215 -16.479 -0.647 1.00 23.37 ? 351 TYR A CE2 1 ATOM 1868 C CZ . TYR A 1 251 ? 49.380 -15.831 -0.230 1.00 27.49 ? 351 TYR A CZ 1 ATOM 1869 O OH . TYR A 1 251 ? 49.367 -14.852 0.729 1.00 29.18 ? 351 TYR A OH 1 ATOM 1870 N N . ILE A 1 252 ? 47.871 -20.913 -1.860 1.00 30.80 ? 352 ILE A N 1 ATOM 1871 C CA . ILE A 1 252 ? 46.770 -21.103 -0.922 1.00 30.99 ? 352 ILE A CA 1 ATOM 1872 C C . ILE A 1 252 ? 47.081 -22.213 0.044 1.00 31.33 ? 352 ILE A C 1 ATOM 1873 O O . ILE A 1 252 ? 46.681 -22.136 1.207 1.00 32.20 ? 352 ILE A O 1 ATOM 1874 C CB . ILE A 1 252 ? 45.430 -21.419 -1.624 1.00 31.03 ? 352 ILE A CB 1 ATOM 1875 C CG1 . ILE A 1 252 ? 44.918 -20.192 -2.386 1.00 29.77 ? 352 ILE A CG1 1 ATOM 1876 C CG2 . ILE A 1 252 ? 44.391 -21.908 -0.629 1.00 30.83 ? 352 ILE A CG2 1 ATOM 1877 C CD1 . ILE A 1 252 ? 43.853 -20.546 -3.352 1.00 28.73 ? 352 ILE A CD1 1 ATOM 1878 N N . LEU A 1 253 ? 47.790 -23.239 -0.415 1.00 30.90 ? 353 LEU A N 1 ATOM 1879 C CA . LEU A 1 253 ? 48.040 -24.365 0.464 1.00 30.99 ? 353 LEU A CA 1 ATOM 1880 C C . LEU A 1 253 ? 49.200 -24.059 1.379 1.00 31.13 ? 353 LEU A C 1 ATOM 1881 O O . LEU A 1 253 ? 49.264 -24.566 2.494 1.00 31.12 ? 353 LEU A O 1 ATOM 1882 C CB . LEU A 1 253 ? 48.288 -25.658 -0.315 1.00 30.86 ? 353 LEU A CB 1 ATOM 1883 C CG . LEU A 1 253 ? 47.106 -26.405 -0.931 1.00 29.88 ? 353 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 253 ? 47.599 -27.234 -2.104 1.00 29.83 ? 353 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 253 ? 46.396 -27.298 0.076 1.00 30.44 ? 353 LEU A CD2 1 ATOM 1886 N N . GLN A 1 254 ? 50.115 -23.228 0.901 1.00 31.81 ? 354 GLN A N 1 ATOM 1887 C CA . GLN A 1 254 ? 51.287 -22.864 1.683 1.00 32.41 ? 354 GLN A CA 1 ATOM 1888 C C . GLN A 1 254 ? 50.860 -21.982 2.859 1.00 33.15 ? 354 GLN A C 1 ATOM 1889 O O . GLN A 1 254 ? 51.359 -22.147 3.962 1.00 33.51 ? 354 GLN A O 1 ATOM 1890 C CB . GLN A 1 254 ? 52.333 -22.188 0.795 1.00 32.04 ? 354 GLN A CB 1 ATOM 1891 C CG . GLN A 1 254 ? 53.535 -21.666 1.517 1.00 30.84 ? 354 GLN A CG 1 ATOM 1892 C CD . GLN A 1 254 ? 54.346 -22.772 2.110 1.00 31.08 ? 354 GLN A CD 1 ATOM 1893 O OE1 . GLN A 1 254 ? 54.386 -23.854 1.569 1.00 32.26 ? 354 GLN A OE1 1 ATOM 1894 N NE2 . GLN A 1 254 ? 55.005 -22.506 3.224 1.00 31.66 ? 354 GLN A NE2 1 ATOM 1895 N N . ARG A 1 255 ? 49.911 -21.078 2.629 1.00 34.49 ? 355 ARG A N 1 ATOM 1896 C CA . ARG A 1 255 ? 49.323 -20.272 3.710 1.00 35.92 ? 355 ARG A CA 1 ATOM 1897 C C . ARG A 1 255 ? 48.603 -21.066 4.783 1.00 36.56 ? 355 ARG A C 1 ATOM 1898 O O . ARG A 1 255 ? 48.765 -20.781 5.963 1.00 37.15 ? 355 ARG A O 1 ATOM 1899 C CB . ARG A 1 255 ? 48.364 -19.228 3.164 1.00 36.12 ? 355 ARG A CB 1 ATOM 1900 C CG . ARG A 1 255 ? 48.899 -17.821 3.236 1.00 37.70 ? 355 ARG A CG 1 ATOM 1901 C CD . ARG A 1 255 ? 47.782 -16.844 2.875 1.00 41.27 ? 355 ARG A CD 1 ATOM 1902 N NE . ARG A 1 255 ? 46.730 -16.858 3.889 1.00 44.15 ? 355 ARG A NE 1 ATOM 1903 C CZ . ARG A 1 255 ? 46.299 -15.790 4.564 1.00 43.72 ? 355 ARG A CZ 1 ATOM 1904 N NH1 . ARG A 1 255 ? 46.794 -14.578 4.322 1.00 44.30 ? 355 ARG A NH1 1 ATOM 1905 N NH2 . ARG A 1 255 ? 45.347 -15.938 5.471 1.00 41.81 ? 355 ARG A NH2 1 ATOM 1906 N N . GLU A 1 256 ? 47.797 -22.047 4.381 1.00 37.57 ? 356 GLU A N 1 ATOM 1907 C CA . GLU A 1 256 ? 47.145 -22.959 5.328 1.00 38.62 ? 356 GLU A CA 1 ATOM 1908 C C . GLU A 1 256 ? 48.172 -23.682 6.183 1.00 38.90 ? 356 GLU A C 1 ATOM 1909 O O . GLU A 1 256 ? 47.879 -24.045 7.320 1.00 39.25 ? 356 GLU A O 1 ATOM 1910 C CB . GLU A 1 256 ? 46.307 -24.008 4.601 1.00 38.76 ? 356 GLU A CB 1 ATOM 1911 C CG . GLU A 1 256 ? 44.991 -23.528 3.977 1.00 39.73 ? 356 GLU A CG 1 ATOM 1912 C CD . GLU A 1 256 ? 44.271 -24.657 3.235 1.00 39.63 ? 356 GLU A CD 1 ATOM 1913 O OE1 . GLU A 1 256 ? 44.650 -25.838 3.412 1.00 40.04 ? 356 GLU A OE1 1 ATOM 1914 O OE2 . GLU A 1 256 ? 43.317 -24.371 2.487 1.00 41.27 ? 356 GLU A OE2 1 ATOM 1915 N N . ILE A 1 257 ? 49.368 -23.891 5.631 1.00 39.54 ? 357 ILE A N 1 ATOM 1916 C CA . ILE A 1 257 ? 50.449 -24.564 6.345 1.00 40.18 ? 357 ILE A CA 1 ATOM 1917 C C . ILE A 1 257 ? 51.075 -23.726 7.479 1.00 41.62 ? 357 ILE A C 1 ATOM 1918 O O . ILE A 1 257 ? 51.835 -24.262 8.298 1.00 41.72 ? 357 ILE A O 1 ATOM 1919 C CB . ILE A 1 257 ? 51.456 -25.165 5.369 1.00 39.70 ? 357 ILE A CB 1 ATOM 1920 C CG1 . ILE A 1 257 ? 50.802 -26.383 4.726 1.00 39.13 ? 357 ILE A CG1 1 ATOM 1921 C CG2 . ILE A 1 257 ? 52.753 -25.569 6.067 1.00 39.63 ? 357 ILE A CG2 1 ATOM 1922 C CD1 . ILE A 1 257 ? 51.550 -26.970 3.580 1.00 39.33 ? 357 ILE A CD1 1 ATOM 1923 N N . HIS A 1 258 ? 50.722 -22.434 7.553 1.00 42.92 ? 358 HIS A N 1 ATOM 1924 C CA . HIS A 1 258 ? 50.973 -21.617 8.772 1.00 44.17 ? 358 HIS A CA 1 ATOM 1925 C C . HIS A 1 258 ? 49.709 -20.935 9.397 1.00 44.14 ? 358 HIS A C 1 ATOM 1926 O O . HIS A 1 258 ? 49.169 -21.380 10.426 1.00 44.17 ? 358 HIS A O 1 ATOM 1927 C CB . HIS A 1 258 ? 52.081 -20.581 8.537 1.00 44.70 ? 358 HIS A CB 1 ATOM 1928 C CG . HIS A 1 258 ? 53.099 -20.988 7.516 1.00 46.29 ? 358 HIS A CG 1 ATOM 1929 N ND1 . HIS A 1 258 ? 53.099 -20.486 6.231 1.00 47.14 ? 358 HIS A ND1 1 ATOM 1930 C CD2 . HIS A 1 258 ? 54.162 -21.827 7.598 1.00 48.12 ? 358 HIS A CD2 1 ATOM 1931 C CE1 . HIS A 1 258 ? 54.118 -21.002 5.564 1.00 49.24 ? 358 HIS A CE1 1 ATOM 1932 N NE2 . HIS A 1 258 ? 54.775 -21.825 6.368 1.00 49.48 ? 358 HIS A NE2 1 HETATM 1933 P PG . ATP B 2 . ? 24.817 9.602 -26.660 1.00 58.18 ? 374 ATP A PG 1 HETATM 1934 O O1G . ATP B 2 . ? 24.551 11.057 -26.319 1.00 59.31 ? 374 ATP A O1G 1 HETATM 1935 O O2G . ATP B 2 . ? 24.188 9.147 -27.966 1.00 56.27 ? 374 ATP A O2G 1 HETATM 1936 O O3G . ATP B 2 . ? 24.617 8.663 -25.493 1.00 58.05 ? 374 ATP A O3G 1 HETATM 1937 P PB . ATP B 2 . ? 27.335 8.339 -27.270 1.00 55.52 ? 374 ATP A PB 1 HETATM 1938 O O1B . ATP B 2 . ? 26.500 7.272 -27.959 1.00 52.25 ? 374 ATP A O1B 1 HETATM 1939 O O2B . ATP B 2 . ? 28.601 8.903 -27.897 1.00 53.99 ? 374 ATP A O2B 1 HETATM 1940 O O3B . ATP B 2 . ? 26.424 9.630 -26.918 1.00 57.16 ? 374 ATP A O3B 1 HETATM 1941 P PA . ATP B 2 . ? 28.727 8.267 -24.673 1.00 51.37 ? 374 ATP A PA 1 HETATM 1942 O O1A . ATP B 2 . ? 28.066 8.132 -23.333 1.00 53.86 ? 374 ATP A O1A 1 HETATM 1943 O O2A . ATP B 2 . ? 29.483 9.532 -24.984 1.00 50.87 ? 374 ATP A O2A 1 HETATM 1944 O O3A . ATP B 2 . ? 27.598 7.812 -25.750 1.00 54.36 ? 374 ATP A O3A 1 HETATM 1945 O "O5'" . ATP B 2 . ? 29.691 7.002 -24.830 1.00 52.13 ? 374 ATP A "O5'" 1 HETATM 1946 C "C5'" . ATP B 2 . ? 29.050 5.728 -24.921 1.00 52.02 ? 374 ATP A "C5'" 1 HETATM 1947 C "C4'" . ATP B 2 . ? 30.119 4.728 -25.324 1.00 52.34 ? 374 ATP A "C4'" 1 HETATM 1948 O "O4'" . ATP B 2 . ? 31.098 4.572 -24.282 1.00 51.78 ? 374 ATP A "O4'" 1 HETATM 1949 C "C3'" . ATP B 2 . ? 29.574 3.342 -25.632 1.00 51.02 ? 374 ATP A "C3'" 1 HETATM 1950 O "O3'" . ATP B 2 . ? 29.112 3.207 -26.983 1.00 50.62 ? 374 ATP A "O3'" 1 HETATM 1951 C "C2'" . ATP B 2 . ? 30.790 2.485 -25.371 1.00 51.65 ? 374 ATP A "C2'" 1 HETATM 1952 O "O2'" . ATP B 2 . ? 31.632 2.398 -26.523 1.00 50.48 ? 374 ATP A "O2'" 1 HETATM 1953 C "C1'" . ATP B 2 . ? 31.545 3.217 -24.273 1.00 53.04 ? 374 ATP A "C1'" 1 HETATM 1954 N N9 . ATP B 2 . ? 31.252 2.548 -22.973 1.00 54.21 ? 374 ATP A N9 1 HETATM 1955 C C8 . ATP B 2 . ? 30.043 2.262 -22.403 1.00 54.33 ? 374 ATP A C8 1 HETATM 1956 N N7 . ATP B 2 . ? 30.181 1.623 -21.206 1.00 53.44 ? 374 ATP A N7 1 HETATM 1957 C C5 . ATP B 2 . ? 31.502 1.507 -21.009 1.00 52.81 ? 374 ATP A C5 1 HETATM 1958 C C6 . ATP B 2 . ? 32.357 0.942 -19.950 1.00 54.02 ? 374 ATP A C6 1 HETATM 1959 N N6 . ATP B 2 . ? 31.792 0.368 -18.862 1.00 53.89 ? 374 ATP A N6 1 HETATM 1960 N N1 . ATP B 2 . ? 33.710 1.008 -20.121 0.60 54.31 ? 374 ATP A N1 1 HETATM 1961 C C2 . ATP B 2 . ? 34.264 1.572 -21.229 0.70 54.29 ? 374 ATP A C2 1 HETATM 1962 N N3 . ATP B 2 . ? 33.547 2.120 -22.235 1.00 52.66 ? 374 ATP A N3 1 HETATM 1963 C C4 . ATP B 2 . ? 32.199 2.103 -22.167 1.00 52.80 ? 374 ATP A C4 1 HETATM 1964 O O . HOH C 3 . ? 20.863 17.071 1.860 1.00 51.78 ? 1 HOH A O 1 HETATM 1965 O O . HOH C 3 . ? 19.358 15.044 2.609 1.00 46.37 ? 2 HOH A O 1 HETATM 1966 O O . HOH C 3 . ? 24.356 -10.152 -28.759 1.00 41.07 ? 3 HOH A O 1 HETATM 1967 O O . HOH C 3 . ? 16.867 -11.932 -28.532 1.00 45.41 ? 4 HOH A O 1 HETATM 1968 O O . HOH C 3 . ? 38.600 -9.678 -27.353 1.00 41.26 ? 5 HOH A O 1 HETATM 1969 O O . HOH C 3 . ? 36.899 1.927 -23.049 1.00 49.93 ? 6 HOH A O 1 HETATM 1970 O O . HOH C 3 . ? 46.283 -5.299 -12.839 1.00 37.89 ? 7 HOH A O 1 HETATM 1971 O O . HOH C 3 . ? 26.066 -8.769 5.189 1.00 32.24 ? 8 HOH A O 1 HETATM 1972 O O . HOH C 3 . ? 25.689 -12.840 -1.914 1.00 30.22 ? 9 HOH A O 1 HETATM 1973 O O . HOH C 3 . ? 36.382 26.136 -11.337 1.00 45.37 ? 10 HOH A O 1 HETATM 1974 O O . HOH C 3 . ? 20.416 28.226 -18.112 1.00 51.49 ? 11 HOH A O 1 HETATM 1975 O O . HOH C 3 . ? 27.671 12.748 1.726 1.00 45.09 ? 12 HOH A O 1 HETATM 1976 O O . HOH C 3 . ? 24.449 34.532 -12.709 1.00 50.91 ? 13 HOH A O 1 HETATM 1977 O O . HOH C 3 . ? 24.471 4.307 -11.719 1.00 41.30 ? 14 HOH A O 1 HETATM 1978 O O . HOH C 3 . ? 38.525 14.681 -3.353 1.00 42.35 ? 15 HOH A O 1 HETATM 1979 O O . HOH C 3 . ? 6.909 13.630 -15.035 1.00 53.44 ? 16 HOH A O 1 HETATM 1980 O O . HOH C 3 . ? 19.335 -3.085 -26.114 1.00 49.18 ? 17 HOH A O 1 HETATM 1981 O O . HOH C 3 . ? 8.906 25.360 -9.872 1.00 53.42 ? 18 HOH A O 1 HETATM 1982 O O . HOH C 3 . ? 40.528 13.194 -21.779 1.00 40.45 ? 19 HOH A O 1 HETATM 1983 O O . HOH C 3 . ? 37.706 14.286 -22.684 1.00 53.08 ? 20 HOH A O 1 HETATM 1984 O O . HOH C 3 . ? 18.053 2.701 -9.801 1.00 55.83 ? 21 HOH A O 1 HETATM 1985 O O . HOH C 3 . ? 26.383 3.237 -8.674 1.00 42.91 ? 22 HOH A O 1 HETATM 1986 O O . HOH C 3 . ? 43.450 5.663 -3.437 1.00 50.77 ? 23 HOH A O 1 HETATM 1987 O O . HOH C 3 . ? 29.825 15.070 -2.097 1.00 47.48 ? 24 HOH A O 1 HETATM 1988 O O . HOH C 3 . ? 46.545 -3.363 -5.352 1.00 41.70 ? 25 HOH A O 1 HETATM 1989 O O . HOH C 3 . ? 32.348 -26.246 2.040 1.00 44.22 ? 26 HOH A O 1 HETATM 1990 O O . HOH C 3 . ? 32.424 -18.103 -14.725 1.00 37.24 ? 27 HOH A O 1 HETATM 1991 O O . HOH C 3 . ? 40.586 12.979 -10.354 1.00 40.04 ? 28 HOH A O 1 HETATM 1992 O O . HOH C 3 . ? 19.958 -23.028 -6.272 1.00 51.06 ? 29 HOH A O 1 HETATM 1993 O O . HOH C 3 . ? 42.284 -17.872 6.944 0.33 2.00 ? 31 HOH A O 1 HETATM 1994 O O . HOH C 3 . ? 17.645 32.165 -19.054 1.00 54.94 ? 32 HOH A O 1 HETATM 1995 O O . HOH C 3 . ? 6.580 11.222 0.637 1.00 44.93 ? 33 HOH A O 1 HETATM 1996 O O . HOH C 3 . ? 23.382 23.883 -3.836 1.00 53.20 ? 34 HOH A O 1 HETATM 1997 O O . HOH C 3 . ? 36.540 14.776 -9.355 1.00 42.56 ? 35 HOH A O 1 HETATM 1998 O O . HOH C 3 . ? 36.878 -1.799 -17.712 1.00 44.80 ? 36 HOH A O 1 HETATM 1999 O O . HOH C 3 . ? 47.354 -2.991 -12.795 1.00 49.46 ? 37 HOH A O 1 HETATM 2000 O O . HOH C 3 . ? 34.869 -24.892 -18.240 1.00 53.00 ? 38 HOH A O 1 HETATM 2001 O O . HOH C 3 . ? 37.200 -24.875 -12.946 1.00 36.19 ? 39 HOH A O 1 HETATM 2002 O O . HOH C 3 . ? 47.681 -6.910 -5.067 1.00 37.11 ? 40 HOH A O 1 HETATM 2003 O O . HOH C 3 . ? 50.731 -9.824 5.110 1.00 42.32 ? 41 HOH A O 1 HETATM 2004 O O . HOH C 3 . ? 51.365 -17.772 7.976 1.00 52.89 ? 42 HOH A O 1 HETATM 2005 O O . HOH C 3 . ? 31.984 -7.726 5.083 1.00 50.12 ? 43 HOH A O 1 HETATM 2006 O O . HOH C 3 . ? 22.171 -33.141 -9.394 1.00 48.81 ? 44 HOH A O 1 HETATM 2007 O O . HOH C 3 . ? 6.139 14.860 -21.491 1.00 44.31 ? 45 HOH A O 1 HETATM 2008 O O . HOH C 3 . ? 22.818 7.710 -29.736 1.00 28.88 ? 46 HOH A O 1 HETATM 2009 O O . HOH C 3 . ? 22.733 -10.051 -20.688 1.00 47.63 ? 47 HOH A O 1 HETATM 2010 O O . HOH C 3 . ? 41.929 -5.553 -20.244 1.00 43.13 ? 48 HOH A O 1 HETATM 2011 O O . HOH C 3 . ? 2.954 21.183 -6.937 1.00 43.15 ? 49 HOH A O 1 HETATM 2012 O O . HOH C 3 . ? 0.777 25.992 -11.964 1.00 42.85 ? 50 HOH A O 1 HETATM 2013 O O . HOH C 3 . ? 12.503 17.529 1.847 1.00 46.66 ? 51 HOH A O 1 HETATM 2014 O O . HOH C 3 . ? 18.503 31.902 -15.807 1.00 47.37 ? 52 HOH A O 1 HETATM 2015 O O . HOH C 3 . ? 10.050 34.724 -21.443 1.00 43.84 ? 53 HOH A O 1 HETATM 2016 O O . HOH C 3 . ? 26.040 -6.332 3.348 1.00 40.56 ? 54 HOH A O 1 HETATM 2017 O O . HOH C 3 . ? 18.473 -0.202 -10.327 1.00 35.86 ? 55 HOH A O 1 HETATM 2018 O O . HOH C 3 . ? 32.508 -21.699 -21.131 1.00 40.30 ? 56 HOH A O 1 HETATM 2019 O O . HOH C 3 . ? 19.930 15.605 -31.777 1.00 39.20 ? 57 HOH A O 1 HETATM 2020 O O . HOH C 3 . ? 12.184 -4.517 1.431 1.00 43.61 ? 58 HOH A O 1 HETATM 2021 O O . HOH C 3 . ? 9.438 27.593 -23.138 1.00 66.57 ? 59 HOH A O 1 HETATM 2022 O O . HOH C 3 . ? 16.330 -9.622 -29.852 1.00 42.89 ? 60 HOH A O 1 HETATM 2023 O O . HOH C 3 . ? 52.303 -18.112 3.367 1.00 42.81 ? 61 HOH A O 1 HETATM 2024 O O . HOH C 3 . ? 27.860 -23.679 -17.215 1.00 40.91 ? 62 HOH A O 1 HETATM 2025 O O . HOH C 3 . ? 52.961 -8.030 -20.305 1.00 38.60 ? 63 HOH A O 1 HETATM 2026 O O . HOH C 3 . ? 54.959 -14.777 -23.850 1.00 49.94 ? 64 HOH A O 1 HETATM 2027 O O . HOH C 3 . ? 51.257 -14.577 -23.685 1.00 45.81 ? 65 HOH A O 1 HETATM 2028 O O . HOH C 3 . ? 14.229 24.801 5.671 1.00 54.53 ? 66 HOH A O 1 HETATM 2029 O O . HOH C 3 . ? 18.072 24.746 4.378 1.00 51.09 ? 67 HOH A O 1 HETATM 2030 O O . HOH C 3 . ? 32.652 -15.675 -17.293 1.00 38.38 ? 68 HOH A O 1 HETATM 2031 O O . HOH C 3 . ? 30.888 -4.790 6.713 1.00 50.71 ? 69 HOH A O 1 HETATM 2032 O O . HOH C 3 . ? 39.620 -20.418 -12.580 1.00 41.60 ? 70 HOH A O 1 HETATM 2033 O O . HOH C 3 . ? 32.785 6.373 -23.157 1.00 65.40 ? 71 HOH A O 1 HETATM 2034 O O . HOH C 3 . ? 33.109 -22.551 -11.246 1.00 49.59 ? 72 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 SER 1 101 ? ? ? A . n A 1 2 VAL 2 102 ? ? ? A . n A 1 3 SER 3 103 ? ? ? A . n A 1 4 ALA 4 104 ? ? ? A . n A 1 5 GLY 5 105 ? ? ? A . n A 1 6 GLU 6 106 ? ? ? A . n A 1 7 LYS 7 107 ? ? ? A . n A 1 8 PRO 8 108 ? ? ? A . n A 1 9 PRO 9 109 ? ? ? A . n A 1 10 ARG 10 110 ? ? ? A . n A 1 11 LEU 11 111 111 LEU LEU A . n A 1 12 TYR 12 112 112 TYR TYR A . n A 1 13 ASP 13 113 113 ASP ASP A . n A 1 14 ARG 14 114 114 ARG ARG A . n A 1 15 ARG 15 115 115 ARG ARG A . n A 1 16 SER 16 116 116 SER SER A . n A 1 17 ILE 17 117 117 ILE ILE A . n A 1 18 PHE 18 118 118 PHE PHE A . n A 1 19 ASP 19 119 119 ASP ASP A . n A 1 20 ALA 20 120 120 ALA ALA A . n A 1 21 VAL 21 121 121 VAL VAL A . n A 1 22 ALA 22 122 122 ALA ALA A . n A 1 23 GLN 23 123 123 GLN GLN A . n A 1 24 SER 24 124 124 SER SER A . n A 1 25 ASN 25 125 125 ASN ASN A . n A 1 26 CYS 26 126 126 CYS CYS A . n A 1 27 GLN 27 127 127 GLN GLN A . n A 1 28 GLU 28 128 128 GLU GLU A . n A 1 29 LEU 29 129 129 LEU LEU A . n A 1 30 GLU 30 130 130 GLU GLU A . n A 1 31 SER 31 131 131 SER SER A . n A 1 32 LEU 32 132 132 LEU LEU A . n A 1 33 LEU 33 133 133 LEU LEU A . n A 1 34 PRO 34 134 134 PRO PRO A . n A 1 35 PHE 35 135 135 PHE PHE A . n A 1 36 LEU 36 136 136 LEU LEU A . n A 1 37 GLN 37 137 137 GLN GLN A . n A 1 38 ARG 38 138 138 ARG ARG A . n A 1 39 SER 39 139 139 SER SER A . n A 1 40 LYS 40 140 140 LYS LYS A . n A 1 41 LYS 41 141 141 LYS LYS A . n A 1 42 ARG 42 142 142 ARG ARG A . n A 1 43 LEU 43 143 143 LEU LEU A . n A 1 44 THR 44 144 144 THR THR A . n A 1 45 ASP 45 145 145 ASP ASP A . n A 1 46 SER 46 146 146 SER SER A . n A 1 47 GLU 47 147 147 GLU GLU A . n A 1 48 PHE 48 148 148 PHE PHE A . n A 1 49 LYS 49 149 149 LYS LYS A . n A 1 50 ASP 50 150 150 ASP ASP A . n A 1 51 PRO 51 151 151 PRO PRO A . n A 1 52 GLU 52 152 152 GLU GLU A . n A 1 53 THR 53 153 153 THR THR A . n A 1 54 GLY 54 154 154 GLY GLY A . n A 1 55 LYS 55 155 155 LYS LYS A . n A 1 56 THR 56 156 156 THR THR A . n A 1 57 CYS 57 157 157 CYS CYS A . n A 1 58 LEU 58 158 158 LEU LEU A . n A 1 59 LEU 59 159 159 LEU LEU A . n A 1 60 LYS 60 160 160 LYS LYS A . n A 1 61 ALA 61 161 161 ALA ALA A . n A 1 62 MSE 62 162 162 MSE MSE A . n A 1 63 LEU 63 163 163 LEU LEU A . n A 1 64 ASN 64 164 164 ASN ASN A . n A 1 65 LEU 65 165 165 LEU LEU A . n A 1 66 HIS 66 166 166 HIS HIS A . n A 1 67 ASN 67 167 167 ASN ASN A . n A 1 68 GLY 68 168 168 GLY GLY A . n A 1 69 GLN 69 169 169 GLN GLN A . n A 1 70 ASN 70 170 170 ASN ASN A . n A 1 71 ASP 71 171 171 ASP ASP A . n A 1 72 THR 72 172 172 THR THR A . n A 1 73 ILE 73 173 173 ILE ILE A . n A 1 74 ALA 74 174 174 ALA ALA A . n A 1 75 LEU 75 175 175 LEU LEU A . n A 1 76 LEU 76 176 176 LEU LEU A . n A 1 77 LEU 77 177 177 LEU LEU A . n A 1 78 ASP 78 178 178 ASP ASP A . n A 1 79 VAL 79 179 179 VAL VAL A . n A 1 80 ALA 80 180 180 ALA ALA A . n A 1 81 ARG 81 181 181 ARG ARG A . n A 1 82 LYS 82 182 182 LYS LYS A . n A 1 83 THR 83 183 183 THR THR A . n A 1 84 ASP 84 184 184 ASP ASP A . n A 1 85 SER 85 185 185 SER SER A . n A 1 86 LEU 86 186 186 LEU LEU A . n A 1 87 LYS 87 187 187 LYS LYS A . n A 1 88 GLN 88 188 188 GLN GLN A . n A 1 89 PHE 89 189 189 PHE PHE A . n A 1 90 VAL 90 190 190 VAL VAL A . n A 1 91 ASN 91 191 191 ASN ASN A . n A 1 92 ALA 92 192 192 ALA ALA A . n A 1 93 SER 93 193 193 SER SER A . n A 1 94 TYR 94 194 194 TYR TYR A . n A 1 95 THR 95 195 195 THR THR A . n A 1 96 ASP 96 196 196 ASP ASP A . n A 1 97 SER 97 197 197 SER SER A . n A 1 98 TYR 98 198 198 TYR TYR A . n A 1 99 TYR 99 199 199 TYR TYR A . n A 1 100 LYS 100 200 200 LYS LYS A . n A 1 101 GLY 101 201 201 GLY GLY A . n A 1 102 GLN 102 202 202 GLN GLN A . n A 1 103 THR 103 203 203 THR THR A . n A 1 104 ALA 104 204 204 ALA ALA A . n A 1 105 LEU 105 205 205 LEU LEU A . n A 1 106 HIS 106 206 206 HIS HIS A . n A 1 107 ILE 107 207 207 ILE ILE A . n A 1 108 ALA 108 208 208 ALA ALA A . n A 1 109 ILE 109 209 209 ILE ILE A . n A 1 110 GLU 110 210 210 GLU GLU A . n A 1 111 ARG 111 211 211 ARG ARG A . n A 1 112 ARG 112 212 212 ARG ARG A . n A 1 113 ASN 113 213 213 ASN ASN A . n A 1 114 MSE 114 214 214 MSE MSE A . n A 1 115 THR 115 215 215 THR THR A . n A 1 116 LEU 116 216 216 LEU LEU A . n A 1 117 VAL 117 217 217 VAL VAL A . n A 1 118 THR 118 218 218 THR THR A . n A 1 119 LEU 119 219 219 LEU LEU A . n A 1 120 LEU 120 220 220 LEU LEU A . n A 1 121 VAL 121 221 221 VAL VAL A . n A 1 122 GLU 122 222 222 GLU GLU A . n A 1 123 ASN 123 223 223 ASN ASN A . n A 1 124 GLY 124 224 224 GLY GLY A . n A 1 125 ALA 125 225 225 ALA ALA A . n A 1 126 ASP 126 226 226 ASP ASP A . n A 1 127 VAL 127 227 227 VAL VAL A . n A 1 128 GLN 128 228 228 GLN GLN A . n A 1 129 ALA 129 229 229 ALA ALA A . n A 1 130 ALA 130 230 230 ALA ALA A . n A 1 131 ALA 131 231 231 ALA ALA A . n A 1 132 ASN 132 232 232 ASN ASN A . n A 1 133 GLY 133 233 233 GLY GLY A . n A 1 134 ASP 134 234 234 ASP ASP A . n A 1 135 PHE 135 235 235 PHE PHE A . n A 1 136 PHE 136 236 236 PHE PHE A . n A 1 137 LYS 137 237 237 LYS LYS A . n A 1 138 LYS 138 238 238 LYS LYS A . n A 1 139 THR 139 239 239 THR THR A . n A 1 140 LYS 140 240 240 LYS LYS A . n A 1 141 GLY 141 241 241 GLY GLY A . n A 1 142 ARG 142 242 242 ARG ARG A . n A 1 143 PRO 143 243 243 PRO PRO A . n A 1 144 GLY 144 244 244 GLY GLY A . n A 1 145 PHE 145 245 245 PHE PHE A . n A 1 146 TYR 146 246 246 TYR TYR A . n A 1 147 PHE 147 247 247 PHE PHE A . n A 1 148 GLY 148 248 248 GLY GLY A . n A 1 149 GLU 149 249 249 GLU GLU A . n A 1 150 LEU 150 250 250 LEU LEU A . n A 1 151 PRO 151 251 251 PRO PRO A . n A 1 152 LEU 152 252 252 LEU LEU A . n A 1 153 SER 153 253 253 SER SER A . n A 1 154 LEU 154 254 254 LEU LEU A . n A 1 155 ALA 155 255 255 ALA ALA A . n A 1 156 ALA 156 256 256 ALA ALA A . n A 1 157 CYS 157 257 257 CYS CYS A . n A 1 158 THR 158 258 258 THR THR A . n A 1 159 ASN 159 259 259 ASN ASN A . n A 1 160 GLN 160 260 260 GLN GLN A . n A 1 161 LEU 161 261 261 LEU LEU A . n A 1 162 ALA 162 262 262 ALA ALA A . n A 1 163 ILE 163 263 263 ILE ILE A . n A 1 164 VAL 164 264 264 VAL VAL A . n A 1 165 LYS 165 265 265 LYS LYS A . n A 1 166 PHE 166 266 266 PHE PHE A . n A 1 167 LEU 167 267 267 LEU LEU A . n A 1 168 LEU 168 268 268 LEU LEU A . n A 1 169 GLN 169 269 269 GLN GLN A . n A 1 170 ASN 170 270 270 ASN ASN A . n A 1 171 SER 171 271 271 SER SER A . n A 1 172 TRP 172 272 272 TRP TRP A . n A 1 173 GLN 173 273 273 GLN GLN A . n A 1 174 PRO 174 274 274 PRO PRO A . n A 1 175 ALA 175 275 275 ALA ALA A . n A 1 176 ASP 176 276 276 ASP ASP A . n A 1 177 ILE 177 277 277 ILE ILE A . n A 1 178 SER 178 278 278 SER SER A . n A 1 179 ALA 179 279 279 ALA ALA A . n A 1 180 ARG 180 280 280 ARG ARG A . n A 1 181 ASP 181 281 281 ASP ASP A . n A 1 182 SER 182 282 282 SER SER A . n A 1 183 VAL 183 283 283 VAL VAL A . n A 1 184 GLY 184 284 284 GLY GLY A . n A 1 185 ASN 185 285 285 ASN ASN A . n A 1 186 THR 186 286 286 THR THR A . n A 1 187 VAL 187 287 287 VAL VAL A . n A 1 188 LEU 188 288 288 LEU LEU A . n A 1 189 HIS 189 289 289 HIS HIS A . n A 1 190 ALA 190 290 290 ALA ALA A . n A 1 191 LEU 191 291 291 LEU LEU A . n A 1 192 VAL 192 292 292 VAL VAL A . n A 1 193 GLU 193 293 293 GLU GLU A . n A 1 194 VAL 194 294 294 VAL VAL A . n A 1 195 ALA 195 295 295 ALA ALA A . n A 1 196 ASP 196 296 296 ASP ASP A . n A 1 197 ASN 197 297 297 ASN ASN A . n A 1 198 THR 198 298 298 THR THR A . n A 1 199 VAL 199 299 299 VAL VAL A . n A 1 200 ASP 200 300 300 ASP ASP A . n A 1 201 ASN 201 301 301 ASN ASN A . n A 1 202 THR 202 302 302 THR THR A . n A 1 203 LYS 203 303 303 LYS LYS A . n A 1 204 PHE 204 304 304 PHE PHE A . n A 1 205 VAL 205 305 305 VAL VAL A . n A 1 206 THR 206 306 306 THR THR A . n A 1 207 SER 207 307 307 SER SER A . n A 1 208 MSE 208 308 308 MSE MSE A . n A 1 209 TYR 209 309 309 TYR TYR A . n A 1 210 ASN 210 310 310 ASN ASN A . n A 1 211 GLU 211 311 311 GLU GLU A . n A 1 212 ILE 212 312 312 ILE ILE A . n A 1 213 LEU 213 313 313 LEU LEU A . n A 1 214 ILE 214 314 314 ILE ILE A . n A 1 215 LEU 215 315 315 LEU LEU A . n A 1 216 GLY 216 316 316 GLY GLY A . n A 1 217 ALA 217 317 317 ALA ALA A . n A 1 218 LYS 218 318 318 LYS LYS A . n A 1 219 LEU 219 319 319 LEU LEU A . n A 1 220 HIS 220 320 320 HIS HIS A . n A 1 221 PRO 221 321 321 PRO PRO A . n A 1 222 THR 222 322 322 THR THR A . n A 1 223 LEU 223 323 323 LEU LEU A . n A 1 224 LYS 224 324 324 LYS LYS A . n A 1 225 LEU 225 325 325 LEU LEU A . n A 1 226 GLU 226 326 326 GLU GLU A . n A 1 227 GLU 227 327 327 GLU GLU A . n A 1 228 ILE 228 328 328 ILE ILE A . n A 1 229 THR 229 329 329 THR THR A . n A 1 230 ASN 230 330 330 ASN ASN A . n A 1 231 ARG 231 331 331 ARG ARG A . n A 1 232 LYS 232 332 332 LYS LYS A . n A 1 233 GLY 233 333 333 GLY GLY A . n A 1 234 LEU 234 334 334 LEU LEU A . n A 1 235 THR 235 335 335 THR THR A . n A 1 236 PRO 236 336 336 PRO PRO A . n A 1 237 LEU 237 337 337 LEU LEU A . n A 1 238 ALA 238 338 338 ALA ALA A . n A 1 239 LEU 239 339 339 LEU LEU A . n A 1 240 ALA 240 340 340 ALA ALA A . n A 1 241 ALA 241 341 341 ALA ALA A . n A 1 242 SER 242 342 342 SER SER A . n A 1 243 SER 243 343 343 SER SER A . n A 1 244 GLY 244 344 344 GLY GLY A . n A 1 245 LYS 245 345 345 LYS LYS A . n A 1 246 ILE 246 346 346 ILE ILE A . n A 1 247 GLY 247 347 347 GLY GLY A . n A 1 248 VAL 248 348 348 VAL VAL A . n A 1 249 LEU 249 349 349 LEU LEU A . n A 1 250 ALA 250 350 350 ALA ALA A . n A 1 251 TYR 251 351 351 TYR TYR A . n A 1 252 ILE 252 352 352 ILE ILE A . n A 1 253 LEU 253 353 353 LEU LEU A . n A 1 254 GLN 254 354 354 GLN GLN A . n A 1 255 ARG 255 355 355 ARG ARG A . n A 1 256 GLU 256 356 356 GLU GLU A . n A 1 257 ILE 257 357 357 ILE ILE A . n A 1 258 HIS 258 358 358 HIS HIS A . n A 1 259 GLU 259 359 ? ? ? A . n A 1 260 PRO 260 360 ? ? ? A . n A 1 261 GLU 261 361 ? ? ? A . n A 1 262 CYS 262 362 ? ? ? A . n A 1 263 ARG 263 363 ? ? ? A . n A 1 264 HIS 264 364 ? ? ? A . n A 1 265 ALA 265 365 ? ? ? A . n A 1 266 ALA 266 366 ? ? ? A . n A 1 267 ALA 267 367 ? ? ? A . n A 1 268 HIS 268 368 ? ? ? A . n A 1 269 HIS 269 369 ? ? ? A . n A 1 270 HIS 270 370 ? ? ? A . n A 1 271 HIS 271 371 ? ? ? A . n A 1 272 HIS 272 372 ? ? ? A . n A 1 273 HIS 273 373 ? ? ? A . n # 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 MSE 62 A MSE 162 ? MET SELENOMETHIONINE 2 A MSE 114 A MSE 214 ? MET SELENOMETHIONINE 3 A MSE 208 A MSE 308 ? MET SELENOMETHIONINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2007-07-03 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Version format compliance' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.pdbx_refine_id 1 ? refined 24.0981 9.7581 -14.4728 0.4752 0.2421 0.2829 0.2331 0.0041 0.1459 3.4172 6.4183 4.7196 -3.9017 0.7888 -1.5942 -0.0515 0.0498 0.4529 -0.0045 0.1551 0.5508 -1.1717 -0.9588 -0.1036 'X-RAY DIFFRACTION' 2 ? refined 39.0221 -13.2057 -4.7594 0.0496 0.0709 0.0458 0.0481 0.0393 0.0674 3.6334 5.7446 1.0153 -2.1603 -0.7867 0.3384 -0.1396 0.0011 -0.1683 -0.0761 0.1599 0.2955 -0.0109 -0.0657 -0.0202 'X-RAY DIFFRACTION' # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 111 A 11 A 236 A 136 ? 'X-RAY DIFFRACTION' ? 2 2 A 237 A 137 A 358 A 258 ? 'X-RAY DIFFRACTION' ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MOLREP phasing . ? 1 REFMAC refinement 5.2.0019 ? 2 CrystalClear 'data collection' . ? 3 CrystalClear 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # 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 GLU A 128 ? ? -56.94 -9.35 2 1 LYS A 140 ? ? 49.24 26.69 3 1 PRO A 151 ? ? -59.38 -0.70 4 1 ASN A 170 ? ? -171.04 124.11 5 1 LYS A 200 ? ? -37.43 130.22 6 1 THR A 239 ? ? -39.06 137.20 7 1 ARG A 242 ? ? -149.24 -18.66 8 1 PHE A 247 ? ? -147.46 39.98 9 1 GLU A 249 ? ? 76.08 -56.67 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 LYS A 240 ? ? GLY A 241 ? ? 49.33 2 1 ARG A 242 ? ? PRO A 243 ? ? -54.97 3 1 PRO A 243 ? ? GLY A 244 ? ? 73.55 4 1 GLY A 244 ? ? PHE A 245 ? ? 55.40 5 1 PHE A 247 ? ? GLY A 248 ? ? -100.04 6 1 GLY A 248 ? ? GLU A 249 ? ? 130.53 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 101 ? A SER 1 2 1 Y 1 A VAL 102 ? A VAL 2 3 1 Y 1 A SER 103 ? A SER 3 4 1 Y 1 A ALA 104 ? A ALA 4 5 1 Y 1 A GLY 105 ? A GLY 5 6 1 Y 1 A GLU 106 ? A GLU 6 7 1 Y 1 A LYS 107 ? A LYS 7 8 1 Y 1 A PRO 108 ? A PRO 8 9 1 Y 1 A PRO 109 ? A PRO 9 10 1 Y 1 A ARG 110 ? A ARG 10 11 1 Y 1 A GLU 359 ? A GLU 259 12 1 Y 1 A PRO 360 ? A PRO 260 13 1 Y 1 A GLU 361 ? A GLU 261 14 1 Y 1 A CYS 362 ? A CYS 262 15 1 Y 1 A ARG 363 ? A ARG 263 16 1 Y 1 A HIS 364 ? A HIS 264 17 1 Y 1 A ALA 365 ? A ALA 265 18 1 Y 1 A ALA 366 ? A ALA 266 19 1 Y 1 A ALA 367 ? A ALA 267 20 1 Y 1 A HIS 368 ? A HIS 268 21 1 Y 1 A HIS 369 ? A HIS 269 22 1 Y 1 A HIS 370 ? A HIS 270 23 1 Y 1 A HIS 371 ? A HIS 271 24 1 Y 1 A HIS 372 ? A HIS 272 25 1 Y 1 A HIS 373 ? A HIS 273 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 "ADENOSINE-5'-TRIPHOSPHATE" ATP 3 water HOH # 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 ATP 1 374 1 ATP ATP A . C 3 HOH 1 1 1 HOH HOH A . C 3 HOH 2 2 2 HOH HOH A . C 3 HOH 3 3 3 HOH HOH A . C 3 HOH 4 4 4 HOH HOH A . C 3 HOH 5 5 5 HOH HOH A . C 3 HOH 6 6 6 HOH HOH A . C 3 HOH 7 7 7 HOH HOH A . C 3 HOH 8 8 8 HOH HOH A . C 3 HOH 9 9 9 HOH HOH A . C 3 HOH 10 10 10 HOH HOH A . C 3 HOH 11 11 11 HOH HOH A . C 3 HOH 12 12 12 HOH HOH A . C 3 HOH 13 13 13 HOH HOH A . C 3 HOH 14 14 14 HOH HOH A . C 3 HOH 15 15 15 HOH HOH A . C 3 HOH 16 16 16 HOH HOH A . C 3 HOH 17 17 17 HOH HOH A . C 3 HOH 18 18 18 HOH HOH A . C 3 HOH 19 19 19 HOH HOH A . C 3 HOH 20 20 20 HOH HOH A . C 3 HOH 21 21 21 HOH HOH A . C 3 HOH 22 22 22 HOH HOH A . C 3 HOH 23 23 23 HOH HOH A . C 3 HOH 24 24 24 HOH HOH A . C 3 HOH 25 25 25 HOH HOH A . C 3 HOH 26 26 26 HOH HOH A . C 3 HOH 27 27 27 HOH HOH A . C 3 HOH 28 28 28 HOH HOH A . C 3 HOH 29 29 29 HOH HOH A . C 3 HOH 30 31 31 HOH HOH A . C 3 HOH 31 32 32 HOH HOH A . C 3 HOH 32 33 33 HOH HOH A . C 3 HOH 33 34 34 HOH HOH A . C 3 HOH 34 35 35 HOH HOH A . C 3 HOH 35 36 36 HOH HOH A . C 3 HOH 36 37 37 HOH HOH A . C 3 HOH 37 38 38 HOH HOH A . C 3 HOH 38 39 39 HOH HOH A . C 3 HOH 39 40 40 HOH HOH A . C 3 HOH 40 41 41 HOH HOH A . C 3 HOH 41 42 42 HOH HOH A . C 3 HOH 42 43 43 HOH HOH A . C 3 HOH 43 44 44 HOH HOH A . C 3 HOH 44 45 45 HOH HOH A . C 3 HOH 45 46 46 HOH HOH A . C 3 HOH 46 47 47 HOH HOH A . C 3 HOH 47 48 48 HOH HOH A . C 3 HOH 48 49 49 HOH HOH A . C 3 HOH 49 50 50 HOH HOH A . C 3 HOH 50 51 51 HOH HOH A . C 3 HOH 51 52 52 HOH HOH A . C 3 HOH 52 53 53 HOH HOH A . C 3 HOH 53 54 54 HOH HOH A . C 3 HOH 54 55 55 HOH HOH A . C 3 HOH 55 56 56 HOH HOH A . C 3 HOH 56 57 57 HOH HOH A . C 3 HOH 57 58 58 HOH HOH A . C 3 HOH 58 59 59 HOH HOH A . C 3 HOH 59 60 60 HOH HOH A . C 3 HOH 60 61 61 HOH HOH A . C 3 HOH 61 62 62 HOH HOH A . C 3 HOH 62 63 63 HOH HOH A . C 3 HOH 63 64 64 HOH HOH A . C 3 HOH 64 65 65 HOH HOH A . C 3 HOH 65 66 66 HOH HOH A . C 3 HOH 66 67 67 HOH HOH A . C 3 HOH 67 68 68 HOH HOH A . C 3 HOH 68 69 69 HOH HOH A . C 3 HOH 69 70 70 HOH HOH A . C 3 HOH 70 71 71 HOH HOH A . C 3 HOH 71 72 72 HOH HOH A . #