data_3S12 # _entry.id 3S12 # _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 3S12 RCSB RCSB065626 WWPDB D_1000065626 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3S11 . unspecified PDB 3S13 . unspecified # _pdbx_database_status.entry_id 3S12 _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2011-05-14 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'DuBois, R.M.' 1 'Zaraket, H.' 2 'Reddivari, M.' 3 'Heath, R.J.' 4 'White, S.W.' 5 'Russell, C.J.' 6 # _citation.id primary _citation.title 'Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.' _citation.journal_abbrev 'Plos Pathog.' _citation.journal_volume 7 _citation.page_first e1002398 _citation.page_last e1002398 _citation.year 2011 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1553-7366 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22144894 _citation.pdbx_database_id_DOI 10.1371/journal.ppat.1002398 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'DuBois, R.M.' 1 primary 'Zaraket, H.' 2 primary 'Reddivari, M.' 3 primary 'Heath, R.J.' 4 primary 'White, S.W.' 5 primary 'Russell, C.J.' 6 # _cell.entry_id 3S12 _cell.length_a 112.552 _cell.length_b 112.552 _cell.length_c 134.689 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3S12 _symmetry.space_group_name_H-M 'P 3 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 150 _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 'Hemagglutinin HA1 chain' 37782.715 1 ? ? ? ? 2 polymer man 'Hemagglutinin HA2 chain' 20937.143 1 ? ? ? ? 3 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 5 water nat water 18.015 16 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;DLGSMADPGYLLEDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLDGVKPLILRDCSVAGWLLGNPMC DEFINVPEWSYIVEKASPANDLCYPGDFNDYEELKHLLSRINHFEKIQIIPKSSWSNHEASSGVSSACPYLGKSSFFRNV VWLIKKNSAYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPKIATRSKVNGQSGRME FFWTILKPNDAINFESNGNFIAPEYAYKIVKKGDSAIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVK SNRLVLATGLRNTPQR ; ;DLGSMADPGYLLEDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLDGVKPLILRDCSVAGWLLGNPMC DEFINVPEWSYIVEKASPANDLCYPGDFNDYEELKHLLSRINHFEKIQIIPKSSWSNHEASSGVSSACPYLGKSSFFRNV VWLIKKNSAYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPKIATRSKVNGQSGRME FFWTILKPNDAINFESNGNFIAPEYAYKIVKKGDSAIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVK SNRLVLATGLRNTPQR ; A ? 2 'polypeptide(L)' no no ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVKNGTYDYP QYSEEARLNREEISGVRSLVPR ; ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVKNGTYDYP QYSEEARLNREEISGVRSLVPR ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 LEU n 1 3 GLY n 1 4 SER n 1 5 MET n 1 6 ALA n 1 7 ASP n 1 8 PRO n 1 9 GLY n 1 10 TYR n 1 11 LEU n 1 12 LEU n 1 13 GLU n 1 14 ASP n 1 15 GLN n 1 16 ILE n 1 17 CYS n 1 18 ILE n 1 19 GLY n 1 20 TYR n 1 21 HIS n 1 22 ALA n 1 23 ASN n 1 24 ASN n 1 25 SER n 1 26 THR n 1 27 GLU n 1 28 GLN n 1 29 VAL n 1 30 ASP n 1 31 THR n 1 32 ILE n 1 33 MET n 1 34 GLU n 1 35 LYS n 1 36 ASN n 1 37 VAL n 1 38 THR n 1 39 VAL n 1 40 THR n 1 41 HIS n 1 42 ALA n 1 43 GLN n 1 44 ASP n 1 45 ILE n 1 46 LEU n 1 47 GLU n 1 48 LYS n 1 49 THR n 1 50 HIS n 1 51 ASN n 1 52 GLY n 1 53 LYS n 1 54 LEU n 1 55 CYS n 1 56 ASP n 1 57 LEU n 1 58 ASP n 1 59 GLY n 1 60 VAL n 1 61 LYS n 1 62 PRO n 1 63 LEU n 1 64 ILE n 1 65 LEU n 1 66 ARG n 1 67 ASP n 1 68 CYS n 1 69 SER n 1 70 VAL n 1 71 ALA n 1 72 GLY n 1 73 TRP n 1 74 LEU n 1 75 LEU n 1 76 GLY n 1 77 ASN n 1 78 PRO n 1 79 MET n 1 80 CYS n 1 81 ASP n 1 82 GLU n 1 83 PHE n 1 84 ILE n 1 85 ASN n 1 86 VAL n 1 87 PRO n 1 88 GLU n 1 89 TRP n 1 90 SER n 1 91 TYR n 1 92 ILE n 1 93 VAL n 1 94 GLU n 1 95 LYS n 1 96 ALA n 1 97 SER n 1 98 PRO n 1 99 ALA n 1 100 ASN n 1 101 ASP n 1 102 LEU n 1 103 CYS n 1 104 TYR n 1 105 PRO n 1 106 GLY n 1 107 ASP n 1 108 PHE n 1 109 ASN n 1 110 ASP n 1 111 TYR n 1 112 GLU n 1 113 GLU n 1 114 LEU n 1 115 LYS n 1 116 HIS n 1 117 LEU n 1 118 LEU n 1 119 SER n 1 120 ARG n 1 121 ILE n 1 122 ASN n 1 123 HIS n 1 124 PHE n 1 125 GLU n 1 126 LYS n 1 127 ILE n 1 128 GLN n 1 129 ILE n 1 130 ILE n 1 131 PRO n 1 132 LYS n 1 133 SER n 1 134 SER n 1 135 TRP n 1 136 SER n 1 137 ASN n 1 138 HIS n 1 139 GLU n 1 140 ALA n 1 141 SER n 1 142 SER n 1 143 GLY n 1 144 VAL n 1 145 SER n 1 146 SER n 1 147 ALA n 1 148 CYS n 1 149 PRO n 1 150 TYR n 1 151 LEU n 1 152 GLY n 1 153 LYS n 1 154 SER n 1 155 SER n 1 156 PHE n 1 157 PHE n 1 158 ARG n 1 159 ASN n 1 160 VAL n 1 161 VAL n 1 162 TRP n 1 163 LEU n 1 164 ILE n 1 165 LYS n 1 166 LYS n 1 167 ASN n 1 168 SER n 1 169 ALA n 1 170 TYR n 1 171 PRO n 1 172 THR n 1 173 ILE n 1 174 LYS n 1 175 ARG n 1 176 SER n 1 177 TYR n 1 178 ASN n 1 179 ASN n 1 180 THR n 1 181 ASN n 1 182 GLN n 1 183 GLU n 1 184 ASP n 1 185 LEU n 1 186 LEU n 1 187 VAL n 1 188 LEU n 1 189 TRP n 1 190 GLY n 1 191 ILE n 1 192 HIS n 1 193 HIS n 1 194 PRO n 1 195 ASN n 1 196 ASP n 1 197 ALA n 1 198 ALA n 1 199 GLU n 1 200 GLN n 1 201 THR n 1 202 LYS n 1 203 LEU n 1 204 TYR n 1 205 GLN n 1 206 ASN n 1 207 PRO n 1 208 THR n 1 209 THR n 1 210 TYR n 1 211 ILE n 1 212 SER n 1 213 VAL n 1 214 GLY n 1 215 THR n 1 216 SER n 1 217 THR n 1 218 LEU n 1 219 ASN n 1 220 GLN n 1 221 ARG n 1 222 LEU n 1 223 VAL n 1 224 PRO n 1 225 LYS n 1 226 ILE n 1 227 ALA n 1 228 THR n 1 229 ARG n 1 230 SER n 1 231 LYS n 1 232 VAL n 1 233 ASN n 1 234 GLY n 1 235 GLN n 1 236 SER n 1 237 GLY n 1 238 ARG n 1 239 MET n 1 240 GLU n 1 241 PHE n 1 242 PHE n 1 243 TRP n 1 244 THR n 1 245 ILE n 1 246 LEU n 1 247 LYS n 1 248 PRO n 1 249 ASN n 1 250 ASP n 1 251 ALA n 1 252 ILE n 1 253 ASN n 1 254 PHE n 1 255 GLU n 1 256 SER n 1 257 ASN n 1 258 GLY n 1 259 ASN n 1 260 PHE n 1 261 ILE n 1 262 ALA n 1 263 PRO n 1 264 GLU n 1 265 TYR n 1 266 ALA n 1 267 TYR n 1 268 LYS n 1 269 ILE n 1 270 VAL n 1 271 LYS n 1 272 LYS n 1 273 GLY n 1 274 ASP n 1 275 SER n 1 276 ALA n 1 277 ILE n 1 278 MET n 1 279 LYS n 1 280 SER n 1 281 GLU n 1 282 LEU n 1 283 GLU n 1 284 TYR n 1 285 GLY n 1 286 ASN n 1 287 CYS n 1 288 ASN n 1 289 THR n 1 290 LYS n 1 291 CYS n 1 292 GLN n 1 293 THR n 1 294 PRO n 1 295 MET n 1 296 GLY n 1 297 ALA n 1 298 ILE n 1 299 ASN n 1 300 SER n 1 301 SER n 1 302 MET n 1 303 PRO n 1 304 PHE n 1 305 HIS n 1 306 ASN n 1 307 ILE n 1 308 HIS n 1 309 PRO n 1 310 LEU n 1 311 THR n 1 312 ILE n 1 313 GLY n 1 314 GLU n 1 315 CYS n 1 316 PRO n 1 317 LYS n 1 318 TYR n 1 319 VAL n 1 320 LYS n 1 321 SER n 1 322 ASN n 1 323 ARG n 1 324 LEU n 1 325 VAL n 1 326 LEU n 1 327 ALA n 1 328 THR n 1 329 GLY n 1 330 LEU n 1 331 ARG n 1 332 ASN n 1 333 THR n 1 334 PRO n 1 335 GLN n 1 336 ARG n 2 1 GLY n 2 2 LEU n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 GLN n 2 16 GLY n 2 17 MET n 2 18 VAL n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 SER n 2 28 ASN n 2 29 GLU n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 LYS n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 ILE n 2 46 ASP n 2 47 GLY n 2 48 VAL n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 ILE n 2 56 ILE n 2 57 ASP n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 GLY n 2 68 ARG n 2 69 GLU n 2 70 PHE n 2 71 ASN n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 ILE n 2 78 GLU n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 LYS n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 MET n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 ARG n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 PHE n 2 111 HIS n 2 112 ASP n 2 113 SER n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 ASP n 2 121 LYS n 2 122 VAL n 2 123 ARG n 2 124 LEU n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 ALA n 2 131 LYS n 2 132 GLU n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TYR n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASN n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 GLU n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 GLN n 2 162 TYR n 2 163 SER n 2 164 GLU n 2 165 GLU n 2 166 ALA n 2 167 ARG n 2 168 LEU n 2 169 ASN n 2 170 ARG n 2 171 GLU n 2 172 GLU n 2 173 ILE n 2 174 SER n 2 175 GLY n 2 176 VAL n 2 177 ARG n 2 178 SER n 2 179 LEU n 2 180 VAL n 2 181 PRO n 2 182 ARG n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? ? ? HA ? 'A/Chicken/Hong Kong/YU562/2001 (H5N1)' ? ? ? ? 'Influenza A virus' 196426 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? baculovirus ? ? ? pAcGP67B ? ? 2 1 sample ? ? ? ? ? HA ? 'A/Chicken/Hong Kong/YU562/2001 (H5N1)' ? ? ? ? 'Influenza A virus' 196426 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? baculovirus ? ? ? pAcGP67B ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP HEMA_I01A1 Q80A30 1 ;DQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLDGVKPLILRDCSVAGWLLGNPMCDEFINVPEWSYIV EKASPANDLCYPGDFNDYEELKHLLSRINHFEKIQIIPKSSWSNHEASSGVSSACPYLGKSSFFRNVVWLIKKNSAYPTI KRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPKIATRSKVNGQSGRMEFFWTILKPNDAIN FESNGNFIAPEYAYKIVKKGDSAIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVKSNRLVLATGLRNT PQR ; 6 ? 2 UNP HEMA_I01A1 Q80A30 2 ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVKNGTYDYP QYSEEARLNREEISGV ; 336 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3S12 A 14 ? 336 ? Q80A30 6 ? 328 ? 11 326 2 2 3S12 B 1 ? 176 ? Q80A30 336 ? 511 ? 1 176 # 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 3S12 ASP A 1 ? UNP Q80A30 ? ? 'EXPRESSION TAG' -2 1 1 3S12 LEU A 2 ? UNP Q80A30 ? ? 'EXPRESSION TAG' -1 2 1 3S12 GLY A 3 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 0 3 1 3S12 SER A 4 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 1 4 1 3S12 MET A 5 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 2 5 1 3S12 ALA A 6 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 3 6 1 3S12 ASP A 7 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 4 7 1 3S12 PRO A 8 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 5 8 1 3S12 GLY A 9 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 6 9 1 3S12 TYR A 10 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 7 10 1 3S12 LEU A 11 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 8 11 1 3S12 LEU A 12 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 9 12 1 3S12 GLU A 13 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 10 13 2 3S12 ARG B 177 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 177 14 2 3S12 SER B 178 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 178 15 2 3S12 LEU B 179 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 179 16 2 3S12 VAL B 180 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 180 17 2 3S12 PRO B 181 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 181 18 2 3S12 ARG B 182 ? UNP Q80A30 ? ? 'EXPRESSION TAG' 182 19 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3S12 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.19 _exptl_crystal.density_percent_sol 70.67 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.6 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '1.62M ammonium sulfate, 0.1M sodium cacodylate pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MAR CCD' _diffrn_detector.pdbx_collection_date 2010-08-20 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-BM' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-BM _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0000 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3S12 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 3.100 _reflns.number_obs 18334 _reflns.number_all ? _reflns.percent_possible_obs 99.900 _reflns.pdbx_Rmerge_I_obs 0.151 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 6.100 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 11.000 _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 ? # loop_ _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_ordinal _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.percent_possible_all _reflns_shell.Rmerge_I_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.meanI_over_sigI_obs _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 1 1 3.100 3.210 100.000 0.459 ? ? 9.800 ? ? ? ? ? ? 1 2 3.210 3.340 100.000 0.372 ? ? 10.900 ? ? ? ? ? ? 1 3 3.340 3.490 100.000 0.287 ? ? 11.200 ? ? ? ? ? ? 1 4 3.490 3.680 100.000 0.214 ? ? 11.300 ? ? ? ? ? ? 1 5 3.680 3.910 100.000 0.168 ? ? 11.300 ? ? ? ? ? ? 1 6 3.910 4.210 100.000 0.130 ? ? 11.300 ? ? ? ? ? ? 1 7 4.210 4.630 100.000 0.108 ? ? 11.200 ? ? ? ? ? ? 1 8 4.630 5.300 100.000 0.106 ? ? 11.200 ? ? ? ? ? ? 1 9 5.300 6.670 100.000 0.115 ? ? 11.000 ? ? ? ? ? ? 1 10 6.670 50.000 99.400 0.055 ? ? 10.400 ? ? ? ? ? ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3S12 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 17391 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 134.69 _refine.ls_d_res_high 3.10 _refine.ls_percent_reflns_obs 99.69 _refine.ls_R_factor_obs 0.21949 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.21714 _refine.ls_R_factor_R_free 0.26443 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 940 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 1.000 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc 0.896 _refine.correlation_coeff_Fo_to_Fc_free 0.858 _refine.B_iso_mean 37.214 _refine.aniso_B[1][1] 2.64 _refine.aniso_B[2][2] 2.64 _refine.aniso_B[3][3] -3.95 _refine.aniso_B[1][2] 1.32 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] -0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _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 0.970 _refine.pdbx_overall_ESU_R_Free 0.394 _refine.overall_SU_ML 0.276 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 15.382 _refine.overall_SU_R_Cruickshank_DPI 0.9697 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3792 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 52 _refine_hist.number_atoms_solvent 16 _refine_hist.number_atoms_total 3860 _refine_hist.d_res_high 3.10 _refine_hist.d_res_low 134.69 # 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 0.008 0.022 ? 3934 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.117 1.952 ? 5327 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.777 5.000 ? 472 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 38.871 25.306 ? 196 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 19.010 15.000 ? 670 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.818 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.078 0.200 ? 572 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 2990 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.401 1.500 ? 2362 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 0.780 2.000 ? 3808 'X-RAY DIFFRACTION' ? r_scbond_it 0.997 3.000 ? 1572 'X-RAY DIFFRACTION' ? r_scangle_it 1.714 4.500 ? 1519 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 3.102 _refine_ls_shell.d_res_low 3.182 _refine_ls_shell.number_reflns_R_work 1238 _refine_ls_shell.R_factor_R_work 0.281 _refine_ls_shell.percent_reflns_obs 97.53 _refine_ls_shell.R_factor_R_free 0.317 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 65 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3S12 _struct.title 'Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1' _struct.pdbx_descriptor 'Hemagglutinin HA1 chain, Hemagglutinin HA2 chain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3S12 _struct_keywords.text 'hemagglutinin, viral protein, viral envelope protein, viral fusion protein' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # 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 SER A 69 ? GLY A 76 ? SER A 65 GLY A 72 1 ? 8 HELX_P HELX_P2 2 ASP A 110 ? SER A 119 ? ASP A 104 SER A 113 1 ? 10 HELX_P HELX_P3 3 PRO A 131 ? TRP A 135 ? PRO A 125 TRP A 127 5 ? 5 HELX_P HELX_P4 4 ASP A 196 ? GLN A 205 ? ASP A 187 GLN A 196 1 ? 10 HELX_P HELX_P5 5 ASP B 37 ? LYS B 58 ? ASP B 37 LYS B 58 1 ? 22 HELX_P HELX_P6 6 GLU B 74 ? ARG B 127 ? GLU B 74 ARG B 127 1 ? 54 HELX_P HELX_P7 7 ASP B 145 ? ASN B 154 ? ASP B 145 ASN B 154 1 ? 10 HELX_P HELX_P8 8 ASP B 158 ? SER B 163 ? ASP B 158 SER B 163 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 17 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.040 ? disulf2 disulf ? ? A CYS 55 SG ? ? ? 1_555 A CYS 287 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.036 ? disulf3 disulf ? ? A CYS 68 SG ? ? ? 1_555 A CYS 80 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.040 ? disulf4 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 148 SG ? ? A CYS 97 A CYS 139 1_555 ? ? ? ? ? ? ? 2.088 ? disulf5 disulf ? ? A CYS 291 SG ? ? ? 1_555 A CYS 315 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.046 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale ? ? A ASN 36 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 34 A NAG 329 1_555 ? ? ? ? ? ? ? 1.425 ? covale2 covale ? ? A ASN 178 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 169 A NAG 330 1_555 ? ? ? ? ? ? ? 1.429 ? covale3 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 330 A NAG 331 1_555 ? ? ? ? ? ? ? 1.443 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 2 ? C ? 2 ? D ? 3 ? E ? 2 ? F ? 3 ? G ? 5 ? H ? 5 ? I ? 2 ? J ? 4 ? K ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel E 1 2 ? parallel F 1 2 ? parallel F 2 3 ? parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER B 32 ? ALA B 36 ? SER B 32 ALA B 36 A 2 TYR B 22 ? SER B 27 ? TYR B 22 SER B 27 A 3 GLN A 15 ? TYR A 20 ? GLN A 12 TYR A 17 A 4 CYS B 137 ? PHE B 140 ? CYS B 137 PHE B 140 A 5 ALA B 130 ? GLU B 132 ? ALA B 130 GLU B 132 B 1 GLN A 28 ? VAL A 29 ? GLN A 24 VAL A 25 B 2 VAL A 37 ? THR A 38 A VAL A 35 THR A 35 C 1 ALA A 42 ? ASP A 44 ? ALA A 39 ASP A 41 C 2 VAL A 325 ? ALA A 327 ? VAL A 315 ALA A 317 D 1 LEU A 46 ? GLU A 47 ? LEU A 43 GLU A 44 D 2 PHE A 304 ? HIS A 305 ? PHE A 294 HIS A 295 D 3 LYS A 317 ? TYR A 318 ? LYS A 307 TYR A 308 E 1 LEU A 54 ? LEU A 57 A LEU A 51 LEU A 53 E 2 TYR A 284 ? THR A 289 ? TYR A 274 THR A 279 F 1 LEU A 63 ? ILE A 64 ? LEU A 59 ILE A 60 F 2 ILE A 92 ? GLU A 94 ? ILE A 87 GLU A 89 F 3 ILE A 277 ? LYS A 279 ? ILE A 267 LYS A 269 G 1 GLY A 106 ? PHE A 108 ? GLY A 100 PHE A 102 G 2 ARG A 238 ? LEU A 246 ? ARG A 229 LEU A 237 G 3 ASP A 184 ? HIS A 193 ? ASP A 175 HIS A 184 G 4 TYR A 265 ? VAL A 270 ? TYR A 256 VAL A 261 G 5 HIS A 123 ? GLN A 128 ? HIS A 117 GLN A 122 H 1 GLY A 106 ? PHE A 108 ? GLY A 100 PHE A 102 H 2 ARG A 238 ? LEU A 246 ? ARG A 229 LEU A 237 H 3 ASP A 184 ? HIS A 193 ? ASP A 175 HIS A 184 H 4 PHE A 260 ? PRO A 263 ? PHE A 251 PRO A 254 H 5 VAL A 160 ? TRP A 162 ? VAL A 151 TRP A 153 I 1 SER A 145 ? TYR A 150 ? SER A 136 TYR A 141 I 2 LYS A 153 ? SER A 155 ? LYS A 144 SER A 146 J 1 ILE A 173 ? ASN A 178 ? ILE A 164 ASN A 169 J 2 ALA A 251 ? SER A 256 ? ALA A 242 SER A 247 J 3 ILE A 211 ? GLY A 214 ? ILE A 202 GLY A 205 J 4 ASN A 219 ? LEU A 222 ? ASN A 210 LEU A 213 K 1 CYS A 291 ? GLN A 292 ? CYS A 281 GLN A 282 K 2 ILE A 312 ? GLY A 313 ? ILE A 302 GLY A 303 K 3 GLU B 64 ? ALA B 65 ? GLU B 64 ALA B 65 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ALA B 35 ? O ALA B 35 N TYR B 24 ? N TYR B 24 A 2 3 O GLY B 23 ? O GLY B 23 N GLY A 19 ? N GLY A 16 A 3 4 N ILE A 16 ? N ILE A 13 O PHE B 138 ? O PHE B 138 A 4 5 O GLU B 139 ? O GLU B 139 N LYS B 131 ? N LYS B 131 B 1 2 N VAL A 29 ? N VAL A 25 O VAL A 37 ? O VAL A 35 C 1 2 N GLN A 43 ? N GLN A 40 O LEU A 326 ? O LEU A 316 D 1 2 N GLU A 47 ? N GLU A 44 O PHE A 304 ? O PHE A 294 D 2 3 N HIS A 305 ? N HIS A 295 O LYS A 317 ? O LYS A 307 E 1 2 N ASP A 56 ? N ASP A 53 O CYS A 287 ? O CYS A 277 F 1 2 N LEU A 63 ? N LEU A 59 O VAL A 93 ? O VAL A 88 F 2 3 N ILE A 92 ? N ILE A 87 O MET A 278 ? O MET A 268 G 1 2 N ASP A 107 ? N ASP A 101 O PHE A 241 ? O PHE A 232 G 2 3 O ARG A 238 ? O ARG A 229 N HIS A 193 ? N HIS A 184 G 3 4 N ASP A 184 ? N ASP A 175 O ILE A 269 ? O ILE A 260 G 4 5 O LYS A 268 ? O LYS A 259 N GLU A 125 ? N GLU A 119 H 1 2 N ASP A 107 ? N ASP A 101 O PHE A 241 ? O PHE A 232 H 2 3 O ARG A 238 ? O ARG A 229 N HIS A 193 ? N HIS A 184 H 3 4 N GLY A 190 ? N GLY A 181 O ILE A 261 ? O ILE A 252 H 4 5 O ALA A 262 ? O ALA A 253 N VAL A 161 ? N VAL A 152 I 1 2 N TYR A 150 ? N TYR A 141 O LYS A 153 ? O LYS A 144 J 1 2 N ILE A 173 ? N ILE A 164 O SER A 256 ? O SER A 247 J 2 3 O GLU A 255 ? O GLU A 246 N SER A 212 ? N SER A 203 J 3 4 N ILE A 211 ? N ILE A 202 O LEU A 222 ? O LEU A 213 K 1 2 N GLN A 292 ? N GLN A 282 O ILE A 312 ? O ILE A 302 K 2 3 N GLY A 313 ? N GLY A 303 O GLU B 64 ? O GLU B 64 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 327' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 328' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 329' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 330' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 331' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 SER A 145 ? SER A 136 . ? 1_555 ? 2 AC1 4 SER A 146 ? SER A 137 . ? 1_555 ? 3 AC1 4 LYS A 153 ? LYS A 144 . ? 5_556 ? 4 AC1 4 GLN A 235 ? GLN A 226 . ? 1_555 ? 5 AC2 5 TRP A 135 ? TRP A 127 . ? 1_555 ? 6 AC2 5 SER A 136 ? SER A 128 . ? 1_555 ? 7 AC2 5 ASN A 137 ? ASN A 129 . ? 1_555 ? 8 AC2 5 HIS A 138 ? HIS A 130 . ? 1_555 ? 9 AC2 5 ARG A 175 ? ARG A 166 . ? 1_555 ? 10 AC3 1 ASN A 36 ? ASN A 34 . ? 1_555 ? 11 AC4 4 ASN A 178 ? ASN A 169 . ? 1_555 ? 12 AC4 4 ASN A 249 ? ASN A 240 . ? 1_555 ? 13 AC4 4 ALA A 251 ? ALA A 242 . ? 1_555 ? 14 AC4 4 NAG G . ? NAG A 331 . ? 1_555 ? 15 AC5 2 ASN A 249 ? ASN A 240 . ? 1_555 ? 16 AC5 2 NAG F . ? NAG A 330 . ? 1_555 ? # _atom_sites.entry_id 3S12 _atom_sites.fract_transf_matrix[1][1] 0.008885 _atom_sites.fract_transf_matrix[1][2] 0.005130 _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] 0.010259 _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] 0.007425 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 13 ? -58.482 14.325 -39.899 1.00 52.72 ? 10 GLU A N 1 ATOM 2 C CA . GLU A 1 13 ? -58.723 12.977 -39.308 1.00 52.90 ? 10 GLU A CA 1 ATOM 3 C C . GLU A 1 13 ? -57.995 12.767 -37.992 1.00 52.92 ? 10 GLU A C 1 ATOM 4 O O . GLU A 1 13 ? -58.615 12.426 -36.984 1.00 52.91 ? 10 GLU A O 1 ATOM 5 N N . ASP A 1 14 ? -56.681 12.984 -38.006 1.00 52.90 ? 11 ASP A N 1 ATOM 6 C CA . ASP A 1 14 ? -55.814 12.769 -36.840 1.00 52.88 ? 11 ASP A CA 1 ATOM 7 C C . ASP A 1 14 ? -56.041 13.776 -35.701 1.00 52.79 ? 11 ASP A C 1 ATOM 8 O O . ASP A 1 14 ? -56.149 14.978 -35.942 1.00 52.94 ? 11 ASP A O 1 ATOM 9 C CB . ASP A 1 14 ? -54.342 12.789 -37.273 1.00 53.02 ? 11 ASP A CB 1 ATOM 10 C CG . ASP A 1 14 ? -54.004 11.692 -38.288 1.00 53.22 ? 11 ASP A CG 1 ATOM 11 O OD1 . ASP A 1 14 ? -54.903 10.905 -38.668 1.00 53.25 ? 11 ASP A OD1 1 ATOM 12 O OD2 . ASP A 1 14 ? -52.825 11.618 -38.701 1.00 52.80 ? 11 ASP A OD2 1 ATOM 13 N N . GLN A 1 15 ? -56.101 13.274 -34.465 1.00 52.61 ? 12 GLN A N 1 ATOM 14 C CA . GLN A 1 15 ? -56.410 14.095 -33.277 1.00 52.27 ? 12 GLN A CA 1 ATOM 15 C C . GLN A 1 15 ? -55.448 13.922 -32.093 1.00 52.04 ? 12 GLN A C 1 ATOM 16 O O . GLN A 1 15 ? -54.898 12.842 -31.877 1.00 52.02 ? 12 GLN A O 1 ATOM 17 C CB . GLN A 1 15 ? -57.827 13.806 -32.786 1.00 52.15 ? 12 GLN A CB 1 ATOM 18 C CG . GLN A 1 15 ? -58.923 14.309 -33.692 1.00 52.40 ? 12 GLN A CG 1 ATOM 19 C CD . GLN A 1 15 ? -60.304 14.171 -33.073 1.00 53.11 ? 12 GLN A CD 1 ATOM 20 O OE1 . GLN A 1 15 ? -61.312 14.134 -33.783 1.00 53.10 ? 12 GLN A OE1 1 ATOM 21 N NE2 . GLN A 1 15 ? -60.358 14.095 -31.742 1.00 53.20 ? 12 GLN A NE2 1 ATOM 22 N N . ILE A 1 16 ? -55.260 15.003 -31.334 1.00 51.78 ? 13 ILE A N 1 ATOM 23 C CA . ILE A 1 16 ? -54.574 14.961 -30.035 1.00 51.40 ? 13 ILE A CA 1 ATOM 24 C C . ILE A 1 16 ? -55.363 15.761 -28.990 1.00 51.32 ? 13 ILE A C 1 ATOM 25 O O . ILE A 1 16 ? -55.669 16.942 -29.191 1.00 51.35 ? 13 ILE A O 1 ATOM 26 C CB . ILE A 1 16 ? -53.095 15.439 -30.109 1.00 51.28 ? 13 ILE A CB 1 ATOM 27 C CG1 . ILE A 1 16 ? -52.379 15.146 -28.787 1.00 51.16 ? 13 ILE A CG1 1 ATOM 28 C CG2 . ILE A 1 16 ? -53.003 16.921 -30.478 1.00 51.12 ? 13 ILE A CG2 1 ATOM 29 C CD1 . ILE A 1 16 ? -50.866 15.245 -28.847 1.00 51.06 ? 13 ILE A CD1 1 ATOM 30 N N . CYS A 1 17 ? -55.702 15.105 -27.884 1.00 51.09 ? 14 CYS A N 1 ATOM 31 C CA . CYS A 1 17 ? -56.495 15.736 -26.836 1.00 50.91 ? 14 CYS A CA 1 ATOM 32 C C . CYS A 1 17 ? -55.661 16.063 -25.610 1.00 49.91 ? 14 CYS A C 1 ATOM 33 O O . CYS A 1 17 ? -54.603 15.473 -25.393 1.00 49.76 ? 14 CYS A O 1 ATOM 34 C CB . CYS A 1 17 ? -57.668 14.844 -26.445 1.00 51.41 ? 14 CYS A CB 1 ATOM 35 S SG . CYS A 1 17 ? -58.756 14.491 -27.816 1.00 54.45 ? 14 CYS A SG 1 ATOM 36 N N . ILE A 1 18 ? -56.139 17.027 -24.828 1.00 48.83 ? 15 ILE A N 1 ATOM 37 C CA . ILE A 1 18 ? -55.560 17.318 -23.527 1.00 47.72 ? 15 ILE A CA 1 ATOM 38 C C . ILE A 1 18 ? -56.601 16.984 -22.476 1.00 47.15 ? 15 ILE A C 1 ATOM 39 O O . ILE A 1 18 ? -57.778 17.329 -22.614 1.00 47.06 ? 15 ILE A O 1 ATOM 40 C CB . ILE A 1 18 ? -55.129 18.792 -23.374 1.00 47.65 ? 15 ILE A CB 1 ATOM 41 C CG1 . ILE A 1 18 ? -54.582 19.370 -24.692 1.00 47.07 ? 15 ILE A CG1 1 ATOM 42 C CG2 . ILE A 1 18 ? -54.139 18.936 -22.217 1.00 47.56 ? 15 ILE A CG2 1 ATOM 43 C CD1 . ILE A 1 18 ? -53.189 18.927 -25.074 1.00 45.95 ? 15 ILE A CD1 1 ATOM 44 N N . GLY A 1 19 ? -56.162 16.298 -21.430 1.00 46.51 ? 16 GLY A N 1 ATOM 45 C CA . GLY A 1 19 ? -57.066 15.857 -20.389 1.00 45.78 ? 16 GLY A CA 1 ATOM 46 C C . GLY A 1 19 ? -56.384 15.535 -19.082 1.00 45.41 ? 16 GLY A C 1 ATOM 47 O O . GLY A 1 19 ? -55.164 15.668 -18.934 1.00 45.17 ? 16 GLY A O 1 ATOM 48 N N . TYR A 1 20 ? -57.198 15.089 -18.135 1.00 45.19 ? 17 TYR A N 1 ATOM 49 C CA . TYR A 1 20 ? -56.759 14.861 -16.772 1.00 44.86 ? 17 TYR A CA 1 ATOM 50 C C . TYR A 1 20 ? -57.272 13.523 -16.260 1.00 45.20 ? 17 TYR A C 1 ATOM 51 O O . TYR A 1 20 ? -58.325 13.040 -16.685 1.00 45.10 ? 17 TYR A O 1 ATOM 52 C CB . TYR A 1 20 ? -57.211 16.015 -15.862 1.00 44.35 ? 17 TYR A CB 1 ATOM 53 C CG . TYR A 1 20 ? -58.691 16.323 -15.928 1.00 42.68 ? 17 TYR A CG 1 ATOM 54 C CD1 . TYR A 1 20 ? -59.577 15.754 -15.024 1.00 41.82 ? 17 TYR A CD1 1 ATOM 55 C CD2 . TYR A 1 20 ? -59.203 17.184 -16.895 1.00 41.61 ? 17 TYR A CD2 1 ATOM 56 C CE1 . TYR A 1 20 ? -60.936 16.029 -15.079 1.00 41.27 ? 17 TYR A CE1 1 ATOM 57 C CE2 . TYR A 1 20 ? -60.560 17.462 -16.963 1.00 40.97 ? 17 TYR A CE2 1 ATOM 58 C CZ . TYR A 1 20 ? -61.418 16.879 -16.051 1.00 40.76 ? 17 TYR A CZ 1 ATOM 59 O OH . TYR A 1 20 ? -62.762 17.144 -16.105 1.00 40.70 ? 17 TYR A OH 1 ATOM 60 N N . HIS A 1 21 ? -56.498 12.946 -15.345 1.00 45.67 ? 18 HIS A N 1 ATOM 61 C CA . HIS A 1 21 ? -56.766 11.658 -14.704 1.00 46.15 ? 18 HIS A CA 1 ATOM 62 C C . HIS A 1 21 ? -58.062 11.652 -13.888 1.00 46.26 ? 18 HIS A C 1 ATOM 63 O O . HIS A 1 21 ? -58.411 12.651 -13.263 1.00 46.35 ? 18 HIS A O 1 ATOM 64 C CB . HIS A 1 21 ? -55.533 11.294 -13.849 1.00 46.34 ? 18 HIS A CB 1 ATOM 65 C CG . HIS A 1 21 ? -55.786 10.303 -12.752 1.00 46.99 ? 18 HIS A CG 1 ATOM 66 N ND1 . HIS A 1 21 ? -56.483 9.127 -12.940 1.00 47.89 ? 18 HIS A ND1 1 ATOM 67 C CD2 . HIS A 1 21 ? -55.383 10.295 -11.460 1.00 47.35 ? 18 HIS A CD2 1 ATOM 68 C CE1 . HIS A 1 21 ? -56.529 8.457 -11.803 1.00 47.75 ? 18 HIS A CE1 1 ATOM 69 N NE2 . HIS A 1 21 ? -55.865 9.143 -10.890 1.00 47.97 ? 18 HIS A NE2 1 ATOM 70 N N . ALA A 1 22 ? -58.781 10.530 -13.940 1.00 46.49 ? 19 ALA A N 1 ATOM 71 C CA . ALA A 1 22 ? -59.932 10.257 -13.066 1.00 46.77 ? 19 ALA A CA 1 ATOM 72 C C . ALA A 1 22 ? -59.899 8.790 -12.627 1.00 47.00 ? 19 ALA A C 1 ATOM 73 O O . ALA A 1 22 ? -59.217 7.976 -13.253 1.00 47.13 ? 19 ALA A O 1 ATOM 74 C CB . ALA A 1 22 ? -61.238 10.578 -13.772 1.00 46.63 ? 19 ALA A CB 1 ATOM 75 N N . ASN A 1 23 A -60.613 8.453 -11.552 1.00 47.32 ? 19 ASN A N 1 ATOM 76 C CA . ASN A 1 23 A -60.648 7.069 -11.055 1.00 47.48 ? 19 ASN A CA 1 ATOM 77 C C . ASN A 1 23 A -61.951 6.670 -10.371 1.00 47.83 ? 19 ASN A C 1 ATOM 78 O O . ASN A 1 23 A -62.958 7.363 -10.490 1.00 47.72 ? 19 ASN A O 1 ATOM 79 C CB . ASN A 1 23 A -59.431 6.750 -10.163 1.00 47.31 ? 19 ASN A CB 1 ATOM 80 C CG . ASN A 1 23 A -59.373 7.597 -8.902 1.00 47.01 ? 19 ASN A CG 1 ATOM 81 O OD1 . ASN A 1 23 A -60.348 8.249 -8.520 1.00 46.75 ? 19 ASN A OD1 1 ATOM 82 N ND2 . ASN A 1 23 A -58.216 7.590 -8.248 1.00 46.17 ? 19 ASN A ND2 1 ATOM 83 N N . ASN A 1 24 ? -61.917 5.546 -9.660 1.00 48.54 ? 20 ASN A N 1 ATOM 84 C CA . ASN A 1 24 ? -63.105 4.996 -9.005 1.00 49.22 ? 20 ASN A CA 1 ATOM 85 C C . ASN A 1 24 ? -63.412 5.632 -7.642 1.00 49.60 ? 20 ASN A C 1 ATOM 86 O O . ASN A 1 24 ? -64.474 5.373 -7.061 1.00 49.78 ? 20 ASN A O 1 ATOM 87 C CB . ASN A 1 24 ? -63.000 3.462 -8.886 1.00 49.25 ? 20 ASN A CB 1 ATOM 88 C CG . ASN A 1 24 ? -63.430 2.729 -10.168 1.00 49.62 ? 20 ASN A CG 1 ATOM 89 O OD1 . ASN A 1 24 ? -64.214 3.245 -10.974 1.00 49.77 ? 20 ASN A OD1 1 ATOM 90 N ND2 . ASN A 1 24 ? -62.921 1.513 -10.348 1.00 49.68 ? 20 ASN A ND2 1 ATOM 91 N N . SER A 1 25 ? -62.491 6.474 -7.157 1.00 49.90 ? 21 SER A N 1 ATOM 92 C CA . SER A 1 25 ? -62.615 7.162 -5.858 1.00 49.99 ? 21 SER A CA 1 ATOM 93 C C . SER A 1 25 ? -63.949 7.893 -5.640 1.00 50.05 ? 21 SER A C 1 ATOM 94 O O . SER A 1 25 ? -64.421 8.654 -6.495 1.00 49.90 ? 21 SER A O 1 ATOM 95 C CB . SER A 1 25 ? -61.443 8.122 -5.632 1.00 49.97 ? 21 SER A CB 1 ATOM 96 O OG . SER A 1 25 ? -61.591 8.836 -4.417 1.00 50.16 ? 21 SER A OG 1 ATOM 97 N N . THR A 1 26 ? -64.527 7.651 -4.467 1.00 50.14 ? 22 THR A N 1 ATOM 98 C CA . THR A 1 26 ? -65.856 8.136 -4.109 1.00 50.12 ? 22 THR A CA 1 ATOM 99 C C . THR A 1 26 ? -65.789 9.270 -3.066 1.00 50.07 ? 22 THR A C 1 ATOM 100 O O . THR A 1 26 ? -66.815 9.857 -2.689 1.00 49.89 ? 22 THR A O 1 ATOM 101 C CB . THR A 1 26 ? -66.735 6.952 -3.611 1.00 50.16 ? 22 THR A CB 1 ATOM 102 O OG1 . THR A 1 26 ? -68.112 7.346 -3.578 1.00 50.31 ? 22 THR A OG1 1 ATOM 103 C CG2 . THR A 1 26 ? -66.278 6.440 -2.223 1.00 50.00 ? 22 THR A CG2 1 ATOM 104 N N . GLU A 1 27 ? -64.563 9.581 -2.641 1.00 49.95 ? 23 GLU A N 1 ATOM 105 C CA . GLU A 1 27 ? -64.286 10.509 -1.542 1.00 49.96 ? 23 GLU A CA 1 ATOM 106 C C . GLU A 1 27 ? -64.664 11.962 -1.842 1.00 49.39 ? 23 GLU A C 1 ATOM 107 O O . GLU A 1 27 ? -64.399 12.467 -2.930 1.00 49.53 ? 23 GLU A O 1 ATOM 108 C CB . GLU A 1 27 ? -62.806 10.424 -1.178 1.00 50.16 ? 23 GLU A CB 1 ATOM 109 C CG . GLU A 1 27 ? -62.516 10.683 0.287 1.00 51.96 ? 23 GLU A CG 1 ATOM 110 C CD . GLU A 1 27 ? -61.120 10.231 0.693 1.00 54.63 ? 23 GLU A CD 1 ATOM 111 O OE1 . GLU A 1 27 ? -60.786 10.375 1.896 1.00 55.76 ? 23 GLU A OE1 1 ATOM 112 O OE2 . GLU A 1 27 ? -60.360 9.739 -0.182 1.00 54.56 ? 23 GLU A OE2 1 ATOM 113 N N . GLN A 1 28 ? -65.266 12.634 -0.865 1.00 48.71 ? 24 GLN A N 1 ATOM 114 C CA . GLN A 1 28 ? -65.748 14.001 -1.063 1.00 48.05 ? 24 GLN A CA 1 ATOM 115 C C . GLN A 1 28 ? -65.066 15.029 -0.159 1.00 47.41 ? 24 GLN A C 1 ATOM 116 O O . GLN A 1 28 ? -64.813 14.760 1.018 1.00 47.49 ? 24 GLN A O 1 ATOM 117 C CB . GLN A 1 28 ? -67.261 14.062 -0.869 1.00 48.14 ? 24 GLN A CB 1 ATOM 118 C CG . GLN A 1 28 ? -68.022 13.036 -1.687 1.00 48.83 ? 24 GLN A CG 1 ATOM 119 C CD . GLN A 1 28 ? -69.456 13.441 -1.943 1.00 49.90 ? 24 GLN A CD 1 ATOM 120 O OE1 . GLN A 1 28 ? -70.195 13.802 -1.021 1.00 49.82 ? 24 GLN A OE1 1 ATOM 121 N NE2 . GLN A 1 28 ? -69.863 13.383 -3.209 1.00 50.48 ? 24 GLN A NE2 1 ATOM 122 N N . VAL A 1 29 ? -64.765 16.199 -0.723 1.00 46.41 ? 25 VAL A N 1 ATOM 123 C CA . VAL A 1 29 ? -64.223 17.322 0.048 1.00 45.46 ? 25 VAL A CA 1 ATOM 124 C C . VAL A 1 29 ? -65.157 18.516 -0.055 1.00 44.85 ? 25 VAL A C 1 ATOM 125 O O . VAL A 1 29 ? -66.133 18.475 -0.800 1.00 44.70 ? 25 VAL A O 1 ATOM 126 C CB . VAL A 1 29 ? -62.804 17.742 -0.405 1.00 45.39 ? 25 VAL A CB 1 ATOM 127 C CG1 . VAL A 1 29 ? -61.845 16.568 -0.325 1.00 45.36 ? 25 VAL A CG1 1 ATOM 128 C CG2 . VAL A 1 29 ? -62.832 18.336 -1.803 1.00 45.09 ? 25 VAL A CG2 1 ATOM 129 N N . ASP A 1 30 ? -64.854 19.571 0.696 1.00 44.10 ? 26 ASP A N 1 ATOM 130 C CA . ASP A 1 30 ? -65.665 20.780 0.684 1.00 43.44 ? 26 ASP A CA 1 ATOM 131 C C . ASP A 1 30 ? -64.840 22.000 0.295 1.00 42.82 ? 26 ASP A C 1 ATOM 132 O O . ASP A 1 30 ? -63.619 21.998 0.416 1.00 42.54 ? 26 ASP A O 1 ATOM 133 C CB . ASP A 1 30 ? -66.347 20.983 2.040 1.00 43.66 ? 26 ASP A CB 1 ATOM 134 C CG . ASP A 1 30 ? -67.611 20.146 2.195 1.00 44.16 ? 26 ASP A CG 1 ATOM 135 O OD1 . ASP A 1 30 ? -67.551 18.901 2.051 1.00 44.66 ? 26 ASP A OD1 1 ATOM 136 O OD2 . ASP A 1 30 ? -68.673 20.742 2.473 1.00 44.94 ? 26 ASP A OD2 1 ATOM 137 N N . THR A 1 31 ? -65.524 23.035 -0.179 1.00 42.27 ? 27 THR A N 1 ATOM 138 C CA . THR A 1 31 ? -64.883 24.246 -0.673 1.00 41.89 ? 27 THR A CA 1 ATOM 139 C C . THR A 1 31 ? -65.619 25.456 -0.092 1.00 41.73 ? 27 THR A C 1 ATOM 140 O O . THR A 1 31 ? -66.760 25.329 0.354 1.00 41.77 ? 27 THR A O 1 ATOM 141 C CB . THR A 1 31 ? -64.887 24.249 -2.212 1.00 41.83 ? 27 THR A CB 1 ATOM 142 O OG1 . THR A 1 31 ? -64.278 23.044 -2.682 1.00 41.62 ? 27 THR A OG1 1 ATOM 143 C CG2 . THR A 1 31 ? -64.106 25.396 -2.765 1.00 42.11 ? 27 THR A CG2 1 ATOM 144 N N . ILE A 1 32 ? -64.965 26.613 -0.102 1.00 41.48 ? 28 ILE A N 1 ATOM 145 C CA . ILE A 1 32 ? -65.563 27.835 0.420 1.00 41.45 ? 28 ILE A CA 1 ATOM 146 C C . ILE A 1 32 ? -66.641 28.365 -0.518 1.00 41.43 ? 28 ILE A C 1 ATOM 147 O O . ILE A 1 32 ? -67.162 29.463 -0.324 1.00 41.50 ? 28 ILE A O 1 ATOM 148 C CB . ILE A 1 32 ? -64.504 28.932 0.641 1.00 41.49 ? 28 ILE A CB 1 ATOM 149 C CG1 . ILE A 1 32 ? -65.081 30.067 1.489 1.00 41.46 ? 28 ILE A CG1 1 ATOM 150 C CG2 . ILE A 1 32 ? -63.999 29.460 -0.693 1.00 41.38 ? 28 ILE A CG2 1 ATOM 151 C CD1 . ILE A 1 32 ? -64.167 30.518 2.608 1.00 41.77 ? 28 ILE A CD1 1 ATOM 152 N N . MET A 1 33 ? -66.972 27.577 -1.536 1.00 48.11 ? 31 MET A N 1 ATOM 153 C CA . MET A 1 33 ? -67.988 27.964 -2.507 1.00 48.33 ? 31 MET A CA 1 ATOM 154 C C . MET A 1 33 ? -68.949 26.814 -2.789 1.00 48.48 ? 31 MET A C 1 ATOM 155 O O . MET A 1 33 ? -70.156 27.019 -2.922 1.00 48.57 ? 31 MET A O 1 ATOM 156 C CB . MET A 1 33 ? -67.334 28.434 -3.808 1.00 48.49 ? 31 MET A CB 1 ATOM 157 C CG . MET A 1 33 ? -66.378 29.603 -3.636 1.00 48.27 ? 31 MET A CG 1 ATOM 158 S SD . MET A 1 33 ? -66.867 31.049 -4.596 1.00 48.25 ? 31 MET A SD 1 ATOM 159 C CE . MET A 1 33 ? -65.267 31.672 -5.107 1.00 49.02 ? 31 MET A CE 1 ATOM 160 N N . GLU A 1 34 ? -68.406 25.604 -2.880 1.00 48.66 ? 32 GLU A N 1 ATOM 161 C CA . GLU A 1 34 ? -69.214 24.421 -3.147 1.00 48.93 ? 32 GLU A CA 1 ATOM 162 C C . GLU A 1 34 ? -69.098 23.405 -2.016 1.00 48.90 ? 32 GLU A C 1 ATOM 163 O O . GLU A 1 34 ? -68.250 23.539 -1.133 1.00 48.94 ? 32 GLU A O 1 ATOM 164 C CB . GLU A 1 34 ? -68.803 23.779 -4.474 1.00 49.11 ? 32 GLU A CB 1 ATOM 165 C CG . GLU A 1 34 ? -67.636 24.469 -5.161 1.00 49.89 ? 32 GLU A CG 1 ATOM 166 C CD . GLU A 1 34 ? -67.430 23.987 -6.583 1.00 51.01 ? 32 GLU A CD 1 ATOM 167 O OE1 . GLU A 1 34 ? -66.302 24.125 -7.102 1.00 51.10 ? 32 GLU A OE1 1 ATOM 168 O OE2 . GLU A 1 34 ? -68.395 23.469 -7.184 1.00 51.67 ? 32 GLU A OE2 1 ATOM 169 N N . LYS A 1 35 ? -69.954 22.389 -2.049 1.00 48.92 ? 33 LYS A N 1 ATOM 170 C CA . LYS A 1 35 ? -69.949 21.352 -1.031 1.00 48.94 ? 33 LYS A CA 1 ATOM 171 C C . LYS A 1 35 ? -70.074 19.968 -1.660 1.00 48.74 ? 33 LYS A C 1 ATOM 172 O O . LYS A 1 35 ? -70.631 19.817 -2.748 1.00 48.74 ? 33 LYS A O 1 ATOM 173 C CB . LYS A 1 35 ? -71.078 21.601 -0.031 1.00 49.04 ? 33 LYS A CB 1 ATOM 174 C CG . LYS A 1 35 ? -70.871 22.852 0.802 1.00 49.77 ? 33 LYS A CG 1 ATOM 175 C CD . LYS A 1 35 ? -72.058 23.143 1.697 1.00 51.46 ? 33 LYS A CD 1 ATOM 176 C CE . LYS A 1 35 ? -71.659 24.066 2.845 1.00 52.23 ? 33 LYS A CE 1 ATOM 177 N NZ . LYS A 1 35 ? -72.832 24.486 3.664 1.00 52.96 ? 33 LYS A NZ 1 ATOM 178 N N . ASN A 1 36 ? -69.543 18.965 -0.966 1.00 48.54 ? 34 ASN A N 1 ATOM 179 C CA . ASN A 1 36 ? -69.620 17.570 -1.404 1.00 48.40 ? 34 ASN A CA 1 ATOM 180 C C . ASN A 1 36 ? -69.111 17.358 -2.834 1.00 47.77 ? 34 ASN A C 1 ATOM 181 O O . ASN A 1 36 ? -69.778 16.742 -3.657 1.00 47.89 ? 34 ASN A O 1 ATOM 182 C CB . ASN A 1 36 ? -71.046 17.011 -1.214 1.00 48.83 ? 34 ASN A CB 1 ATOM 183 C CG . ASN A 1 36 ? -71.451 16.895 0.260 1.00 49.93 ? 34 ASN A CG 1 ATOM 184 O OD1 . ASN A 1 36 ? -70.605 16.967 1.158 1.00 53.84 ? 34 ASN A OD1 1 ATOM 185 N ND2 . ASN A 1 36 ? -72.746 16.720 0.510 1.00 50.53 ? 34 ASN A ND2 1 ATOM 186 N N . VAL A 1 37 ? -67.924 17.886 -3.112 1.00 47.11 ? 35 VAL A N 1 ATOM 187 C CA . VAL A 1 37 ? -67.266 17.735 -4.409 1.00 46.43 ? 35 VAL A CA 1 ATOM 188 C C . VAL A 1 37 ? -66.435 16.452 -4.401 1.00 46.09 ? 35 VAL A C 1 ATOM 189 O O . VAL A 1 37 ? -65.568 16.285 -3.543 1.00 46.21 ? 35 VAL A O 1 ATOM 190 C CB . VAL A 1 37 ? -66.331 18.940 -4.713 1.00 46.35 ? 35 VAL A CB 1 ATOM 191 C CG1 . VAL A 1 37 ? -65.750 18.836 -6.109 1.00 46.32 ? 35 VAL A CG1 1 ATOM 192 C CG2 . VAL A 1 37 ? -67.064 20.263 -4.542 1.00 46.06 ? 35 VAL A CG2 1 ATOM 193 N N . THR A 1 38 A -66.696 15.552 -5.349 1.00 45.53 ? 35 THR A N 1 ATOM 194 C CA . THR A 1 38 A -65.970 14.277 -5.434 1.00 44.87 ? 35 THR A CA 1 ATOM 195 C C . THR A 1 38 A -64.540 14.502 -5.925 1.00 44.54 ? 35 THR A C 1 ATOM 196 O O . THR A 1 38 A -64.283 15.409 -6.715 1.00 44.40 ? 35 THR A O 1 ATOM 197 C CB . THR A 1 38 A -66.723 13.246 -6.312 1.00 44.94 ? 35 THR A CB 1 ATOM 198 O OG1 . THR A 1 38 A -68.080 13.144 -5.862 1.00 45.04 ? 35 THR A OG1 1 ATOM 199 C CG2 . THR A 1 38 A -66.069 11.861 -6.241 1.00 44.47 ? 35 THR A CG2 1 ATOM 200 N N . VAL A 1 39 ? -63.621 13.665 -5.447 1.00 44.25 ? 36 VAL A N 1 ATOM 201 C CA . VAL A 1 39 ? -62.182 13.912 -5.560 1.00 43.94 ? 36 VAL A CA 1 ATOM 202 C C . VAL A 1 39 ? -61.364 12.632 -5.799 1.00 43.85 ? 36 VAL A C 1 ATOM 203 O O . VAL A 1 39 ? -61.739 11.547 -5.347 1.00 43.71 ? 36 VAL A O 1 ATOM 204 C CB . VAL A 1 39 ? -61.680 14.735 -4.321 1.00 43.87 ? 36 VAL A CB 1 ATOM 205 C CG1 . VAL A 1 39 ? -60.458 14.119 -3.656 1.00 43.65 ? 36 VAL A CG1 1 ATOM 206 C CG2 . VAL A 1 39 ? -61.433 16.177 -4.710 1.00 43.58 ? 36 VAL A CG2 1 ATOM 207 N N . THR A 1 40 ? -60.245 12.777 -6.507 1.00 43.78 ? 37 THR A N 1 ATOM 208 C CA . THR A 1 40 ? -59.423 11.646 -6.939 1.00 43.90 ? 37 THR A CA 1 ATOM 209 C C . THR A 1 40 ? -58.605 11.024 -5.808 1.00 43.92 ? 37 THR A C 1 ATOM 210 O O . THR A 1 40 ? -58.618 9.805 -5.625 1.00 43.91 ? 37 THR A O 1 ATOM 211 C CB . THR A 1 40 ? -58.487 12.058 -8.090 1.00 43.80 ? 37 THR A CB 1 ATOM 212 O OG1 . THR A 1 40 ? -59.238 12.761 -9.079 1.00 44.14 ? 37 THR A OG1 1 ATOM 213 C CG2 . THR A 1 40 ? -57.880 10.851 -8.749 1.00 44.26 ? 37 THR A CG2 1 ATOM 214 N N . HIS A 1 41 ? -57.879 11.869 -5.081 1.00 44.05 ? 38 HIS A N 1 ATOM 215 C CA . HIS A 1 41 ? -57.088 11.467 -3.915 1.00 44.08 ? 38 HIS A CA 1 ATOM 216 C C . HIS A 1 41 ? -57.327 12.532 -2.832 1.00 44.03 ? 38 HIS A C 1 ATOM 217 O O . HIS A 1 41 ? -57.522 13.708 -3.147 1.00 43.86 ? 38 HIS A O 1 ATOM 218 C CB . HIS A 1 41 ? -55.580 11.382 -4.247 1.00 44.23 ? 38 HIS A CB 1 ATOM 219 C CG . HIS A 1 41 ? -55.262 10.870 -5.629 1.00 44.61 ? 38 HIS A CG 1 ATOM 220 N ND1 . HIS A 1 41 ? -54.797 9.593 -5.866 1.00 44.61 ? 38 HIS A ND1 1 ATOM 221 C CD2 . HIS A 1 41 ? -55.302 11.479 -6.841 1.00 44.47 ? 38 HIS A CD2 1 ATOM 222 C CE1 . HIS A 1 41 ? -54.588 9.431 -7.161 1.00 44.03 ? 38 HIS A CE1 1 ATOM 223 N NE2 . HIS A 1 41 ? -54.887 10.561 -7.775 1.00 43.38 ? 38 HIS A NE2 1 ATOM 224 N N . ALA A 1 42 ? -57.313 12.131 -1.562 1.00 44.12 ? 39 ALA A N 1 ATOM 225 C CA . ALA A 1 42 ? -57.561 13.076 -0.456 1.00 44.06 ? 39 ALA A CA 1 ATOM 226 C C . ALA A 1 42 ? -56.708 12.831 0.794 1.00 44.01 ? 39 ALA A C 1 ATOM 227 O O . ALA A 1 42 ? -56.030 11.809 0.910 1.00 44.11 ? 39 ALA A O 1 ATOM 228 C CB . ALA A 1 42 ? -59.039 13.094 -0.095 1.00 44.03 ? 39 ALA A CB 1 ATOM 229 N N . GLN A 1 43 ? -56.745 13.780 1.724 1.00 43.84 ? 40 GLN A N 1 ATOM 230 C CA . GLN A 1 43 ? -56.032 13.645 2.992 1.00 43.59 ? 40 GLN A CA 1 ATOM 231 C C . GLN A 1 43 ? -56.882 14.117 4.148 1.00 43.29 ? 40 GLN A C 1 ATOM 232 O O . GLN A 1 43 ? -57.460 15.195 4.096 1.00 43.34 ? 40 GLN A O 1 ATOM 233 C CB . GLN A 1 43 ? -54.718 14.429 2.978 1.00 43.68 ? 40 GLN A CB 1 ATOM 234 C CG . GLN A 1 43 ? -53.466 13.580 2.771 1.00 44.28 ? 40 GLN A CG 1 ATOM 235 C CD . GLN A 1 43 ? -53.008 12.838 4.028 1.00 44.97 ? 40 GLN A CD 1 ATOM 236 O OE1 . GLN A 1 43 ? -52.026 12.098 3.988 1.00 45.59 ? 40 GLN A OE1 1 ATOM 237 N NE2 . GLN A 1 43 ? -53.712 13.034 5.143 1.00 44.95 ? 40 GLN A NE2 1 ATOM 238 N N . ASP A 1 44 ? -56.955 13.296 5.188 1.00 43.12 ? 41 ASP A N 1 ATOM 239 C CA . ASP A 1 44 ? -57.663 13.648 6.413 1.00 42.82 ? 41 ASP A CA 1 ATOM 240 C C . ASP A 1 44 ? -56.644 14.086 7.456 1.00 42.29 ? 41 ASP A C 1 ATOM 241 O O . ASP A 1 44 ? -55.671 13.380 7.715 1.00 42.36 ? 41 ASP A O 1 ATOM 242 C CB . ASP A 1 44 ? -58.484 12.456 6.913 1.00 42.94 ? 41 ASP A CB 1 ATOM 243 C CG . ASP A 1 44 ? -59.337 12.795 8.128 1.00 44.05 ? 41 ASP A CG 1 ATOM 244 O OD1 . ASP A 1 44 ? -60.017 13.858 8.137 1.00 44.48 ? 41 ASP A OD1 1 ATOM 245 O OD2 . ASP A 1 44 ? -59.330 11.974 9.075 1.00 44.99 ? 41 ASP A OD2 1 ATOM 246 N N . ILE A 1 45 ? -56.856 15.261 8.037 1.00 41.75 ? 42 ILE A N 1 ATOM 247 C CA . ILE A 1 45 ? -55.913 15.804 9.016 1.00 41.28 ? 42 ILE A CA 1 ATOM 248 C C . ILE A 1 45 ? -56.500 15.889 10.422 1.00 41.05 ? 42 ILE A C 1 ATOM 249 O O . ILE A 1 45 ? -55.959 16.570 11.293 1.00 41.12 ? 42 ILE A O 1 ATOM 250 C CB . ILE A 1 45 ? -55.334 17.176 8.581 1.00 41.22 ? 42 ILE A CB 1 ATOM 251 C CG1 . ILE A 1 45 ? -56.455 18.195 8.340 1.00 40.81 ? 42 ILE A CG1 1 ATOM 252 C CG2 . ILE A 1 45 ? -54.437 17.001 7.358 1.00 41.11 ? 42 ILE A CG2 1 ATOM 253 C CD1 . ILE A 1 45 ? -55.991 19.628 8.308 1.00 40.17 ? 42 ILE A CD1 1 ATOM 254 N N . LEU A 1 46 ? -57.601 15.179 10.634 1.00 40.80 ? 43 LEU A N 1 ATOM 255 C CA . LEU A 1 46 ? -58.252 15.143 11.929 1.00 40.62 ? 43 LEU A CA 1 ATOM 256 C C . LEU A 1 46 ? -58.184 13.745 12.514 1.00 40.79 ? 43 LEU A C 1 ATOM 257 O O . LEU A 1 46 ? -58.878 12.838 12.052 1.00 40.89 ? 43 LEU A O 1 ATOM 258 C CB . LEU A 1 46 ? -59.707 15.584 11.799 1.00 40.42 ? 43 LEU A CB 1 ATOM 259 C CG . LEU A 1 46 ? -60.513 15.662 13.091 1.00 39.84 ? 43 LEU A CG 1 ATOM 260 C CD1 . LEU A 1 46 ? -60.034 16.822 13.946 1.00 39.34 ? 43 LEU A CD1 1 ATOM 261 C CD2 . LEU A 1 46 ? -62.001 15.784 12.786 1.00 39.30 ? 43 LEU A CD2 1 ATOM 262 N N . GLU A 1 47 ? -57.339 13.574 13.525 1.00 40.96 ? 44 GLU A N 1 ATOM 263 C CA . GLU A 1 47 ? -57.275 12.320 14.261 1.00 41.26 ? 44 GLU A CA 1 ATOM 264 C C . GLU A 1 47 ? -58.545 12.179 15.087 1.00 41.17 ? 44 GLU A C 1 ATOM 265 O O . GLU A 1 47 ? -58.869 13.045 15.905 1.00 41.16 ? 44 GLU A O 1 ATOM 266 C CB . GLU A 1 47 ? -56.034 12.270 15.161 1.00 41.44 ? 44 GLU A CB 1 ATOM 267 C CG . GLU A 1 47 ? -55.746 10.893 15.770 1.00 42.48 ? 44 GLU A CG 1 ATOM 268 C CD . GLU A 1 47 ? -55.333 9.862 14.728 1.00 44.09 ? 44 GLU A CD 1 ATOM 269 O OE1 . GLU A 1 47 ? -54.245 10.029 14.128 1.00 44.48 ? 44 GLU A OE1 1 ATOM 270 O OE2 . GLU A 1 47 ? -56.098 8.893 14.510 1.00 44.11 ? 44 GLU A OE2 1 ATOM 271 N N . LYS A 1 48 ? -59.278 11.100 14.849 1.00 41.19 ? 45 LYS A N 1 ATOM 272 C CA . LYS A 1 48 ? -60.502 10.839 15.601 1.00 41.23 ? 45 LYS A CA 1 ATOM 273 C C . LYS A 1 48 ? -60.484 9.438 16.187 1.00 41.10 ? 45 LYS A C 1 ATOM 274 O O . LYS A 1 48 ? -61.512 8.921 16.620 1.00 41.12 ? 45 LYS A O 1 ATOM 275 C CB . LYS A 1 48 ? -61.756 11.098 14.751 1.00 41.26 ? 45 LYS A CB 1 ATOM 276 C CG . LYS A 1 48 ? -61.641 10.691 13.302 1.00 41.54 ? 45 LYS A CG 1 ATOM 277 C CD . LYS A 1 48 ? -62.300 11.709 12.396 1.00 41.99 ? 45 LYS A CD 1 ATOM 278 C CE . LYS A 1 48 ? -61.967 11.394 10.947 1.00 43.25 ? 45 LYS A CE 1 ATOM 279 N NZ . LYS A 1 48 ? -62.027 12.601 10.068 1.00 44.55 ? 45 LYS A NZ 1 ATOM 280 N N . THR A 1 49 ? -59.288 8.861 16.242 1.00 41.07 ? 46 THR A N 1 ATOM 281 C CA . THR A 1 49 ? -59.099 7.479 16.648 1.00 41.10 ? 46 THR A CA 1 ATOM 282 C C . THR A 1 49 ? -58.264 7.391 17.938 1.00 41.25 ? 46 THR A C 1 ATOM 283 O O . THR A 1 49 ? -57.196 8.014 18.043 1.00 41.38 ? 46 THR A O 1 ATOM 284 C CB . THR A 1 49 ? -58.466 6.668 15.476 1.00 40.98 ? 46 THR A CB 1 ATOM 285 O OG1 . THR A 1 49 ? -59.337 5.597 15.110 1.00 41.04 ? 46 THR A OG1 1 ATOM 286 C CG2 . THR A 1 49 ? -57.072 6.123 15.807 1.00 40.89 ? 46 THR A CG2 1 ATOM 287 N N . HIS A 1 50 ? -58.766 6.637 18.921 1.00 41.14 ? 47 HIS A N 1 ATOM 288 C CA . HIS A 1 50 ? -58.027 6.386 20.168 1.00 40.99 ? 47 HIS A CA 1 ATOM 289 C C . HIS A 1 50 ? -57.988 4.901 20.515 1.00 40.85 ? 47 HIS A C 1 ATOM 290 O O . HIS A 1 50 ? -58.735 4.107 19.945 1.00 41.01 ? 47 HIS A O 1 ATOM 291 C CB . HIS A 1 50 ? -58.602 7.199 21.325 1.00 40.89 ? 47 HIS A CB 1 ATOM 292 C CG . HIS A 1 50 ? -59.966 6.768 21.755 1.00 41.60 ? 47 HIS A CG 1 ATOM 293 N ND1 . HIS A 1 50 ? -60.176 5.702 22.602 1.00 42.43 ? 47 HIS A ND1 1 ATOM 294 C CD2 . HIS A 1 50 ? -61.192 7.270 21.473 1.00 42.71 ? 47 HIS A CD2 1 ATOM 295 C CE1 . HIS A 1 50 ? -61.472 5.560 22.817 1.00 42.97 ? 47 HIS A CE1 1 ATOM 296 N NE2 . HIS A 1 50 ? -62.111 6.499 22.144 1.00 43.06 ? 47 HIS A NE2 1 ATOM 297 N N . ASN A 1 51 ? -57.121 4.527 21.451 1.00 40.61 ? 48 ASN A N 1 ATOM 298 C CA . ASN A 1 51 ? -56.915 3.118 21.776 1.00 40.40 ? 48 ASN A CA 1 ATOM 299 C C . ASN A 1 51 ? -57.620 2.641 23.050 1.00 40.44 ? 48 ASN A C 1 ATOM 300 O O . ASN A 1 51 ? -57.368 1.532 23.523 1.00 40.54 ? 48 ASN A O 1 ATOM 301 C CB . ASN A 1 51 ? -55.421 2.811 21.855 1.00 40.21 ? 48 ASN A CB 1 ATOM 302 C CG . ASN A 1 51 ? -54.765 3.413 23.083 1.00 40.13 ? 48 ASN A CG 1 ATOM 303 O OD1 . ASN A 1 51 ? -55.390 4.152 23.847 1.00 39.57 ? 48 ASN A OD1 1 ATOM 304 N ND2 . ASN A 1 51 ? -53.491 3.097 23.278 1.00 40.00 ? 48 ASN A ND2 1 ATOM 305 N N . GLY A 1 52 ? -58.478 3.490 23.610 1.00 40.40 ? 49 GLY A N 1 ATOM 306 C CA . GLY A 1 52 ? -59.286 3.145 24.781 1.00 40.25 ? 49 GLY A CA 1 ATOM 307 C C . GLY A 1 52 ? -58.541 2.703 26.031 1.00 40.27 ? 49 GLY A C 1 ATOM 308 O O . GLY A 1 52 ? -59.132 2.069 26.899 1.00 40.26 ? 49 GLY A O 1 ATOM 309 N N . LYS A 1 53 ? -57.254 3.046 26.131 1.00 40.36 ? 50 LYS A N 1 ATOM 310 C CA . LYS A 1 53 ? -56.419 2.682 27.288 1.00 40.42 ? 50 LYS A CA 1 ATOM 311 C C . LYS A 1 53 ? -55.554 3.826 27.848 1.00 40.43 ? 50 LYS A C 1 ATOM 312 O O . LYS A 1 53 ? -55.303 4.820 27.166 1.00 40.52 ? 50 LYS A O 1 ATOM 313 C CB . LYS A 1 53 ? -55.527 1.487 26.931 1.00 40.42 ? 50 LYS A CB 1 ATOM 314 C CG . LYS A 1 53 ? -55.922 0.183 27.607 1.00 40.82 ? 50 LYS A CG 1 ATOM 315 C CD . LYS A 1 53 ? -57.114 -0.484 26.947 1.00 41.62 ? 50 LYS A CD 1 ATOM 316 C CE . LYS A 1 53 ? -57.745 -1.504 27.880 1.00 42.25 ? 50 LYS A CE 1 ATOM 317 N NZ . LYS A 1 53 ? -58.443 -2.595 27.133 1.00 43.40 ? 50 LYS A NZ 1 ATOM 318 N N . LEU A 1 54 ? -55.111 3.685 29.096 1.00 40.42 ? 51 LEU A N 1 ATOM 319 C CA . LEU A 1 54 ? -54.088 4.574 29.651 1.00 40.54 ? 51 LEU A CA 1 ATOM 320 C C . LEU A 1 54 ? -52.724 3.959 29.379 1.00 40.88 ? 51 LEU A C 1 ATOM 321 O O . LEU A 1 54 ? -52.546 2.751 29.520 1.00 40.91 ? 51 LEU A O 1 ATOM 322 C CB . LEU A 1 54 ? -54.261 4.776 31.161 1.00 40.35 ? 51 LEU A CB 1 ATOM 323 C CG . LEU A 1 54 ? -55.631 5.040 31.792 1.00 39.74 ? 51 LEU A CG 1 ATOM 324 C CD1 . LEU A 1 54 ? -55.588 4.676 33.271 1.00 38.71 ? 51 LEU A CD1 1 ATOM 325 C CD2 . LEU A 1 54 ? -56.081 6.477 31.597 1.00 39.02 ? 51 LEU A CD2 1 ATOM 326 N N . CYS A 1 55 ? -51.758 4.792 29.003 1.00 41.45 ? 52 CYS A N 1 ATOM 327 C CA . CYS A 1 55 ? -50.457 4.312 28.529 1.00 41.96 ? 52 CYS A CA 1 ATOM 328 C C . CYS A 1 55 ? -49.289 5.093 29.109 1.00 41.89 ? 52 CYS A C 1 ATOM 329 O O . CYS A 1 55 ? -49.473 6.171 29.681 1.00 41.91 ? 52 CYS A O 1 ATOM 330 C CB . CYS A 1 55 ? -50.407 4.413 27.006 1.00 42.14 ? 52 CYS A CB 1 ATOM 331 S SG . CYS A 1 55 ? -51.772 3.577 26.192 1.00 44.03 ? 52 CYS A SG 1 ATOM 332 N N . ASP A 1 56 ? -48.086 4.549 28.947 1.00 41.96 ? 53 ASP A N 1 ATOM 333 C CA . ASP A 1 56 ? -46.865 5.271 29.285 1.00 42.15 ? 53 ASP A CA 1 ATOM 334 C C . ASP A 1 56 ? -46.831 6.590 28.534 1.00 42.17 ? 53 ASP A C 1 ATOM 335 O O . ASP A 1 56 ? -47.326 6.690 27.416 1.00 42.21 ? 53 ASP A O 1 ATOM 336 C CB . ASP A 1 56 ? -45.619 4.451 28.930 1.00 42.25 ? 53 ASP A CB 1 ATOM 337 C CG . ASP A 1 56 ? -45.375 3.299 29.890 1.00 42.55 ? 53 ASP A CG 1 ATOM 338 O OD1 . ASP A 1 56 ? -46.356 2.753 30.433 1.00 42.89 ? 53 ASP A OD1 1 ATOM 339 O OD2 . ASP A 1 56 ? -44.197 2.932 30.097 1.00 42.85 ? 53 ASP A OD2 1 ATOM 340 N N . LEU A 1 57 A -46.262 7.606 29.161 1.00 42.45 ? 53 LEU A N 1 ATOM 341 C CA . LEU A 1 57 A -46.059 8.878 28.497 1.00 42.52 ? 53 LEU A CA 1 ATOM 342 C C . LEU A 1 57 A -44.569 9.021 28.253 1.00 42.80 ? 53 LEU A C 1 ATOM 343 O O . LEU A 1 57 A -43.802 9.344 29.167 1.00 42.59 ? 53 LEU A O 1 ATOM 344 C CB . LEU A 1 57 A -46.599 10.023 29.344 1.00 42.41 ? 53 LEU A CB 1 ATOM 345 C CG . LEU A 1 57 A -47.044 11.285 28.617 1.00 42.17 ? 53 LEU A CG 1 ATOM 346 C CD1 . LEU A 1 57 A -48.283 11.023 27.784 1.00 42.64 ? 53 LEU A CD1 1 ATOM 347 C CD2 . LEU A 1 57 A -47.320 12.379 29.623 1.00 42.28 ? 53 LEU A CD2 1 ATOM 348 N N . ASP A 1 58 ? -44.182 8.732 27.011 1.00 43.21 ? 54 ASP A N 1 ATOM 349 C CA . ASP A 1 58 ? -42.793 8.769 26.545 1.00 43.57 ? 54 ASP A CA 1 ATOM 350 C C . ASP A 1 58 ? -41.852 7.941 27.419 1.00 43.17 ? 54 ASP A C 1 ATOM 351 O O . ASP A 1 58 ? -40.875 8.459 27.966 1.00 43.18 ? 54 ASP A O 1 ATOM 352 C CB . ASP A 1 58 ? -42.294 10.213 26.402 1.00 43.91 ? 54 ASP A CB 1 ATOM 353 C CG . ASP A 1 58 ? -41.213 10.350 25.346 1.00 45.85 ? 54 ASP A CG 1 ATOM 354 O OD1 . ASP A 1 58 ? -40.170 9.657 25.442 1.00 47.58 ? 54 ASP A OD1 1 ATOM 355 O OD2 . ASP A 1 58 ? -41.411 11.152 24.406 1.00 48.31 ? 54 ASP A OD2 1 ATOM 356 N N . GLY A 1 59 ? -42.160 6.655 27.550 1.00 42.80 ? 55 GLY A N 1 ATOM 357 C CA . GLY A 1 59 ? -41.339 5.746 28.346 1.00 42.24 ? 55 GLY A CA 1 ATOM 358 C C . GLY A 1 59 ? -41.743 5.653 29.807 1.00 41.76 ? 55 GLY A C 1 ATOM 359 O O . GLY A 1 59 ? -41.690 4.577 30.394 1.00 41.94 ? 55 GLY A O 1 ATOM 360 N N . VAL A 1 60 ? -42.165 6.774 30.388 1.00 41.23 ? 56 VAL A N 1 ATOM 361 C CA . VAL A 1 60 ? -42.461 6.849 31.826 1.00 40.45 ? 56 VAL A CA 1 ATOM 362 C C . VAL A 1 60 ? -43.917 6.490 32.185 1.00 39.85 ? 56 VAL A C 1 ATOM 363 O O . VAL A 1 60 ? -44.846 7.264 31.938 1.00 39.55 ? 56 VAL A O 1 ATOM 364 C CB . VAL A 1 60 ? -42.084 8.235 32.411 1.00 40.53 ? 56 VAL A CB 1 ATOM 365 C CG1 . VAL A 1 60 ? -42.134 8.200 33.926 1.00 40.61 ? 56 VAL A CG1 1 ATOM 366 C CG2 . VAL A 1 60 ? -40.694 8.669 31.935 1.00 40.31 ? 56 VAL A CG2 1 ATOM 367 N N . LYS A 1 61 ? -44.073 5.306 32.779 1.00 39.20 ? 57 LYS A N 1 ATOM 368 C CA . LYS A 1 61 ? -45.351 4.751 33.256 1.00 38.51 ? 57 LYS A CA 1 ATOM 369 C C . LYS A 1 61 ? -46.104 5.728 34.169 1.00 37.79 ? 57 LYS A C 1 ATOM 370 O O . LYS A 1 61 ? -45.484 6.440 34.954 1.00 37.73 ? 57 LYS A O 1 ATOM 371 C CB . LYS A 1 61 ? -45.071 3.422 33.989 1.00 38.61 ? 57 LYS A CB 1 ATOM 372 C CG . LYS A 1 61 ? -46.289 2.664 34.527 1.00 39.16 ? 57 LYS A CG 1 ATOM 373 C CD . LYS A 1 61 ? -45.961 1.186 34.845 1.00 39.59 ? 57 LYS A CD 1 ATOM 374 C CE . LYS A 1 61 ? -46.935 0.551 35.878 1.00 39.11 ? 57 LYS A CE 1 ATOM 375 N NZ . LYS A 1 61 ? -48.371 0.505 35.468 1.00 38.02 ? 57 LYS A NZ 1 ATOM 376 N N . PRO A 1 62 ? -47.444 5.783 34.053 1.00 37.17 ? 58 PRO A N 1 ATOM 377 C CA . PRO A 1 62 ? -48.213 6.634 34.958 1.00 36.72 ? 58 PRO A CA 1 ATOM 378 C C . PRO A 1 62 ? -48.416 5.987 36.322 1.00 36.40 ? 58 PRO A C 1 ATOM 379 O O . PRO A 1 62 ? -48.298 4.763 36.454 1.00 36.34 ? 58 PRO A O 1 ATOM 380 C CB . PRO A 1 62 ? -49.564 6.749 34.258 1.00 36.58 ? 58 PRO A CB 1 ATOM 381 C CG . PRO A 1 62 ? -49.694 5.490 33.509 1.00 36.70 ? 58 PRO A CG 1 ATOM 382 C CD . PRO A 1 62 ? -48.305 5.168 33.027 1.00 37.10 ? 58 PRO A CD 1 ATOM 383 N N . LEU A 1 63 ? -48.718 6.810 37.324 1.00 35.93 ? 59 LEU A N 1 ATOM 384 C CA . LEU A 1 63 ? -49.141 6.307 38.622 1.00 35.42 ? 59 LEU A CA 1 ATOM 385 C C . LEU A 1 63 ? -50.656 6.239 38.622 1.00 35.20 ? 59 LEU A C 1 ATOM 386 O O . LEU A 1 63 ? -51.323 7.268 38.607 1.00 35.24 ? 59 LEU A O 1 ATOM 387 C CB . LEU A 1 63 ? -48.641 7.218 39.746 1.00 35.43 ? 59 LEU A CB 1 ATOM 388 C CG . LEU A 1 63 ? -49.158 7.024 41.179 1.00 35.08 ? 59 LEU A CG 1 ATOM 389 C CD1 . LEU A 1 63 ? -48.775 5.663 41.764 1.00 34.20 ? 59 LEU A CD1 1 ATOM 390 C CD2 . LEU A 1 63 ? -48.648 8.153 42.056 1.00 34.72 ? 59 LEU A CD2 1 ATOM 391 N N . ILE A 1 64 ? -51.200 5.030 38.610 1.00 34.90 ? 60 ILE A N 1 ATOM 392 C CA . ILE A 1 64 ? -52.643 4.870 38.634 1.00 34.83 ? 60 ILE A CA 1 ATOM 393 C C . ILE A 1 64 ? -53.069 4.497 40.042 1.00 35.07 ? 60 ILE A C 1 ATOM 394 O O . ILE A 1 64 ? -52.659 3.471 40.574 1.00 35.25 ? 60 ILE A O 1 ATOM 395 C CB . ILE A 1 64 ? -53.129 3.815 37.626 1.00 34.63 ? 60 ILE A CB 1 ATOM 396 C CG1 . ILE A 1 64 ? -52.571 4.109 36.240 1.00 34.43 ? 60 ILE A CG1 1 ATOM 397 C CG2 . ILE A 1 64 ? -54.645 3.799 37.562 1.00 34.53 ? 60 ILE A CG2 1 ATOM 398 C CD1 . ILE A 1 64 ? -52.343 2.879 35.423 1.00 34.14 ? 60 ILE A CD1 1 ATOM 399 N N . LEU A 1 65 ? -53.875 5.355 40.649 1.00 35.37 ? 61 LEU A N 1 ATOM 400 C CA . LEU A 1 65 ? -54.428 5.086 41.961 1.00 35.70 ? 61 LEU A CA 1 ATOM 401 C C . LEU A 1 65 ? -55.760 4.396 41.740 1.00 36.25 ? 61 LEU A C 1 ATOM 402 O O . LEU A 1 65 ? -56.730 5.030 41.321 1.00 36.45 ? 61 LEU A O 1 ATOM 403 C CB . LEU A 1 65 ? -54.601 6.384 42.756 1.00 35.47 ? 61 LEU A CB 1 ATOM 404 C CG . LEU A 1 65 ? -53.367 7.282 42.892 1.00 34.74 ? 61 LEU A CG 1 ATOM 405 C CD1 . LEU A 1 65 ? -53.755 8.617 43.460 1.00 34.42 ? 61 LEU A CD1 1 ATOM 406 C CD2 . LEU A 1 65 ? -52.296 6.632 43.749 1.00 34.09 ? 61 LEU A CD2 1 ATOM 407 N N . ARG A 1 66 ? -55.788 3.092 42.003 1.00 36.92 ? 62 ARG A N 1 ATOM 408 C CA . ARG A 1 66 ? -56.944 2.243 41.718 1.00 37.48 ? 62 ARG A CA 1 ATOM 409 C C . ARG A 1 66 ? -58.242 2.908 42.146 1.00 37.25 ? 62 ARG A C 1 ATOM 410 O O . ARG A 1 66 ? -59.071 3.267 41.308 1.00 37.36 ? 62 ARG A O 1 ATOM 411 C CB . ARG A 1 66 ? -56.795 0.879 42.401 1.00 37.92 ? 62 ARG A CB 1 ATOM 412 C CG . ARG A 1 66 ? -55.962 -0.151 41.620 1.00 40.25 ? 62 ARG A CG 1 ATOM 413 C CD . ARG A 1 66 ? -56.304 -1.606 42.019 1.00 43.89 ? 62 ARG A CD 1 ATOM 414 N NE . ARG A 1 66 ? -57.743 -1.880 41.931 1.00 45.94 ? 62 ARG A NE 1 ATOM 415 C CZ . ARG A 1 66 ? -58.582 -1.875 42.970 1.00 47.27 ? 62 ARG A CZ 1 ATOM 416 N NH1 . ARG A 1 66 ? -58.139 -1.625 44.199 1.00 47.75 ? 62 ARG A NH1 1 ATOM 417 N NH2 . ARG A 1 66 ? -59.872 -2.121 42.783 1.00 47.87 ? 62 ARG A NH2 1 ATOM 418 N N . ASP A 1 67 ? -58.402 3.091 43.452 1.00 37.12 ? 63 ASP A N 1 ATOM 419 C CA . ASP A 1 67 ? -59.605 3.702 43.988 1.00 36.90 ? 63 ASP A CA 1 ATOM 420 C C . ASP A 1 67 ? -59.307 4.583 45.198 1.00 36.35 ? 63 ASP A C 1 ATOM 421 O O . ASP A 1 67 ? -60.181 4.812 46.039 1.00 36.35 ? 63 ASP A O 1 ATOM 422 C CB . ASP A 1 67 ? -60.641 2.626 44.328 1.00 37.36 ? 63 ASP A CB 1 ATOM 423 C CG . ASP A 1 67 ? -62.060 3.041 43.956 1.00 38.43 ? 63 ASP A CG 1 ATOM 424 O OD1 . ASP A 1 67 ? -62.318 4.264 43.825 1.00 39.34 ? 63 ASP A OD1 1 ATOM 425 O OD2 . ASP A 1 67 ? -62.920 2.139 43.801 1.00 39.33 ? 63 ASP A OD2 1 ATOM 426 N N . CYS A 1 68 ? -58.068 5.074 45.267 1.00 35.58 ? 64 CYS A N 1 ATOM 427 C CA . CYS A 1 68 ? -57.660 6.061 46.265 1.00 35.06 ? 64 CYS A CA 1 ATOM 428 C C . CYS A 1 68 ? -57.559 7.453 45.690 1.00 33.74 ? 64 CYS A C 1 ATOM 429 O O . CYS A 1 68 ? -57.350 7.628 44.490 1.00 33.99 ? 64 CYS A O 1 ATOM 430 C CB . CYS A 1 68 ? -56.307 5.701 46.846 1.00 35.31 ? 64 CYS A CB 1 ATOM 431 S SG . CYS A 1 68 ? -56.332 4.087 47.546 1.00 39.57 ? 64 CYS A SG 1 ATOM 432 N N . SER A 1 69 ? -57.705 8.443 46.558 1.00 32.12 ? 65 SER A N 1 ATOM 433 C CA . SER A 1 69 ? -57.359 9.803 46.216 1.00 30.54 ? 65 SER A CA 1 ATOM 434 C C . SER A 1 69 ? -55.881 9.974 46.507 1.00 29.51 ? 65 SER A C 1 ATOM 435 O O . SER A 1 69 ? -55.311 9.222 47.291 1.00 29.33 ? 65 SER A O 1 ATOM 436 C CB . SER A 1 69 ? -58.151 10.763 47.080 1.00 30.58 ? 65 SER A CB 1 ATOM 437 O OG . SER A 1 69 ? -57.799 10.573 48.435 1.00 30.13 ? 65 SER A OG 1 ATOM 438 N N . VAL A 1 70 ? -55.260 10.966 45.890 1.00 28.38 ? 66 VAL A N 1 ATOM 439 C CA . VAL A 1 70 ? -53.869 11.280 46.191 1.00 27.36 ? 66 VAL A CA 1 ATOM 440 C C . VAL A 1 70 ? -53.646 11.369 47.713 1.00 26.96 ? 66 VAL A C 1 ATOM 441 O O . VAL A 1 70 ? -52.698 10.782 48.240 1.00 26.95 ? 66 VAL A O 1 ATOM 442 C CB . VAL A 1 70 ? -53.406 12.571 45.474 1.00 27.20 ? 66 VAL A CB 1 ATOM 443 C CG1 . VAL A 1 70 ? -51.953 12.874 45.796 1.00 26.86 ? 66 VAL A CG1 1 ATOM 444 C CG2 . VAL A 1 70 ? -53.594 12.441 43.975 1.00 26.26 ? 66 VAL A CG2 1 ATOM 445 N N . ALA A 1 71 ? -54.539 12.072 48.409 1.00 26.29 ? 67 ALA A N 1 ATOM 446 C CA . ALA A 1 71 ? -54.449 12.230 49.862 1.00 25.65 ? 67 ALA A CA 1 ATOM 447 C C . ALA A 1 71 ? -54.379 10.886 50.581 1.00 25.22 ? 67 ALA A C 1 ATOM 448 O O . ALA A 1 71 ? -53.413 10.610 51.297 1.00 25.13 ? 67 ALA A O 1 ATOM 449 C CB . ALA A 1 71 ? -55.614 13.055 50.384 1.00 25.60 ? 67 ALA A CB 1 ATOM 450 N N . GLY A 1 72 ? -55.396 10.055 50.371 1.00 24.69 ? 68 GLY A N 1 ATOM 451 C CA . GLY A 1 72 ? -55.480 8.741 51.003 1.00 24.25 ? 68 GLY A CA 1 ATOM 452 C C . GLY A 1 72 ? -54.277 7.869 50.706 1.00 24.01 ? 68 GLY A C 1 ATOM 453 O O . GLY A 1 72 ? -53.765 7.174 51.585 1.00 24.01 ? 68 GLY A O 1 ATOM 454 N N . TRP A 1 73 ? -53.820 7.915 49.459 1.00 23.76 ? 69 TRP A N 1 ATOM 455 C CA . TRP A 1 73 ? -52.618 7.204 49.055 1.00 23.27 ? 69 TRP A CA 1 ATOM 456 C C . TRP A 1 73 ? -51.383 7.685 49.819 1.00 22.94 ? 69 TRP A C 1 ATOM 457 O O . TRP A 1 73 ? -50.620 6.864 50.307 1.00 22.92 ? 69 TRP A O 1 ATOM 458 C CB . TRP A 1 73 ? -52.417 7.309 47.543 1.00 23.34 ? 69 TRP A CB 1 ATOM 459 C CG . TRP A 1 73 ? -51.117 6.757 47.070 1.00 23.37 ? 69 TRP A CG 1 ATOM 460 C CD1 . TRP A 1 73 ? -50.761 5.439 46.998 1.00 23.09 ? 69 TRP A CD1 1 ATOM 461 C CD2 . TRP A 1 73 ? -49.993 7.507 46.589 1.00 23.27 ? 69 TRP A CD2 1 ATOM 462 N NE1 . TRP A 1 73 ? -49.477 5.323 46.514 1.00 23.66 ? 69 TRP A NE1 1 ATOM 463 C CE2 . TRP A 1 73 ? -48.982 6.574 46.253 1.00 23.27 ? 69 TRP A CE2 1 ATOM 464 C CE3 . TRP A 1 73 ? -49.746 8.874 46.400 1.00 22.52 ? 69 TRP A CE3 1 ATOM 465 C CZ2 . TRP A 1 73 ? -47.741 6.965 45.745 1.00 22.92 ? 69 TRP A CZ2 1 ATOM 466 C CZ3 . TRP A 1 73 ? -48.514 9.262 45.895 1.00 22.76 ? 69 TRP A CZ3 1 ATOM 467 C CH2 . TRP A 1 73 ? -47.525 8.310 45.576 1.00 23.18 ? 69 TRP A CH2 1 ATOM 468 N N . LEU A 1 74 ? -51.210 9.003 49.943 1.00 22.70 ? 70 LEU A N 1 ATOM 469 C CA . LEU A 1 74 ? -50.051 9.591 50.641 1.00 22.49 ? 70 LEU A CA 1 ATOM 470 C C . LEU A 1 74 ? -50.007 9.282 52.131 1.00 22.53 ? 70 LEU A C 1 ATOM 471 O O . LEU A 1 74 ? -48.955 8.949 52.676 1.00 22.08 ? 70 LEU A O 1 ATOM 472 C CB . LEU A 1 74 ? -50.023 11.111 50.467 1.00 22.29 ? 70 LEU A CB 1 ATOM 473 C CG . LEU A 1 74 ? -49.538 11.702 49.144 1.00 22.37 ? 70 LEU A CG 1 ATOM 474 C CD1 . LEU A 1 74 ? -49.946 13.162 49.073 1.00 22.74 ? 70 LEU A CD1 1 ATOM 475 C CD2 . LEU A 1 74 ? -48.032 11.546 48.951 1.00 21.49 ? 70 LEU A CD2 1 ATOM 476 N N . LEU A 1 75 ? -51.162 9.418 52.777 1.00 22.88 ? 71 LEU A N 1 ATOM 477 C CA . LEU A 1 75 ? -51.299 9.241 54.217 1.00 23.10 ? 71 LEU A CA 1 ATOM 478 C C . LEU A 1 75 ? -51.320 7.771 54.621 1.00 23.71 ? 71 LEU A C 1 ATOM 479 O O . LEU A 1 75 ? -51.022 7.424 55.766 1.00 23.85 ? 71 LEU A O 1 ATOM 480 C CB . LEU A 1 75 ? -52.573 9.924 54.703 1.00 22.69 ? 71 LEU A CB 1 ATOM 481 C CG . LEU A 1 75 ? -52.670 11.436 54.556 1.00 21.90 ? 71 LEU A CG 1 ATOM 482 C CD1 . LEU A 1 75 ? -54.042 11.908 54.976 1.00 21.34 ? 71 LEU A CD1 1 ATOM 483 C CD2 . LEU A 1 75 ? -51.600 12.113 55.386 1.00 21.51 ? 71 LEU A CD2 1 ATOM 484 N N . GLY A 1 76 ? -51.672 6.909 53.677 1.00 24.26 ? 72 GLY A N 1 ATOM 485 C CA . GLY A 1 76 ? -51.746 5.488 53.950 1.00 25.24 ? 72 GLY A CA 1 ATOM 486 C C . GLY A 1 76 ? -53.076 5.106 54.552 1.00 25.87 ? 72 GLY A C 1 ATOM 487 O O . GLY A 1 76 ? -53.131 4.465 55.595 1.00 26.06 ? 72 GLY A O 1 ATOM 488 N N . ASN A 1 77 ? -54.150 5.527 53.899 1.00 26.63 ? 73 ASN A N 1 ATOM 489 C CA . ASN A 1 77 ? -55.484 5.033 54.186 1.00 27.41 ? 73 ASN A CA 1 ATOM 490 C C . ASN A 1 77 ? -55.455 3.501 54.208 1.00 28.34 ? 73 ASN A C 1 ATOM 491 O O . ASN A 1 77 ? -55.003 2.881 53.248 1.00 28.34 ? 73 ASN A O 1 ATOM 492 C CB . ASN A 1 77 ? -56.445 5.551 53.117 1.00 27.08 ? 73 ASN A CB 1 ATOM 493 C CG . ASN A 1 77 ? -57.887 5.273 53.437 1.00 26.88 ? 73 ASN A CG 1 ATOM 494 O OD1 . ASN A 1 77 ? -58.219 4.250 54.026 1.00 27.03 ? 73 ASN A OD1 1 ATOM 495 N ND2 . ASN A 1 77 ? -58.764 6.184 53.037 1.00 26.98 ? 73 ASN A ND2 1 ATOM 496 N N . PRO A 1 78 ? -55.888 2.886 55.323 1.00 29.46 ? 74 PRO A N 1 ATOM 497 C CA . PRO A 1 78 ? -55.898 1.427 55.406 1.00 30.54 ? 74 PRO A CA 1 ATOM 498 C C . PRO A 1 78 ? -56.834 0.752 54.398 1.00 31.89 ? 74 PRO A C 1 ATOM 499 O O . PRO A 1 78 ? -56.541 -0.355 53.944 1.00 31.99 ? 74 PRO A O 1 ATOM 500 C CB . PRO A 1 78 ? -56.359 1.158 56.842 1.00 30.36 ? 74 PRO A CB 1 ATOM 501 C CG . PRO A 1 78 ? -56.982 2.418 57.301 1.00 29.99 ? 74 PRO A CG 1 ATOM 502 C CD . PRO A 1 78 ? -56.227 3.500 56.616 1.00 29.51 ? 74 PRO A CD 1 ATOM 503 N N . MET A 1 79 ? -57.933 1.425 54.044 1.00 33.60 ? 75 MET A N 1 ATOM 504 C CA . MET A 1 79 ? -58.929 0.908 53.083 1.00 35.19 ? 75 MET A CA 1 ATOM 505 C C . MET A 1 79 ? -58.387 0.874 51.651 1.00 36.17 ? 75 MET A C 1 ATOM 506 O O . MET A 1 79 ? -58.954 0.220 50.778 1.00 36.55 ? 75 MET A O 1 ATOM 507 C CB . MET A 1 79 ? -60.220 1.739 53.143 1.00 35.22 ? 75 MET A CB 1 ATOM 508 C CG . MET A 1 79 ? -60.750 1.984 54.567 1.00 36.29 ? 75 MET A CG 1 ATOM 509 S SD . MET A 1 79 ? -62.241 3.008 54.700 1.00 38.07 ? 75 MET A SD 1 ATOM 510 C CE . MET A 1 79 ? -63.549 1.815 54.383 1.00 37.07 ? 75 MET A CE 1 ATOM 511 N N . CYS A 1 80 ? -57.287 1.591 51.433 1.00 37.44 ? 76 CYS A N 1 ATOM 512 C CA . CYS A 1 80 ? -56.575 1.653 50.163 1.00 38.47 ? 76 CYS A CA 1 ATOM 513 C C . CYS A 1 80 ? -55.696 0.433 49.997 1.00 39.36 ? 76 CYS A C 1 ATOM 514 O O . CYS A 1 80 ? -55.596 -0.389 50.909 1.00 39.77 ? 76 CYS A O 1 ATOM 515 C CB . CYS A 1 80 ? -55.678 2.889 50.163 1.00 38.34 ? 76 CYS A CB 1 ATOM 516 S SG . CYS A 1 80 ? -56.482 4.364 49.562 1.00 38.81 ? 76 CYS A SG 1 ATOM 517 N N . ASP A 1 81 ? -55.041 0.327 48.842 1.00 40.31 ? 77 ASP A N 1 ATOM 518 C CA . ASP A 1 81 ? -53.988 -0.673 48.636 1.00 41.04 ? 77 ASP A CA 1 ATOM 519 C C . ASP A 1 81 ? -52.617 -0.082 48.981 1.00 41.16 ? 77 ASP A C 1 ATOM 520 O O . ASP A 1 81 ? -51.630 -0.806 49.143 1.00 41.31 ? 77 ASP A O 1 ATOM 521 C CB . ASP A 1 81 ? -53.997 -1.183 47.192 1.00 41.36 ? 77 ASP A CB 1 ATOM 522 C CG . ASP A 1 81 ? -55.361 -1.709 46.757 1.00 42.47 ? 77 ASP A CG 1 ATOM 523 O OD1 . ASP A 1 81 ? -56.096 -2.262 47.613 1.00 43.12 ? 77 ASP A OD1 1 ATOM 524 O OD2 . ASP A 1 81 ? -55.691 -1.572 45.551 1.00 43.63 ? 77 ASP A OD2 1 ATOM 525 N N . ASN A 1 85 ? -45.138 0.922 46.114 1.00 46.66 ? 81 ASN A N 1 ATOM 526 C CA . ASN A 1 85 ? -43.882 1.573 45.753 1.00 46.78 ? 81 ASN A CA 1 ATOM 527 C C . ASN A 1 85 ? -43.712 1.710 44.232 1.00 46.50 ? 81 ASN A C 1 ATOM 528 O O . ASN A 1 85 ? -43.716 0.716 43.490 1.00 46.59 ? 81 ASN A O 1 ATOM 529 C CB . ASN A 1 85 ? -42.686 0.832 46.385 1.00 47.04 ? 81 ASN A CB 1 ATOM 530 C CG . ASN A 1 85 ? -41.314 1.430 45.990 1.00 48.08 ? 81 ASN A CG 1 ATOM 531 O OD1 . ASN A 1 85 ? -41.174 2.137 44.978 1.00 48.25 ? 81 ASN A OD1 1 ATOM 532 N ND2 . ASN A 1 85 ? -40.292 1.127 46.797 1.00 48.67 ? 81 ASN A ND2 1 ATOM 533 N N . VAL A 1 86 ? -43.569 2.958 43.788 1.00 45.88 ? 82 VAL A N 1 ATOM 534 C CA . VAL A 1 86 ? -43.293 3.305 42.391 1.00 45.01 ? 82 VAL A CA 1 ATOM 535 C C . VAL A 1 86 ? -42.270 4.451 42.422 1.00 44.25 ? 82 VAL A C 1 ATOM 536 O O . VAL A 1 86 ? -42.485 5.457 43.105 1.00 44.40 ? 82 VAL A O 1 ATOM 537 C CB . VAL A 1 86 ? -44.577 3.761 41.642 1.00 45.08 ? 82 VAL A CB 1 ATOM 538 C CG1 . VAL A 1 86 ? -44.270 4.087 40.187 1.00 45.10 ? 82 VAL A CG1 1 ATOM 539 C CG2 . VAL A 1 86 ? -45.689 2.703 41.737 1.00 44.97 ? 82 VAL A CG2 1 ATOM 540 N N . PRO A 1 87 A -41.147 4.301 41.700 1.00 43.30 ? 82 PRO A N 1 ATOM 541 C CA . PRO A 1 87 A -40.088 5.294 41.889 1.00 42.37 ? 82 PRO A CA 1 ATOM 542 C C . PRO A 1 87 A -40.278 6.577 41.078 1.00 41.36 ? 82 PRO A C 1 ATOM 543 O O . PRO A 1 87 A -39.656 7.592 41.402 1.00 41.31 ? 82 PRO A O 1 ATOM 544 C CB . PRO A 1 87 A -38.812 4.551 41.445 1.00 42.55 ? 82 PRO A CB 1 ATOM 545 C CG . PRO A 1 87 A -39.274 3.198 40.894 1.00 42.91 ? 82 PRO A CG 1 ATOM 546 C CD . PRO A 1 87 A -40.764 3.268 40.724 1.00 43.22 ? 82 PRO A CD 1 ATOM 547 N N . GLU A 1 88 ? -41.123 6.532 40.044 1.00 40.09 ? 83 GLU A N 1 ATOM 548 C CA . GLU A 1 88 ? -41.338 7.679 39.147 1.00 38.84 ? 83 GLU A CA 1 ATOM 549 C C . GLU A 1 88 ? -42.616 7.557 38.327 1.00 37.54 ? 83 GLU A C 1 ATOM 550 O O . GLU A 1 88 ? -43.087 6.453 38.056 1.00 37.41 ? 83 GLU A O 1 ATOM 551 C CB . GLU A 1 88 ? -40.152 7.851 38.193 1.00 39.02 ? 83 GLU A CB 1 ATOM 552 C CG . GLU A 1 88 ? -39.969 6.688 37.226 1.00 40.39 ? 83 GLU A CG 1 ATOM 553 C CD . GLU A 1 88 ? -38.615 6.686 36.546 1.00 42.12 ? 83 GLU A CD 1 ATOM 554 O OE1 . GLU A 1 88 ? -37.833 5.749 36.818 1.00 42.57 ? 83 GLU A OE1 1 ATOM 555 O OE2 . GLU A 1 88 ? -38.334 7.613 35.750 1.00 42.78 ? 83 GLU A OE2 1 ATOM 556 N N . TRP A 1 89 ? -43.161 8.704 37.932 1.00 36.08 ? 84 TRP A N 1 ATOM 557 C CA . TRP A 1 89 ? -44.307 8.762 37.021 1.00 34.59 ? 84 TRP A CA 1 ATOM 558 C C . TRP A 1 89 ? -44.360 10.064 36.201 1.00 33.75 ? 84 TRP A C 1 ATOM 559 O O . TRP A 1 89 ? -43.692 11.056 36.523 1.00 33.45 ? 84 TRP A O 1 ATOM 560 C CB . TRP A 1 89 ? -45.632 8.523 37.761 1.00 34.40 ? 84 TRP A CB 1 ATOM 561 C CG . TRP A 1 89 ? -45.917 9.517 38.838 1.00 33.74 ? 84 TRP A CG 1 ATOM 562 C CD1 . TRP A 1 89 ? -46.565 10.713 38.705 1.00 33.50 ? 84 TRP A CD1 1 ATOM 563 C CD2 . TRP A 1 89 ? -45.566 9.403 40.217 1.00 33.12 ? 84 TRP A CD2 1 ATOM 564 N NE1 . TRP A 1 89 ? -46.636 11.352 39.915 1.00 32.93 ? 84 TRP A NE1 1 ATOM 565 C CE2 . TRP A 1 89 ? -46.029 10.570 40.862 1.00 33.17 ? 84 TRP A CE2 1 ATOM 566 C CE3 . TRP A 1 89 ? -44.906 8.429 40.972 1.00 32.72 ? 84 TRP A CE3 1 ATOM 567 C CZ2 . TRP A 1 89 ? -45.852 10.788 42.228 1.00 33.23 ? 84 TRP A CZ2 1 ATOM 568 C CZ3 . TRP A 1 89 ? -44.729 8.646 42.326 1.00 32.76 ? 84 TRP A CZ3 1 ATOM 569 C CH2 . TRP A 1 89 ? -45.201 9.815 42.942 1.00 32.94 ? 84 TRP A CH2 1 ATOM 570 N N . SER A 1 90 ? -45.158 10.027 35.136 1.00 32.63 ? 85 SER A N 1 ATOM 571 C CA . SER A 1 90 ? -45.328 11.143 34.216 1.00 31.56 ? 85 SER A CA 1 ATOM 572 C C . SER A 1 90 ? -46.621 11.883 34.502 1.00 30.89 ? 85 SER A C 1 ATOM 573 O O . SER A 1 90 ? -46.694 13.104 34.360 1.00 31.10 ? 85 SER A O 1 ATOM 574 C CB . SER A 1 90 ? -45.347 10.627 32.784 1.00 31.62 ? 85 SER A CB 1 ATOM 575 O OG . SER A 1 90 ? -46.238 9.534 32.658 1.00 31.36 ? 85 SER A OG 1 ATOM 576 N N . TYR A 1 91 ? -47.641 11.129 34.894 1.00 29.84 ? 86 TYR A N 1 ATOM 577 C CA . TYR A 1 91 ? -48.916 11.690 35.308 1.00 28.77 ? 86 TYR A CA 1 ATOM 578 C C . TYR A 1 91 ? -49.629 10.761 36.297 1.00 28.51 ? 86 TYR A C 1 ATOM 579 O O . TYR A 1 91 ? -49.206 9.619 36.523 1.00 28.31 ? 86 TYR A O 1 ATOM 580 C CB . TYR A 1 91 ? -49.789 12.010 34.086 1.00 28.51 ? 86 TYR A CB 1 ATOM 581 C CG . TYR A 1 91 ? -50.218 10.814 33.250 1.00 27.37 ? 86 TYR A CG 1 ATOM 582 C CD1 . TYR A 1 91 ? -51.536 10.377 33.262 1.00 26.25 ? 86 TYR A CD1 1 ATOM 583 C CD2 . TYR A 1 91 ? -49.313 10.137 32.430 1.00 26.60 ? 86 TYR A CD2 1 ATOM 584 C CE1 . TYR A 1 91 ? -51.942 9.290 32.492 1.00 25.29 ? 86 TYR A CE1 1 ATOM 585 C CE2 . TYR A 1 91 ? -49.712 9.046 31.659 1.00 25.32 ? 86 TYR A CE2 1 ATOM 586 C CZ . TYR A 1 91 ? -51.030 8.633 31.697 1.00 24.75 ? 86 TYR A CZ 1 ATOM 587 O OH . TYR A 1 91 ? -51.446 7.559 30.949 1.00 23.61 ? 86 TYR A OH 1 ATOM 588 N N . ILE A 1 92 ? -50.704 11.268 36.889 1.00 28.08 ? 87 ILE A N 1 ATOM 589 C CA . ILE A 1 92 ? -51.465 10.544 37.897 1.00 27.82 ? 87 ILE A CA 1 ATOM 590 C C . ILE A 1 92 ? -52.877 10.319 37.383 1.00 27.70 ? 87 ILE A C 1 ATOM 591 O O . ILE A 1 92 ? -53.423 11.174 36.687 1.00 27.87 ? 87 ILE A O 1 ATOM 592 C CB . ILE A 1 92 ? -51.494 11.324 39.239 1.00 27.79 ? 87 ILE A CB 1 ATOM 593 C CG1 . ILE A 1 92 ? -50.151 11.192 39.966 1.00 27.76 ? 87 ILE A CG1 1 ATOM 594 C CG2 . ILE A 1 92 ? -52.617 10.838 40.143 1.00 27.98 ? 87 ILE A CG2 1 ATOM 595 C CD1 . ILE A 1 92 ? -49.916 12.272 41.001 1.00 27.60 ? 87 ILE A CD1 1 ATOM 596 N N . VAL A 1 93 ? -53.458 9.163 37.703 1.00 27.53 ? 88 VAL A N 1 ATOM 597 C CA . VAL A 1 93 ? -54.836 8.878 37.322 1.00 27.32 ? 88 VAL A CA 1 ATOM 598 C C . VAL A 1 93 ? -55.660 8.489 38.534 1.00 27.45 ? 88 VAL A C 1 ATOM 599 O O . VAL A 1 93 ? -55.419 7.456 39.148 1.00 27.51 ? 88 VAL A O 1 ATOM 600 C CB . VAL A 1 93 ? -54.955 7.768 36.250 1.00 27.21 ? 88 VAL A CB 1 ATOM 601 C CG1 . VAL A 1 93 ? -56.341 7.801 35.608 1.00 26.66 ? 88 VAL A CG1 1 ATOM 602 C CG2 . VAL A 1 93 ? -53.887 7.921 35.190 1.00 26.80 ? 88 VAL A CG2 1 ATOM 603 N N . GLU A 1 94 ? -56.614 9.346 38.877 1.00 27.64 ? 89 GLU A N 1 ATOM 604 C CA . GLU A 1 94 ? -57.640 9.042 39.858 1.00 27.85 ? 89 GLU A CA 1 ATOM 605 C C . GLU A 1 94 ? -58.902 8.767 39.083 1.00 28.17 ? 89 GLU A C 1 ATOM 606 O O . GLU A 1 94 ? -59.036 9.218 37.951 1.00 28.25 ? 89 GLU A O 1 ATOM 607 C CB . GLU A 1 94 ? -57.925 10.254 40.737 1.00 27.83 ? 89 GLU A CB 1 ATOM 608 C CG . GLU A 1 94 ? -56.842 10.666 41.692 1.00 27.78 ? 89 GLU A CG 1 ATOM 609 C CD . GLU A 1 94 ? -57.265 11.861 42.520 1.00 28.51 ? 89 GLU A CD 1 ATOM 610 O OE1 . GLU A 1 94 ? -57.921 12.777 41.969 1.00 28.37 ? 89 GLU A OE1 1 ATOM 611 O OE2 . GLU A 1 94 ? -56.942 11.884 43.726 1.00 29.29 ? 89 GLU A OE2 1 ATOM 612 N N . LYS A 1 95 ? -59.839 8.055 39.695 1.00 28.64 ? 90 LYS A N 1 ATOM 613 C CA . LYS A 1 95 ? -61.192 8.002 39.176 1.00 29.14 ? 90 LYS A CA 1 ATOM 614 C C . LYS A 1 95 ? -61.877 9.304 39.590 1.00 29.47 ? 90 LYS A C 1 ATOM 615 O O . LYS A 1 95 ? -61.379 10.008 40.470 1.00 29.40 ? 90 LYS A O 1 ATOM 616 C CB . LYS A 1 95 ? -61.917 6.773 39.718 1.00 29.36 ? 90 LYS A CB 1 ATOM 617 C CG . LYS A 1 95 ? -61.327 5.448 39.215 1.00 30.21 ? 90 LYS A CG 1 ATOM 618 C CD . LYS A 1 95 ? -62.044 4.219 39.791 1.00 31.70 ? 90 LYS A CD 1 ATOM 619 C CE . LYS A 1 95 ? -61.952 2.998 38.844 1.00 33.02 ? 90 LYS A CE 1 ATOM 620 N NZ . LYS A 1 95 ? -60.560 2.499 38.560 1.00 32.48 ? 90 LYS A NZ 1 ATOM 621 N N . ALA A 1 96 ? -62.996 9.638 38.948 1.00 30.07 ? 91 ALA A N 1 ATOM 622 C CA . ALA A 1 96 ? -63.706 10.902 39.218 1.00 30.48 ? 91 ALA A CA 1 ATOM 623 C C . ALA A 1 96 ? -64.135 11.068 40.686 1.00 30.86 ? 91 ALA A C 1 ATOM 624 O O . ALA A 1 96 ? -64.015 12.157 41.263 1.00 30.92 ? 91 ALA A O 1 ATOM 625 C CB . ALA A 1 96 ? -64.899 11.056 38.285 1.00 30.43 ? 91 ALA A CB 1 ATOM 626 N N . SER A 1 97 ? -64.636 9.983 41.275 1.00 31.27 ? 92 SER A N 1 ATOM 627 C CA . SER A 1 97 ? -64.932 9.932 42.705 1.00 31.71 ? 92 SER A CA 1 ATOM 628 C C . SER A 1 97 ? -64.296 8.685 43.314 1.00 31.57 ? 92 SER A C 1 ATOM 629 O O . SER A 1 97 ? -64.909 7.612 43.296 1.00 31.98 ? 92 SER A O 1 ATOM 630 C CB . SER A 1 97 ? -66.443 9.938 42.951 1.00 31.73 ? 92 SER A CB 1 ATOM 631 O OG . SER A 1 97 ? -67.012 11.151 42.485 1.00 33.06 ? 92 SER A OG 1 ATOM 632 N N . PRO A 1 98 ? -63.061 8.817 43.850 1.00 31.24 ? 93 PRO A N 1 ATOM 633 C CA . PRO A 1 98 ? -62.373 7.642 44.393 1.00 30.81 ? 93 PRO A CA 1 ATOM 634 C C . PRO A 1 98 ? -63.134 7.125 45.599 1.00 30.35 ? 93 PRO A C 1 ATOM 635 O O . PRO A 1 98 ? -63.532 7.922 46.450 1.00 30.42 ? 93 PRO A O 1 ATOM 636 C CB . PRO A 1 98 ? -61.002 8.187 44.817 1.00 30.79 ? 93 PRO A CB 1 ATOM 637 C CG . PRO A 1 98 ? -60.895 9.548 44.197 1.00 31.07 ? 93 PRO A CG 1 ATOM 638 C CD . PRO A 1 98 ? -62.295 10.053 44.081 1.00 31.17 ? 93 PRO A CD 1 ATOM 639 N N . ALA A 1 99 ? -63.348 5.810 45.649 1.00 29.74 ? 94 ALA A N 1 ATOM 640 C CA . ALA A 1 99 ? -64.109 5.158 46.724 1.00 29.07 ? 94 ALA A CA 1 ATOM 641 C C . ALA A 1 99 ? -63.688 5.591 48.123 1.00 28.59 ? 94 ALA A C 1 ATOM 642 O O . ALA A 1 99 ? -64.533 5.853 48.976 1.00 28.47 ? 94 ALA A O 1 ATOM 643 C CB . ALA A 1 99 ? -64.017 3.647 46.603 1.00 29.15 ? 94 ALA A CB 1 ATOM 644 N N . ASN A 1 100 ? -62.386 5.662 48.362 1.00 27.97 ? 95 ASN A N 1 ATOM 645 C CA . ASN A 1 100 ? -61.912 6.078 49.668 1.00 27.68 ? 95 ASN A CA 1 ATOM 646 C C . ASN A 1 100 ? -60.786 7.101 49.629 1.00 27.26 ? 95 ASN A C 1 ATOM 647 O O . ASN A 1 100 ? -59.774 6.924 48.944 1.00 27.24 ? 95 ASN A O 1 ATOM 648 C CB . ASN A 1 100 ? -61.579 4.872 50.567 1.00 28.03 ? 95 ASN A CB 1 ATOM 649 C CG . ASN A 1 100 ? -61.286 3.600 49.778 1.00 28.39 ? 95 ASN A CG 1 ATOM 650 O OD1 . ASN A 1 100 ? -60.426 3.580 48.893 1.00 29.26 ? 95 ASN A OD1 1 ATOM 651 N ND2 . ASN A 1 100 ? -61.997 2.527 50.111 1.00 28.18 ? 95 ASN A ND2 1 ATOM 652 N N . ASP A 1 101 ? -61.002 8.169 50.399 1.00 26.61 ? 96 ASP A N 1 ATOM 653 C CA . ASP A 1 101 ? -60.188 9.383 50.402 1.00 25.57 ? 96 ASP A CA 1 ATOM 654 C C . ASP A 1 101 ? -59.645 9.569 51.814 1.00 24.82 ? 96 ASP A C 1 ATOM 655 O O . ASP A 1 101 ? -58.588 9.036 52.146 1.00 24.50 ? 96 ASP A O 1 ATOM 656 C CB . ASP A 1 101 ? -61.064 10.576 49.951 1.00 25.61 ? 96 ASP A CB 1 ATOM 657 C CG . ASP A 1 101 ? -60.332 11.919 49.965 1.00 25.47 ? 96 ASP A CG 1 ATOM 658 O OD1 . ASP A 1 101 ? -59.118 11.998 49.689 1.00 25.14 ? 96 ASP A OD1 1 ATOM 659 O OD2 . ASP A 1 101 ? -61.001 12.927 50.241 1.00 26.28 ? 96 ASP A OD2 1 ATOM 660 N N . LEU A 1 102 A -60.388 10.301 52.644 1.00 24.09 ? 96 LEU A N 1 ATOM 661 C CA . LEU A 1 102 A -60.021 10.531 54.038 1.00 23.33 ? 96 LEU A CA 1 ATOM 662 C C . LEU A 1 102 A -60.872 9.655 54.947 1.00 23.08 ? 96 LEU A C 1 ATOM 663 O O . LEU A 1 102 A -61.992 10.035 55.297 1.00 22.92 ? 96 LEU A O 1 ATOM 664 C CB . LEU A 1 102 A -60.208 12.008 54.393 1.00 23.06 ? 96 LEU A CB 1 ATOM 665 C CG . LEU A 1 102 A -58.998 12.944 54.425 1.00 22.55 ? 96 LEU A CG 1 ATOM 666 C CD1 . LEU A 1 102 A -57.974 12.628 53.350 1.00 22.42 ? 96 LEU A CD1 1 ATOM 667 C CD2 . LEU A 1 102 A -59.459 14.386 54.311 1.00 22.37 ? 96 LEU A CD2 1 ATOM 668 N N . CYS A 1 103 ? -60.347 8.486 55.324 1.00 22.74 ? 97 CYS A N 1 ATOM 669 C CA . CYS A 1 103 ? -61.131 7.520 56.090 1.00 22.42 ? 97 CYS A CA 1 ATOM 670 C C . CYS A 1 103 ? -61.676 8.157 57.360 1.00 22.25 ? 97 CYS A C 1 ATOM 671 O O . CYS A 1 103 ? -62.876 8.104 57.600 1.00 22.33 ? 97 CYS A O 1 ATOM 672 C CB . CYS A 1 103 ? -60.360 6.225 56.370 1.00 22.22 ? 97 CYS A CB 1 ATOM 673 S SG . CYS A 1 103 ? -58.863 6.397 57.362 1.00 23.30 ? 97 CYS A SG 1 ATOM 674 N N . TYR A 1 104 ? -60.809 8.788 58.151 1.00 22.06 ? 98 TYR A N 1 ATOM 675 C CA . TYR A 1 104 ? -61.272 9.643 59.236 1.00 22.02 ? 98 TYR A CA 1 ATOM 676 C C . TYR A 1 104 ? -61.611 11.005 58.638 1.00 21.92 ? 98 TYR A C 1 ATOM 677 O O . TYR A 1 104 ? -60.747 11.640 58.023 1.00 21.82 ? 98 TYR A O 1 ATOM 678 C CB . TYR A 1 104 ? -60.210 9.798 60.323 1.00 22.18 ? 98 TYR A CB 1 ATOM 679 C CG . TYR A 1 104 ? -60.759 10.246 61.667 1.00 22.59 ? 98 TYR A CG 1 ATOM 680 C CD1 . TYR A 1 104 ? -60.743 9.391 62.770 1.00 23.30 ? 98 TYR A CD1 1 ATOM 681 C CD2 . TYR A 1 104 ? -61.301 11.512 61.832 1.00 23.00 ? 98 TYR A CD2 1 ATOM 682 C CE1 . TYR A 1 104 ? -61.246 9.791 64.000 1.00 23.86 ? 98 TYR A CE1 1 ATOM 683 C CE2 . TYR A 1 104 ? -61.804 11.921 63.051 1.00 24.21 ? 98 TYR A CE2 1 ATOM 684 C CZ . TYR A 1 104 ? -61.777 11.060 64.133 1.00 24.58 ? 98 TYR A CZ 1 ATOM 685 O OH . TYR A 1 104 ? -62.287 11.484 65.344 1.00 25.66 ? 98 TYR A OH 1 ATOM 686 N N . PRO A 1 105 ? -62.869 11.461 58.806 1.00 21.88 ? 99 PRO A N 1 ATOM 687 C CA . PRO A 1 105 ? -63.314 12.701 58.176 1.00 21.92 ? 99 PRO A CA 1 ATOM 688 C C . PRO A 1 105 ? -62.425 13.879 58.546 1.00 21.97 ? 99 PRO A C 1 ATOM 689 O O . PRO A 1 105 ? -61.903 13.949 59.662 1.00 22.13 ? 99 PRO A O 1 ATOM 690 C CB . PRO A 1 105 ? -64.727 12.899 58.741 1.00 21.78 ? 99 PRO A CB 1 ATOM 691 C CG . PRO A 1 105 ? -64.774 12.076 59.960 1.00 21.68 ? 99 PRO A CG 1 ATOM 692 C CD . PRO A 1 105 ? -63.933 10.883 59.640 1.00 21.93 ? 99 PRO A CD 1 ATOM 693 N N . GLY A 1 106 ? -62.244 14.791 57.606 1.00 21.91 ? 100 GLY A N 1 ATOM 694 C CA . GLY A 1 106 ? -61.413 15.944 57.851 1.00 22.04 ? 100 GLY A CA 1 ATOM 695 C C . GLY A 1 106 ? -61.117 16.737 56.603 1.00 22.24 ? 100 GLY A C 1 ATOM 696 O O . GLY A 1 106 ? -61.996 16.975 55.769 1.00 22.40 ? 100 GLY A O 1 ATOM 697 N N . ASP A 1 107 ? -59.859 17.134 56.480 1.00 22.31 ? 101 ASP A N 1 ATOM 698 C CA . ASP A 1 107 ? -59.453 18.100 55.484 1.00 22.31 ? 101 ASP A CA 1 ATOM 699 C C . ASP A 1 107 ? -57.954 18.043 55.259 1.00 21.60 ? 101 ASP A C 1 ATOM 700 O O . ASP A 1 107 ? -57.194 17.651 56.139 1.00 21.62 ? 101 ASP A O 1 ATOM 701 C CB . ASP A 1 107 ? -59.847 19.504 55.944 1.00 22.73 ? 101 ASP A CB 1 ATOM 702 C CG . ASP A 1 107 ? -60.475 20.320 54.839 1.00 24.89 ? 101 ASP A CG 1 ATOM 703 O OD1 . ASP A 1 107 ? -61.564 20.880 55.086 1.00 27.41 ? 101 ASP A OD1 1 ATOM 704 O OD2 . ASP A 1 107 ? -59.898 20.395 53.721 1.00 27.61 ? 101 ASP A OD2 1 ATOM 705 N N . PHE A 1 108 ? -57.536 18.454 54.075 1.00 21.04 ? 102 PHE A N 1 ATOM 706 C CA . PHE A 1 108 ? -56.140 18.447 53.714 1.00 20.44 ? 102 PHE A CA 1 ATOM 707 C C . PHE A 1 108 ? -55.795 19.831 53.201 1.00 20.63 ? 102 PHE A C 1 ATOM 708 O O . PHE A 1 108 ? -56.381 20.308 52.224 1.00 20.84 ? 102 PHE A O 1 ATOM 709 C CB . PHE A 1 108 ? -55.918 17.411 52.627 1.00 20.14 ? 102 PHE A CB 1 ATOM 710 C CG . PHE A 1 108 ? -54.507 16.974 52.489 1.00 18.75 ? 102 PHE A CG 1 ATOM 711 C CD1 . PHE A 1 108 ? -54.149 15.678 52.794 1.00 18.18 ? 102 PHE A CD1 1 ATOM 712 C CD2 . PHE A 1 108 ? -53.539 17.844 52.034 1.00 18.09 ? 102 PHE A CD2 1 ATOM 713 C CE1 . PHE A 1 108 ? -52.852 15.259 52.658 1.00 18.07 ? 102 PHE A CE1 1 ATOM 714 C CE2 . PHE A 1 108 ? -52.239 17.435 51.899 1.00 17.87 ? 102 PHE A CE2 1 ATOM 715 C CZ . PHE A 1 108 ? -51.894 16.139 52.211 1.00 18.28 ? 102 PHE A CZ 1 ATOM 716 N N . ASN A 1 109 ? -54.847 20.476 53.864 1.00 20.69 ? 103 ASN A N 1 ATOM 717 C CA . ASN A 1 109 ? -54.496 21.855 53.553 1.00 20.87 ? 103 ASN A CA 1 ATOM 718 C C . ASN A 1 109 ? -53.679 21.984 52.286 1.00 20.81 ? 103 ASN A C 1 ATOM 719 O O . ASN A 1 109 ? -52.805 21.159 52.035 1.00 21.07 ? 103 ASN A O 1 ATOM 720 C CB . ASN A 1 109 ? -53.702 22.441 54.695 1.00 21.06 ? 103 ASN A CB 1 ATOM 721 C CG . ASN A 1 109 ? -53.950 23.894 54.862 1.00 21.80 ? 103 ASN A CG 1 ATOM 722 O OD1 . ASN A 1 109 ? -55.097 24.315 55.033 1.00 22.67 ? 103 ASN A OD1 1 ATOM 723 N ND2 . ASN A 1 109 ? -52.882 24.688 54.820 1.00 22.22 ? 103 ASN A ND2 1 ATOM 724 N N . ASP A 1 110 ? -53.941 23.029 51.504 1.00 20.66 ? 104 ASP A N 1 ATOM 725 C CA . ASP A 1 110 ? -53.261 23.224 50.212 1.00 20.57 ? 104 ASP A CA 1 ATOM 726 C C . ASP A 1 110 ? -53.155 21.915 49.453 1.00 20.31 ? 104 ASP A C 1 ATOM 727 O O . ASP A 1 110 ? -52.077 21.536 48.988 1.00 20.05 ? 104 ASP A O 1 ATOM 728 C CB . ASP A 1 110 ? -51.872 23.850 50.391 1.00 20.54 ? 104 ASP A CB 1 ATOM 729 C CG . ASP A 1 110 ? -51.941 25.297 50.812 1.00 21.21 ? 104 ASP A CG 1 ATOM 730 O OD1 . ASP A 1 110 ? -52.951 25.964 50.482 1.00 21.73 ? 104 ASP A OD1 1 ATOM 731 O OD2 . ASP A 1 110 ? -50.991 25.768 51.478 1.00 21.88 ? 104 ASP A OD2 1 ATOM 732 N N . TYR A 1 111 ? -54.291 21.230 49.353 1.00 20.29 ? 105 TYR A N 1 ATOM 733 C CA . TYR A 1 111 ? -54.367 19.922 48.720 1.00 20.20 ? 105 TYR A CA 1 ATOM 734 C C . TYR A 1 111 ? -54.209 19.977 47.209 1.00 20.46 ? 105 TYR A C 1 ATOM 735 O O . TYR A 1 111 ? -53.500 19.159 46.633 1.00 20.41 ? 105 TYR A O 1 ATOM 736 C CB . TYR A 1 111 ? -55.680 19.239 49.072 1.00 19.93 ? 105 TYR A CB 1 ATOM 737 C CG . TYR A 1 111 ? -55.808 17.840 48.528 1.00 19.05 ? 105 TYR A CG 1 ATOM 738 C CD1 . TYR A 1 111 ? -54.763 16.925 48.649 1.00 18.19 ? 105 TYR A CD1 1 ATOM 739 C CD2 . TYR A 1 111 ? -56.983 17.419 47.915 1.00 18.42 ? 105 TYR A CD2 1 ATOM 740 C CE1 . TYR A 1 111 ? -54.882 15.635 48.159 1.00 17.66 ? 105 TYR A CE1 1 ATOM 741 C CE2 . TYR A 1 111 ? -57.113 16.126 47.424 1.00 17.78 ? 105 TYR A CE2 1 ATOM 742 C CZ . TYR A 1 111 ? -56.060 15.240 47.552 1.00 17.45 ? 105 TYR A CZ 1 ATOM 743 O OH . TYR A 1 111 ? -56.175 13.959 47.071 1.00 17.09 ? 105 TYR A OH 1 ATOM 744 N N . GLU A 1 112 ? -54.864 20.940 46.570 1.00 20.87 ? 106 GLU A N 1 ATOM 745 C CA . GLU A 1 112 ? -54.807 21.038 45.114 1.00 21.47 ? 106 GLU A CA 1 ATOM 746 C C . GLU A 1 112 ? -53.399 21.401 44.629 1.00 20.98 ? 106 GLU A C 1 ATOM 747 O O . GLU A 1 112 ? -52.960 20.942 43.572 1.00 20.84 ? 106 GLU A O 1 ATOM 748 C CB . GLU A 1 112 ? -55.841 22.035 44.599 1.00 21.91 ? 106 GLU A CB 1 ATOM 749 C CG . GLU A 1 112 ? -57.153 22.039 45.387 1.00 25.00 ? 106 GLU A CG 1 ATOM 750 C CD . GLU A 1 112 ? -58.020 20.801 45.132 1.00 29.16 ? 106 GLU A CD 1 ATOM 751 O OE1 . GLU A 1 112 ? -57.862 20.131 44.072 1.00 29.80 ? 106 GLU A OE1 1 ATOM 752 O OE2 . GLU A 1 112 ? -58.871 20.503 46.008 1.00 31.18 ? 106 GLU A OE2 1 ATOM 753 N N . GLU A 1 113 ? -52.702 22.222 45.413 1.00 20.52 ? 107 GLU A N 1 ATOM 754 C CA . GLU A 1 113 ? -51.304 22.556 45.142 1.00 20.01 ? 107 GLU A CA 1 ATOM 755 C C . GLU A 1 113 ? -50.379 21.347 45.282 1.00 19.91 ? 107 GLU A C 1 ATOM 756 O O . GLU A 1 113 ? -49.459 21.161 44.473 1.00 20.01 ? 107 GLU A O 1 ATOM 757 C CB . GLU A 1 113 ? -50.831 23.690 46.052 1.00 19.76 ? 107 GLU A CB 1 ATOM 758 C CG . GLU A 1 113 ? -51.285 25.066 45.599 1.00 19.17 ? 107 GLU A CG 1 ATOM 759 C CD . GLU A 1 113 ? -50.563 25.542 44.352 1.00 18.23 ? 107 GLU A CD 1 ATOM 760 O OE1 . GLU A 1 113 ? -49.362 25.249 44.211 1.00 17.65 ? 107 GLU A OE1 1 ATOM 761 O OE2 . GLU A 1 113 ? -51.194 26.211 43.510 1.00 18.87 ? 107 GLU A OE2 1 ATOM 762 N N . LEU A 1 114 ? -50.629 20.529 46.303 1.00 19.60 ? 108 LEU A N 1 ATOM 763 C CA . LEU A 1 114 ? -49.840 19.328 46.526 1.00 19.21 ? 108 LEU A CA 1 ATOM 764 C C . LEU A 1 114 ? -50.069 18.330 45.413 1.00 19.31 ? 108 LEU A C 1 ATOM 765 O O . LEU A 1 114 ? -49.119 17.709 44.939 1.00 19.47 ? 108 LEU A O 1 ATOM 766 C CB . LEU A 1 114 ? -50.161 18.693 47.874 1.00 18.92 ? 108 LEU A CB 1 ATOM 767 C CG . LEU A 1 114 ? -49.343 17.440 48.189 1.00 18.50 ? 108 LEU A CG 1 ATOM 768 C CD1 . LEU A 1 114 ? -47.854 17.736 48.255 1.00 17.96 ? 108 LEU A CD1 1 ATOM 769 C CD2 . LEU A 1 114 ? -49.818 16.820 49.481 1.00 18.46 ? 108 LEU A CD2 1 ATOM 770 N N . LYS A 1 115 ? -51.327 18.184 45.000 1.00 19.43 ? 109 LYS A N 1 ATOM 771 C CA . LYS A 1 115 ? -51.675 17.328 43.871 1.00 19.65 ? 109 LYS A CA 1 ATOM 772 C C . LYS A 1 115 ? -50.895 17.747 42.635 1.00 19.80 ? 109 LYS A C 1 ATOM 773 O O . LYS A 1 115 ? -50.224 16.924 42.020 1.00 19.91 ? 109 LYS A O 1 ATOM 774 C CB . LYS A 1 115 ? -53.177 17.366 43.584 1.00 19.71 ? 109 LYS A CB 1 ATOM 775 C CG . LYS A 1 115 ? -54.008 16.528 44.527 1.00 20.06 ? 109 LYS A CG 1 ATOM 776 C CD . LYS A 1 115 ? -55.129 15.822 43.792 1.00 21.50 ? 109 LYS A CD 1 ATOM 777 C CE . LYS A 1 115 ? -56.419 16.623 43.788 1.00 23.35 ? 109 LYS A CE 1 ATOM 778 N NZ . LYS A 1 115 ? -57.503 15.857 43.084 1.00 24.61 ? 109 LYS A NZ 1 ATOM 779 N N . HIS A 1 116 ? -50.968 19.033 42.301 1.00 20.09 ? 110 HIS A N 1 ATOM 780 C CA . HIS A 1 116 ? -50.245 19.603 41.166 1.00 20.35 ? 110 HIS A CA 1 ATOM 781 C C . HIS A 1 116 ? -48.737 19.398 41.270 1.00 20.77 ? 110 HIS A C 1 ATOM 782 O O . HIS A 1 116 ? -48.078 19.096 40.278 1.00 20.75 ? 110 HIS A O 1 ATOM 783 C CB . HIS A 1 116 ? -50.551 21.095 41.035 1.00 20.34 ? 110 HIS A CB 1 ATOM 784 C CG . HIS A 1 116 ? -49.858 21.752 39.885 1.00 19.85 ? 110 HIS A CG 1 ATOM 785 N ND1 . HIS A 1 116 ? -50.348 21.707 38.599 1.00 19.26 ? 110 HIS A ND1 1 ATOM 786 C CD2 . HIS A 1 116 ? -48.706 22.459 39.825 1.00 19.73 ? 110 HIS A CD2 1 ATOM 787 C CE1 . HIS A 1 116 ? -49.525 22.356 37.796 1.00 20.03 ? 110 HIS A CE1 1 ATOM 788 N NE2 . HIS A 1 116 ? -48.521 22.824 38.516 1.00 19.65 ? 110 HIS A NE2 1 ATOM 789 N N . LEU A 1 117 ? -48.194 19.579 42.467 1.00 21.38 ? 111 LEU A N 1 ATOM 790 C CA . LEU A 1 117 ? -46.785 19.321 42.703 1.00 22.05 ? 111 LEU A CA 1 ATOM 791 C C . LEU A 1 117 ? -46.452 17.876 42.367 1.00 22.60 ? 111 LEU A C 1 ATOM 792 O O . LEU A 1 117 ? -45.483 17.595 41.655 1.00 22.76 ? 111 LEU A O 1 ATOM 793 C CB . LEU A 1 117 ? -46.435 19.602 44.159 1.00 22.10 ? 111 LEU A CB 1 ATOM 794 C CG . LEU A 1 117 ? -44.986 19.366 44.577 1.00 22.08 ? 111 LEU A CG 1 ATOM 795 C CD1 . LEU A 1 117 ? -44.078 20.312 43.819 1.00 23.36 ? 111 LEU A CD1 1 ATOM 796 C CD2 . LEU A 1 117 ? -44.838 19.583 46.059 1.00 21.53 ? 111 LEU A CD2 1 ATOM 797 N N . LEU A 1 118 ? -47.276 16.964 42.869 1.00 23.18 ? 112 LEU A N 1 ATOM 798 C CA . LEU A 1 118 ? -47.029 15.538 42.703 1.00 23.78 ? 112 LEU A CA 1 ATOM 799 C C . LEU A 1 118 ? -47.378 15.002 41.323 1.00 24.22 ? 112 LEU A C 1 ATOM 800 O O . LEU A 1 118 ? -47.102 13.842 41.028 1.00 24.39 ? 112 LEU A O 1 ATOM 801 C CB . LEU A 1 118 ? -47.754 14.738 43.786 1.00 23.65 ? 112 LEU A CB 1 ATOM 802 C CG . LEU A 1 118 ? -47.144 14.859 45.183 1.00 23.44 ? 112 LEU A CG 1 ATOM 803 C CD1 . LEU A 1 118 ? -47.955 14.065 46.178 1.00 22.93 ? 112 LEU A CD1 1 ATOM 804 C CD2 . LEU A 1 118 ? -45.693 14.400 45.185 1.00 23.11 ? 112 LEU A CD2 1 ATOM 805 N N . SER A 1 119 ? -47.961 15.851 40.482 1.00 24.83 ? 113 SER A N 1 ATOM 806 C CA . SER A 1 119 ? -48.419 15.447 39.155 1.00 25.60 ? 113 SER A CA 1 ATOM 807 C C . SER A 1 119 ? -47.358 14.674 38.368 1.00 26.25 ? 113 SER A C 1 ATOM 808 O O . SER A 1 119 ? -47.658 13.643 37.759 1.00 26.32 ? 113 SER A O 1 ATOM 809 C CB . SER A 1 119 ? -48.881 16.664 38.356 1.00 25.54 ? 113 SER A CB 1 ATOM 810 O OG . SER A 1 119 ? -47.800 17.549 38.097 1.00 25.84 ? 113 SER A OG 1 ATOM 811 N N . ARG A 1 120 ? -46.124 15.176 38.388 1.00 26.93 ? 114 ARG A N 1 ATOM 812 C CA . ARG A 1 120 ? -45.022 14.529 37.691 1.00 27.67 ? 114 ARG A CA 1 ATOM 813 C C . ARG A 1 120 ? -43.759 14.483 38.550 1.00 27.88 ? 114 ARG A C 1 ATOM 814 O O . ARG A 1 120 ? -43.087 15.496 38.757 1.00 27.94 ? 114 ARG A O 1 ATOM 815 C CB . ARG A 1 120 ? -44.745 15.220 36.357 1.00 27.79 ? 114 ARG A CB 1 ATOM 816 C CG . ARG A 1 120 ? -43.427 14.819 35.740 1.00 29.39 ? 114 ARG A CG 1 ATOM 817 C CD . ARG A 1 120 ? -43.086 15.658 34.554 1.00 31.80 ? 114 ARG A CD 1 ATOM 818 N NE . ARG A 1 120 ? -43.576 15.047 33.328 1.00 34.20 ? 114 ARG A NE 1 ATOM 819 C CZ . ARG A 1 120 ? -43.312 15.511 32.112 1.00 36.29 ? 114 ARG A CZ 1 ATOM 820 N NH1 . ARG A 1 120 ? -42.560 16.602 31.953 1.00 36.52 ? 114 ARG A NH1 1 ATOM 821 N NH2 . ARG A 1 120 ? -43.804 14.879 31.053 1.00 37.38 ? 114 ARG A NH2 1 ATOM 822 N N . ILE A 1 121 ? -43.433 13.292 39.029 1.00 28.26 ? 115 ILE A N 1 ATOM 823 C CA . ILE A 1 121 ? -42.313 13.129 39.933 1.00 28.79 ? 115 ILE A CA 1 ATOM 824 C C . ILE A 1 121 ? -41.236 12.226 39.344 1.00 29.20 ? 115 ILE A C 1 ATOM 825 O O . ILE A 1 121 ? -41.500 11.090 38.937 1.00 29.05 ? 115 ILE A O 1 ATOM 826 C CB . ILE A 1 121 ? -42.789 12.644 41.329 1.00 28.85 ? 115 ILE A CB 1 ATOM 827 C CG1 . ILE A 1 121 ? -43.540 13.766 42.062 1.00 28.93 ? 115 ILE A CG1 1 ATOM 828 C CG2 . ILE A 1 121 ? -41.629 12.125 42.177 1.00 28.89 ? 115 ILE A CG2 1 ATOM 829 C CD1 . ILE A 1 121 ? -42.792 15.089 42.154 1.00 28.82 ? 115 ILE A CD1 1 ATOM 830 N N . ASN A 1 122 ? -40.020 12.767 39.304 1.00 29.75 ? 116 ASN A N 1 ATOM 831 C CA . ASN A 1 122 ? -38.861 12.079 38.762 1.00 30.23 ? 116 ASN A CA 1 ATOM 832 C C . ASN A 1 122 ? -38.330 10.978 39.688 1.00 30.44 ? 116 ASN A C 1 ATOM 833 O O . ASN A 1 122 ? -37.985 9.885 39.223 1.00 30.69 ? 116 ASN A O 1 ATOM 834 C CB . ASN A 1 122 ? -37.764 13.086 38.421 1.00 30.32 ? 116 ASN A CB 1 ATOM 835 C CG . ASN A 1 122 ? -36.484 12.420 37.986 1.00 31.02 ? 116 ASN A CG 1 ATOM 836 O OD1 . ASN A 1 122 ? -35.478 12.470 38.693 1.00 32.25 ? 116 ASN A OD1 1 ATOM 837 N ND2 . ASN A 1 122 ? -36.520 11.763 36.830 1.00 31.62 ? 116 ASN A ND2 1 ATOM 838 N N . HIS A 1 123 ? -38.254 11.271 40.988 1.00 30.44 ? 117 HIS A N 1 ATOM 839 C CA . HIS A 1 123 ? -37.941 10.249 41.995 1.00 30.28 ? 117 HIS A CA 1 ATOM 840 C C . HIS A 1 123 ? -38.770 10.393 43.282 1.00 29.74 ? 117 HIS A C 1 ATOM 841 O O . HIS A 1 123 ? -39.027 11.507 43.752 1.00 29.98 ? 117 HIS A O 1 ATOM 842 C CB . HIS A 1 123 ? -36.441 10.201 42.311 1.00 30.54 ? 117 HIS A CB 1 ATOM 843 C CG . HIS A 1 123 ? -36.063 9.098 43.253 1.00 31.68 ? 117 HIS A CG 1 ATOM 844 N ND1 . HIS A 1 123 ? -35.504 9.333 44.491 1.00 32.42 ? 117 HIS A ND1 1 ATOM 845 C CD2 . HIS A 1 123 ? -36.192 7.752 43.149 1.00 32.31 ? 117 HIS A CD2 1 ATOM 846 C CE1 . HIS A 1 123 ? -35.290 8.180 45.103 1.00 32.53 ? 117 HIS A CE1 1 ATOM 847 N NE2 . HIS A 1 123 ? -35.702 7.206 44.311 1.00 32.67 ? 117 HIS A NE2 1 ATOM 848 N N . PHE A 1 124 ? -39.164 9.256 43.854 1.00 28.88 ? 118 PHE A N 1 ATOM 849 C CA . PHE A 1 124 ? -40.098 9.224 44.970 1.00 27.94 ? 118 PHE A CA 1 ATOM 850 C C . PHE A 1 124 ? -39.861 7.990 45.823 1.00 27.56 ? 118 PHE A C 1 ATOM 851 O O . PHE A 1 124 ? -40.098 6.871 45.373 1.00 27.84 ? 118 PHE A O 1 ATOM 852 C CB . PHE A 1 124 ? -41.525 9.203 44.423 1.00 27.77 ? 118 PHE A CB 1 ATOM 853 C CG . PHE A 1 124 ? -42.569 9.579 45.423 1.00 26.86 ? 118 PHE A CG 1 ATOM 854 C CD1 . PHE A 1 124 ? -42.829 10.913 45.703 1.00 25.96 ? 118 PHE A CD1 1 ATOM 855 C CD2 . PHE A 1 124 ? -43.313 8.602 46.066 1.00 26.27 ? 118 PHE A CD2 1 ATOM 856 C CE1 . PHE A 1 124 ? -43.800 11.270 46.618 1.00 25.24 ? 118 PHE A CE1 1 ATOM 857 C CE2 . PHE A 1 124 ? -44.295 8.947 46.982 1.00 25.69 ? 118 PHE A CE2 1 ATOM 858 C CZ . PHE A 1 124 ? -44.538 10.282 47.260 1.00 25.63 ? 118 PHE A CZ 1 ATOM 859 N N . GLU A 1 125 ? -39.399 8.187 47.053 1.00 27.02 ? 119 GLU A N 1 ATOM 860 C CA . GLU A 1 125 ? -39.114 7.061 47.941 1.00 26.54 ? 119 GLU A CA 1 ATOM 861 C C . GLU A 1 125 ? -39.518 7.316 49.383 1.00 25.94 ? 119 GLU A C 1 ATOM 862 O O . GLU A 1 125 ? -39.022 8.237 50.028 1.00 26.00 ? 119 GLU A O 1 ATOM 863 C CB . GLU A 1 125 ? -37.639 6.684 47.879 1.00 26.72 ? 119 GLU A CB 1 ATOM 864 C CG . GLU A 1 125 ? -37.289 5.445 48.673 1.00 27.77 ? 119 GLU A CG 1 ATOM 865 C CD . GLU A 1 125 ? -35.843 5.428 49.111 1.00 29.82 ? 119 GLU A CD 1 ATOM 866 O OE1 . GLU A 1 125 ? -34.985 5.986 48.391 1.00 30.65 ? 119 GLU A OE1 1 ATOM 867 O OE2 . GLU A 1 125 ? -35.561 4.857 50.185 1.00 31.36 ? 119 GLU A OE2 1 ATOM 868 N N . LYS A 1 126 ? -40.414 6.474 49.874 1.00 25.25 ? 120 LYS A N 1 ATOM 869 C CA . LYS A 1 126 ? -40.933 6.550 51.226 1.00 24.72 ? 120 LYS A CA 1 ATOM 870 C C . LYS A 1 126 ? -39.857 6.160 52.230 1.00 24.58 ? 120 LYS A C 1 ATOM 871 O O . LYS A 1 126 ? -39.226 5.115 52.090 1.00 24.51 ? 120 LYS A O 1 ATOM 872 C CB . LYS A 1 126 ? -42.113 5.596 51.325 1.00 24.56 ? 120 LYS A CB 1 ATOM 873 C CG . LYS A 1 126 ? -42.818 5.540 52.635 1.00 24.61 ? 120 LYS A CG 1 ATOM 874 C CD . LYS A 1 126 ? -44.089 4.762 52.433 1.00 25.90 ? 120 LYS A CD 1 ATOM 875 C CE . LYS A 1 126 ? -44.648 4.249 53.736 1.00 27.57 ? 120 LYS A CE 1 ATOM 876 N NZ . LYS A 1 126 ? -45.734 3.247 53.483 1.00 28.91 ? 120 LYS A NZ 1 ATOM 877 N N . ILE A 1 127 ? -39.632 7.009 53.229 1.00 24.40 ? 121 ILE A N 1 ATOM 878 C CA . ILE A 1 127 ? -38.674 6.698 54.293 1.00 24.34 ? 121 ILE A CA 1 ATOM 879 C C . ILE A 1 127 ? -39.205 7.032 55.681 1.00 24.36 ? 121 ILE A C 1 ATOM 880 O O . ILE A 1 127 ? -39.946 8.001 55.854 1.00 24.42 ? 121 ILE A O 1 ATOM 881 C CB . ILE A 1 127 ? -37.282 7.373 54.096 1.00 24.29 ? 121 ILE A CB 1 ATOM 882 C CG1 . ILE A 1 127 ? -37.368 8.894 54.212 1.00 24.34 ? 121 ILE A CG1 1 ATOM 883 C CG2 . ILE A 1 127 ? -36.641 6.946 52.784 1.00 24.42 ? 121 ILE A CG2 1 ATOM 884 C CD1 . ILE A 1 127 ? -36.044 9.542 54.563 1.00 24.81 ? 121 ILE A CD1 1 ATOM 885 N N . GLN A 1 128 ? -38.809 6.221 56.663 1.00 24.33 ? 122 GLN A N 1 ATOM 886 C CA . GLN A 1 128 ? -39.222 6.412 58.044 1.00 24.20 ? 122 GLN A CA 1 ATOM 887 C C . GLN A 1 128 ? -38.376 7.510 58.647 1.00 24.07 ? 122 GLN A C 1 ATOM 888 O O . GLN A 1 128 ? -37.157 7.447 58.569 1.00 24.13 ? 122 GLN A O 1 ATOM 889 C CB . GLN A 1 128 ? -39.045 5.119 58.837 1.00 24.21 ? 122 GLN A CB 1 ATOM 890 C CG . GLN A 1 128 ? -39.522 5.228 60.280 1.00 25.17 ? 122 GLN A CG 1 ATOM 891 C CD . GLN A 1 128 ? -39.283 3.974 61.102 1.00 25.40 ? 122 GLN A CD 1 ATOM 892 O OE1 . GLN A 1 128 ? -38.140 3.559 61.310 1.00 24.91 ? 122 GLN A OE1 1 ATOM 893 N NE2 . GLN A 1 128 ? -40.367 3.381 61.603 1.00 25.46 ? 122 GLN A NE2 1 ATOM 894 N N . ILE A 1 129 ? -39.017 8.518 59.236 1.00 24.16 ? 123 ILE A N 1 ATOM 895 C CA . ILE A 1 129 ? -38.280 9.629 59.858 1.00 24.06 ? 123 ILE A CA 1 ATOM 896 C C . ILE A 1 129 ? -38.447 9.723 61.377 1.00 24.29 ? 123 ILE A C 1 ATOM 897 O O . ILE A 1 129 ? -37.526 10.142 62.068 1.00 24.48 ? 123 ILE A O 1 ATOM 898 C CB . ILE A 1 129 ? -38.561 11.005 59.188 1.00 23.83 ? 123 ILE A CB 1 ATOM 899 C CG1 . ILE A 1 129 ? -40.033 11.403 59.302 1.00 23.03 ? 123 ILE A CG1 1 ATOM 900 C CG2 . ILE A 1 129 ? -38.123 10.991 57.733 1.00 24.13 ? 123 ILE A CG2 1 ATOM 901 C CD1 . ILE A 1 129 ? -40.253 12.903 59.297 1.00 21.34 ? 123 ILE A CD1 1 ATOM 902 N N . ILE A 1 130 ? -39.612 9.338 61.891 1.00 24.50 ? 124 ILE A N 1 ATOM 903 C CA . ILE A 1 130 ? -39.825 9.260 63.339 1.00 24.86 ? 124 ILE A CA 1 ATOM 904 C C . ILE A 1 130 ? -40.439 7.903 63.694 1.00 25.21 ? 124 ILE A C 1 ATOM 905 O O . ILE A 1 130 ? -41.619 7.671 63.433 1.00 25.40 ? 124 ILE A O 1 ATOM 906 C CB . ILE A 1 130 ? -40.735 10.400 63.872 1.00 24.81 ? 124 ILE A CB 1 ATOM 907 C CG1 . ILE A 1 130 ? -40.158 11.772 63.535 1.00 24.36 ? 124 ILE A CG1 1 ATOM 908 C CG2 . ILE A 1 130 ? -40.924 10.279 65.379 1.00 24.71 ? 124 ILE A CG2 1 ATOM 909 C CD1 . ILE A 1 130 ? -41.070 12.916 63.939 1.00 24.27 ? 124 ILE A CD1 1 ATOM 910 N N . PRO A 1 131 ? -39.644 7.002 64.296 1.00 25.58 ? 125 PRO A N 1 ATOM 911 C CA . PRO A 1 131 ? -40.143 5.644 64.536 1.00 25.86 ? 125 PRO A CA 1 ATOM 912 C C . PRO A 1 131 ? -41.241 5.615 65.584 1.00 26.03 ? 125 PRO A C 1 ATOM 913 O O . PRO A 1 131 ? -41.111 6.243 66.637 1.00 25.87 ? 125 PRO A O 1 ATOM 914 C CB . PRO A 1 131 ? -38.900 4.887 65.030 1.00 25.88 ? 125 PRO A CB 1 ATOM 915 C CG . PRO A 1 131 ? -37.729 5.745 64.606 1.00 25.86 ? 125 PRO A CG 1 ATOM 916 C CD . PRO A 1 131 ? -38.240 7.146 64.717 1.00 25.60 ? 125 PRO A CD 1 ATOM 917 N N . LYS A 1 132 A -42.317 4.892 65.280 1.00 26.37 ? 125 LYS A N 1 ATOM 918 C CA . LYS A 1 132 A -43.477 4.807 66.164 1.00 26.68 ? 125 LYS A CA 1 ATOM 919 C C . LYS A 1 132 A -43.061 4.361 67.557 1.00 27.00 ? 125 LYS A C 1 ATOM 920 O O . LYS A 1 132 A -43.648 4.776 68.555 1.00 27.10 ? 125 LYS A O 1 ATOM 921 C CB . LYS A 1 132 A -44.541 3.863 65.595 1.00 26.48 ? 125 LYS A CB 1 ATOM 922 C CG . LYS A 1 132 A -45.868 3.934 66.345 1.00 26.55 ? 125 LYS A CG 1 ATOM 923 C CD . LYS A 1 132 A -46.724 2.707 66.136 1.00 26.57 ? 125 LYS A CD 1 ATOM 924 C CE . LYS A 1 132 A -47.664 2.883 64.968 1.00 27.32 ? 125 LYS A CE 1 ATOM 925 N NZ . LYS A 1 132 A -48.279 1.582 64.597 1.00 28.80 ? 125 LYS A NZ 1 ATOM 926 N N . SER A 1 133 B -42.031 3.526 67.610 1.00 27.59 ? 125 SER A N 1 ATOM 927 C CA . SER A 1 133 B -41.490 3.041 68.870 1.00 28.37 ? 125 SER A CA 1 ATOM 928 C C . SER A 1 133 B -40.917 4.158 69.754 1.00 28.73 ? 125 SER A C 1 ATOM 929 O O . SER A 1 133 B -41.024 4.097 70.978 1.00 29.16 ? 125 SER A O 1 ATOM 930 C CB . SER A 1 133 B -40.436 1.961 68.609 1.00 28.34 ? 125 SER A CB 1 ATOM 931 O OG . SER A 1 133 B -39.591 2.323 67.532 1.00 28.82 ? 125 SER A OG 1 ATOM 932 N N . SER A 1 134 ? -40.350 5.190 69.136 1.00 28.94 ? 126 SER A N 1 ATOM 933 C CA . SER A 1 134 ? -39.637 6.238 69.868 1.00 29.11 ? 126 SER A CA 1 ATOM 934 C C . SER A 1 134 ? -40.489 7.123 70.784 1.00 29.26 ? 126 SER A C 1 ATOM 935 O O . SER A 1 134 ? -39.941 7.957 71.500 1.00 29.70 ? 126 SER A O 1 ATOM 936 C CB . SER A 1 134 ? -38.883 7.134 68.894 1.00 29.13 ? 126 SER A CB 1 ATOM 937 O OG . SER A 1 134 ? -39.793 7.991 68.232 1.00 29.16 ? 126 SER A OG 1 ATOM 938 N N . TRP A 1 135 ? -41.808 6.969 70.761 1.00 29.24 ? 127 TRP A N 1 ATOM 939 C CA . TRP A 1 135 ? -42.677 7.791 71.612 1.00 29.21 ? 127 TRP A CA 1 ATOM 940 C C . TRP A 1 135 ? -42.780 7.214 73.029 1.00 29.28 ? 127 TRP A C 1 ATOM 941 O O . TRP A 1 135 ? -43.611 6.351 73.294 1.00 29.55 ? 127 TRP A O 1 ATOM 942 C CB . TRP A 1 135 ? -44.063 7.960 70.971 1.00 29.10 ? 127 TRP A CB 1 ATOM 943 C CG . TRP A 1 135 ? -44.010 8.660 69.645 1.00 28.60 ? 127 TRP A CG 1 ATOM 944 C CD1 . TRP A 1 135 ? -44.105 8.090 68.406 1.00 28.19 ? 127 TRP A CD1 1 ATOM 945 C CD2 . TRP A 1 135 ? -43.827 10.058 69.428 1.00 28.28 ? 127 TRP A CD2 1 ATOM 946 N NE1 . TRP A 1 135 ? -44.001 9.050 67.431 1.00 27.46 ? 127 TRP A NE1 1 ATOM 947 C CE2 . TRP A 1 135 ? -43.829 10.269 68.031 1.00 27.92 ? 127 TRP A CE2 1 ATOM 948 C CE3 . TRP A 1 135 ? -43.666 11.160 70.279 1.00 28.42 ? 127 TRP A CE3 1 ATOM 949 C CZ2 . TRP A 1 135 ? -43.671 11.538 67.466 1.00 28.16 ? 127 TRP A CZ2 1 ATOM 950 C CZ3 . TRP A 1 135 ? -43.508 12.421 69.717 1.00 28.45 ? 127 TRP A CZ3 1 ATOM 951 C CH2 . TRP A 1 135 ? -43.511 12.599 68.322 1.00 28.17 ? 127 TRP A CH2 1 ATOM 952 N N . SER A 1 136 ? -41.935 7.698 73.937 1.00 29.25 ? 128 SER A N 1 ATOM 953 C CA . SER A 1 136 ? -41.812 7.098 75.274 1.00 29.17 ? 128 SER A CA 1 ATOM 954 C C . SER A 1 136 ? -42.799 7.594 76.326 1.00 29.14 ? 128 SER A C 1 ATOM 955 O O . SER A 1 136 ? -43.208 6.824 77.198 1.00 29.29 ? 128 SER A O 1 ATOM 956 C CB . SER A 1 136 ? -40.374 7.184 75.801 1.00 29.09 ? 128 SER A CB 1 ATOM 957 O OG . SER A 1 136 ? -39.615 8.144 75.090 1.00 29.38 ? 128 SER A OG 1 ATOM 958 N N . ASN A 1 137 ? -43.185 8.867 76.245 1.00 29.03 ? 129 ASN A N 1 ATOM 959 C CA . ASN A 1 137 ? -44.093 9.457 77.233 1.00 28.83 ? 129 ASN A CA 1 ATOM 960 C C . ASN A 1 137 ? -45.518 9.697 76.746 1.00 28.75 ? 129 ASN A C 1 ATOM 961 O O . ASN A 1 137 ? -46.324 10.325 77.443 1.00 28.82 ? 129 ASN A O 1 ATOM 962 C CB . ASN A 1 137 ? -43.505 10.747 77.791 1.00 28.82 ? 129 ASN A CB 1 ATOM 963 C CG . ASN A 1 137 ? -42.291 10.501 78.645 1.00 28.97 ? 129 ASN A CG 1 ATOM 964 O OD1 . ASN A 1 137 ? -41.288 9.976 78.173 1.00 29.69 ? 129 ASN A OD1 1 ATOM 965 N ND2 . ASN A 1 137 ? -42.372 10.876 79.915 1.00 29.15 ? 129 ASN A ND2 1 ATOM 966 N N . HIS A 1 138 ? -45.822 9.188 75.555 1.00 28.58 ? 130 HIS A N 1 ATOM 967 C CA . HIS A 1 138 ? -47.145 9.328 74.951 1.00 28.28 ? 130 HIS A CA 1 ATOM 968 C C . HIS A 1 138 ? -47.601 7.986 74.393 1.00 28.37 ? 130 HIS A C 1 ATOM 969 O O . HIS A 1 138 ? -46.786 7.224 73.870 1.00 28.49 ? 130 HIS A O 1 ATOM 970 C CB . HIS A 1 138 ? -47.114 10.372 73.835 1.00 28.01 ? 130 HIS A CB 1 ATOM 971 C CG . HIS A 1 138 ? -46.761 11.747 74.303 1.00 27.41 ? 130 HIS A CG 1 ATOM 972 N ND1 . HIS A 1 138 ? -45.480 12.104 74.664 1.00 27.18 ? 130 HIS A ND1 1 ATOM 973 C CD2 . HIS A 1 138 ? -47.521 12.854 74.468 1.00 27.15 ? 130 HIS A CD2 1 ATOM 974 C CE1 . HIS A 1 138 ? -45.469 13.370 75.038 1.00 27.15 ? 130 HIS A CE1 1 ATOM 975 N NE2 . HIS A 1 138 ? -46.694 13.849 74.927 1.00 26.74 ? 130 HIS A NE2 1 ATOM 976 N N . GLU A 1 139 ? -48.899 7.709 74.503 1.00 28.32 ? 131 GLU A N 1 ATOM 977 C CA . GLU A 1 139 ? -49.477 6.458 74.024 1.00 28.45 ? 131 GLU A CA 1 ATOM 978 C C . GLU A 1 139 ? -49.521 6.438 72.496 1.00 28.29 ? 131 GLU A C 1 ATOM 979 O O . GLU A 1 139 ? -50.294 7.163 71.874 1.00 28.64 ? 131 GLU A O 1 ATOM 980 C CB . GLU A 1 139 ? -50.860 6.246 74.658 1.00 28.68 ? 131 GLU A CB 1 ATOM 981 C CG . GLU A 1 139 ? -51.687 5.046 74.162 1.00 30.28 ? 131 GLU A CG 1 ATOM 982 C CD . GLU A 1 139 ? -50.861 3.801 73.860 1.00 33.01 ? 131 GLU A CD 1 ATOM 983 O OE1 . GLU A 1 139 ? -50.061 3.365 74.726 1.00 33.59 ? 131 GLU A OE1 1 ATOM 984 O OE2 . GLU A 1 139 ? -51.026 3.256 72.742 1.00 34.10 ? 131 GLU A OE2 1 ATOM 985 N N . ALA A 1 140 ? -48.691 5.593 71.896 1.00 28.05 ? 132 ALA A N 1 ATOM 986 C CA . ALA A 1 140 ? -48.452 5.652 70.453 1.00 27.82 ? 132 ALA A CA 1 ATOM 987 C C . ALA A 1 140 ? -49.282 4.692 69.611 1.00 27.61 ? 132 ALA A C 1 ATOM 988 O O . ALA A 1 140 ? -49.212 4.725 68.380 1.00 27.58 ? 132 ALA A O 1 ATOM 989 C CB . ALA A 1 140 ? -46.961 5.449 70.158 1.00 28.03 ? 132 ALA A CB 1 ATOM 990 N N . SER A 1 141 ? -50.062 3.834 70.260 1.00 27.22 ? 133 SER A N 1 ATOM 991 C CA . SER A 1 141 ? -50.693 2.728 69.545 1.00 26.83 ? 133 SER A CA 1 ATOM 992 C C . SER A 1 141 ? -52.202 2.612 69.765 1.00 26.35 ? 133 SER A C 1 ATOM 993 O O . SER A 1 141 ? -52.796 1.562 69.486 1.00 26.09 ? 133 SER A O 1 ATOM 994 C CB . SER A 1 141 ? -49.993 1.416 69.899 1.00 26.82 ? 133 SER A CB 1 ATOM 995 O OG . SER A 1 141 ? -50.157 1.134 71.276 1.00 27.28 ? 133 SER A OG 1 ATOM 996 N N . SER A 1 142 A -52.826 3.687 70.243 1.00 25.74 ? 133 SER A N 1 ATOM 997 C CA . SER A 1 142 A -54.273 3.664 70.448 1.00 25.15 ? 133 SER A CA 1 ATOM 998 C C . SER A 1 142 A -55.022 4.685 69.603 1.00 24.18 ? 133 SER A C 1 ATOM 999 O O . SER A 1 142 A -56.242 4.828 69.718 1.00 23.95 ? 133 SER A O 1 ATOM 1000 C CB . SER A 1 142 A -54.620 3.785 71.931 1.00 25.36 ? 133 SER A CB 1 ATOM 1001 O OG . SER A 1 142 A -54.286 2.581 72.605 1.00 26.78 ? 133 SER A OG 1 ATOM 1002 N N . GLY A 1 143 ? -54.285 5.371 68.737 1.00 23.30 ? 134 GLY A N 1 ATOM 1003 C CA . GLY A 1 143 ? -54.882 6.311 67.796 1.00 22.38 ? 134 GLY A CA 1 ATOM 1004 C C . GLY A 1 143 ? -55.470 5.592 66.601 1.00 21.66 ? 134 GLY A C 1 ATOM 1005 O O . GLY A 1 143 ? -54.899 5.615 65.508 1.00 21.58 ? 134 GLY A O 1 ATOM 1006 N N . VAL A 1 144 ? -56.607 4.938 66.825 1.00 20.88 ? 135 VAL A N 1 ATOM 1007 C CA . VAL A 1 144 ? -57.299 4.171 65.795 1.00 20.02 ? 135 VAL A CA 1 ATOM 1008 C C . VAL A 1 144 ? -58.791 4.499 65.806 1.00 19.74 ? 135 VAL A C 1 ATOM 1009 O O . VAL A 1 144 ? -59.302 5.068 66.771 1.00 19.55 ? 135 VAL A O 1 ATOM 1010 C CB . VAL A 1 144 ? -57.093 2.632 65.964 1.00 20.02 ? 135 VAL A CB 1 ATOM 1011 C CG1 . VAL A 1 144 ? -55.622 2.257 65.872 1.00 18.82 ? 135 VAL A CG1 1 ATOM 1012 C CG2 . VAL A 1 144 ? -57.711 2.127 67.262 1.00 19.73 ? 135 VAL A CG2 1 ATOM 1013 N N . SER A 1 145 ? -59.486 4.143 64.733 1.00 19.38 ? 136 SER A N 1 ATOM 1014 C CA . SER A 1 145 ? -60.917 4.402 64.648 1.00 19.42 ? 136 SER A CA 1 ATOM 1015 C C . SER A 1 145 ? -61.595 3.403 63.737 1.00 19.32 ? 136 SER A C 1 ATOM 1016 O O . SER A 1 145 ? -60.968 2.881 62.820 1.00 19.57 ? 136 SER A O 1 ATOM 1017 C CB . SER A 1 145 ? -61.182 5.821 64.137 1.00 19.51 ? 136 SER A CB 1 ATOM 1018 O OG . SER A 1 145 ? -62.558 6.015 63.843 1.00 19.46 ? 136 SER A OG 1 ATOM 1019 N N . SER A 1 146 ? -62.878 3.153 63.985 1.00 19.15 ? 137 SER A N 1 ATOM 1020 C CA . SER A 1 146 ? -63.662 2.278 63.127 1.00 19.25 ? 137 SER A CA 1 ATOM 1021 C C . SER A 1 146 ? -63.934 2.912 61.767 1.00 19.42 ? 137 SER A C 1 ATOM 1022 O O . SER A 1 146 ? -64.223 2.206 60.799 1.00 19.59 ? 137 SER A O 1 ATOM 1023 C CB . SER A 1 146 ? -64.963 1.836 63.800 1.00 19.11 ? 137 SER A CB 1 ATOM 1024 O OG . SER A 1 146 ? -65.751 2.941 64.175 1.00 18.92 ? 137 SER A OG 1 ATOM 1025 N N . ALA A 1 147 ? -63.826 4.238 61.694 1.00 19.66 ? 138 ALA A N 1 ATOM 1026 C CA . ALA A 1 147 ? -63.903 4.956 60.417 1.00 19.85 ? 138 ALA A CA 1 ATOM 1027 C C . ALA A 1 147 ? -62.751 4.569 59.480 1.00 19.89 ? 138 ALA A C 1 ATOM 1028 O O . ALA A 1 147 ? -62.848 4.743 58.262 1.00 19.83 ? 138 ALA A O 1 ATOM 1029 C CB . ALA A 1 147 ? -63.926 6.467 60.647 1.00 19.76 ? 138 ALA A CB 1 ATOM 1030 N N . CYS A 1 148 ? -61.674 4.037 60.055 1.00 19.90 ? 139 CYS A N 1 ATOM 1031 C CA . CYS A 1 148 ? -60.538 3.573 59.277 1.00 20.38 ? 139 CYS A CA 1 ATOM 1032 C C . CYS A 1 148 ? -60.284 2.078 59.466 1.00 20.20 ? 139 CYS A C 1 ATOM 1033 O O . CYS A 1 148 ? -59.246 1.697 59.992 1.00 20.01 ? 139 CYS A O 1 ATOM 1034 C CB . CYS A 1 148 ? -59.294 4.368 59.652 1.00 20.52 ? 139 CYS A CB 1 ATOM 1035 S SG . CYS A 1 148 ? -59.458 6.132 59.346 1.00 23.33 ? 139 CYS A SG 1 ATOM 1036 N N . PRO A 1 149 ? -61.224 1.220 59.014 1.00 20.28 ? 140 PRO A N 1 ATOM 1037 C CA . PRO A 1 149 ? -61.079 -0.205 59.289 1.00 20.30 ? 140 PRO A CA 1 ATOM 1038 C C . PRO A 1 149 ? -60.064 -0.926 58.396 1.00 20.52 ? 140 PRO A C 1 ATOM 1039 O O . PRO A 1 149 ? -59.988 -0.679 57.194 1.00 20.81 ? 140 PRO A O 1 ATOM 1040 C CB . PRO A 1 149 ? -62.486 -0.747 59.044 1.00 20.22 ? 140 PRO A CB 1 ATOM 1041 C CG . PRO A 1 149 ? -63.092 0.183 58.077 1.00 19.88 ? 140 PRO A CG 1 ATOM 1042 C CD . PRO A 1 149 ? -62.401 1.495 58.169 1.00 20.07 ? 140 PRO A CD 1 ATOM 1043 N N . TYR A 1 150 ? -59.278 -1.800 59.010 1.00 20.66 ? 141 TYR A N 1 ATOM 1044 C CA . TYR A 1 150 ? -58.422 -2.726 58.292 1.00 20.91 ? 141 TYR A CA 1 ATOM 1045 C C . TYR A 1 150 ? -58.851 -4.132 58.682 1.00 21.08 ? 141 TYR A C 1 ATOM 1046 O O . TYR A 1 150 ? -58.776 -4.510 59.862 1.00 21.31 ? 141 TYR A O 1 ATOM 1047 C CB . TYR A 1 150 ? -56.955 -2.507 58.647 1.00 20.94 ? 141 TYR A CB 1 ATOM 1048 C CG . TYR A 1 150 ? -56.029 -3.514 58.021 1.00 21.56 ? 141 TYR A CG 1 ATOM 1049 C CD1 . TYR A 1 150 ? -55.775 -3.494 56.651 1.00 22.83 ? 141 TYR A CD1 1 ATOM 1050 C CD2 . TYR A 1 150 ? -55.404 -4.484 58.793 1.00 22.63 ? 141 TYR A CD2 1 ATOM 1051 C CE1 . TYR A 1 150 ? -54.924 -4.415 56.069 1.00 23.58 ? 141 TYR A CE1 1 ATOM 1052 C CE2 . TYR A 1 150 ? -54.545 -5.412 58.222 1.00 23.34 ? 141 TYR A CE2 1 ATOM 1053 C CZ . TYR A 1 150 ? -54.313 -5.371 56.862 1.00 23.86 ? 141 TYR A CZ 1 ATOM 1054 O OH . TYR A 1 150 ? -53.471 -6.285 56.285 1.00 25.19 ? 141 TYR A OH 1 ATOM 1055 N N . LEU A 1 151 ? -59.316 -4.893 57.691 1.00 20.97 ? 142 LEU A N 1 ATOM 1056 C CA . LEU A 1 151 ? -59.895 -6.217 57.911 1.00 20.49 ? 142 LEU A CA 1 ATOM 1057 C C . LEU A 1 151 ? -60.931 -6.152 59.025 1.00 20.32 ? 142 LEU A C 1 ATOM 1058 O O . LEU A 1 151 ? -61.020 -7.042 59.865 1.00 20.47 ? 142 LEU A O 1 ATOM 1059 C CB . LEU A 1 151 ? -58.811 -7.259 58.207 1.00 20.33 ? 142 LEU A CB 1 ATOM 1060 C CG . LEU A 1 151 ? -57.653 -7.330 57.209 1.00 20.43 ? 142 LEU A CG 1 ATOM 1061 C CD1 . LEU A 1 151 ? -56.597 -8.303 57.694 1.00 21.11 ? 142 LEU A CD1 1 ATOM 1062 C CD2 . LEU A 1 151 ? -58.137 -7.714 55.818 1.00 20.20 ? 142 LEU A CD2 1 ATOM 1063 N N . GLY A 1 152 ? -61.702 -5.071 59.025 1.00 20.22 ? 143 GLY A N 1 ATOM 1064 C CA . GLY A 1 152 ? -62.799 -4.901 59.967 1.00 20.07 ? 143 GLY A CA 1 ATOM 1065 C C . GLY A 1 152 ? -62.363 -4.465 61.346 1.00 19.94 ? 143 GLY A C 1 ATOM 1066 O O . GLY A 1 152 ? -63.205 -4.239 62.209 1.00 20.08 ? 143 GLY A O 1 ATOM 1067 N N . LYS A 1 153 ? -61.054 -4.360 61.562 1.00 19.77 ? 144 LYS A N 1 ATOM 1068 C CA . LYS A 1 153 ? -60.526 -3.905 62.841 1.00 19.80 ? 144 LYS A CA 1 ATOM 1069 C C . LYS A 1 153 ? -60.174 -2.426 62.754 1.00 19.87 ? 144 LYS A C 1 ATOM 1070 O O . LYS A 1 153 ? -59.685 -1.964 61.725 1.00 20.12 ? 144 LYS A O 1 ATOM 1071 C CB . LYS A 1 153 ? -59.295 -4.715 63.241 1.00 19.68 ? 144 LYS A CB 1 ATOM 1072 C CG . LYS A 1 153 ? -59.429 -6.200 62.989 1.00 20.41 ? 144 LYS A CG 1 ATOM 1073 C CD . LYS A 1 153 ? -58.832 -7.043 64.111 1.00 21.81 ? 144 LYS A CD 1 ATOM 1074 C CE . LYS A 1 153 ? -59.918 -7.664 65.000 1.00 22.35 ? 144 LYS A CE 1 ATOM 1075 N NZ . LYS A 1 153 ? -60.375 -6.758 66.105 1.00 22.96 ? 144 LYS A NZ 1 ATOM 1076 N N . SER A 1 154 ? -60.423 -1.686 63.832 1.00 19.75 ? 145 SER A N 1 ATOM 1077 C CA . SER A 1 154 ? -60.088 -0.267 63.884 1.00 19.49 ? 145 SER A CA 1 ATOM 1078 C C . SER A 1 154 ? -58.618 -0.037 63.581 1.00 19.43 ? 145 SER A C 1 ATOM 1079 O O . SER A 1 154 ? -57.749 -0.667 64.184 1.00 19.76 ? 145 SER A O 1 ATOM 1080 C CB . SER A 1 154 ? -60.429 0.308 65.246 1.00 19.39 ? 145 SER A CB 1 ATOM 1081 O OG . SER A 1 154 ? -61.828 0.264 65.451 1.00 19.57 ? 145 SER A OG 1 ATOM 1082 N N . SER A 1 155 ? -58.351 0.848 62.625 1.00 19.11 ? 146 SER A N 1 ATOM 1083 C CA . SER A 1 155 ? -56.985 1.196 62.233 1.00 18.80 ? 146 SER A CA 1 ATOM 1084 C C . SER A 1 155 ? -56.941 2.706 62.000 1.00 18.42 ? 146 SER A C 1 ATOM 1085 O O . SER A 1 155 ? -57.805 3.429 62.518 1.00 18.44 ? 146 SER A O 1 ATOM 1086 C CB . SER A 1 155 ? -56.586 0.415 60.977 1.00 18.96 ? 146 SER A CB 1 ATOM 1087 O OG . SER A 1 155 ? -55.189 0.207 60.894 1.00 19.36 ? 146 SER A OG 1 ATOM 1088 N N . PHE A 1 156 ? -55.959 3.178 61.228 1.00 17.79 ? 147 PHE A N 1 ATOM 1089 C CA . PHE A 1 156 ? -55.746 4.613 60.989 1.00 17.48 ? 147 PHE A CA 1 ATOM 1090 C C . PHE A 1 156 ? -54.661 4.777 59.947 1.00 17.42 ? 147 PHE A C 1 ATOM 1091 O O . PHE A 1 156 ? -53.832 3.884 59.800 1.00 17.94 ? 147 PHE A O 1 ATOM 1092 C CB . PHE A 1 156 ? -55.302 5.294 62.286 1.00 17.38 ? 147 PHE A CB 1 ATOM 1093 C CG . PHE A 1 156 ? -55.272 6.797 62.224 1.00 16.58 ? 147 PHE A CG 1 ATOM 1094 C CD1 . PHE A 1 156 ? -56.448 7.535 62.287 1.00 15.62 ? 147 PHE A CD1 1 ATOM 1095 C CD2 . PHE A 1 156 ? -54.060 7.475 62.144 1.00 16.16 ? 147 PHE A CD2 1 ATOM 1096 C CE1 . PHE A 1 156 ? -56.420 8.923 62.248 1.00 15.25 ? 147 PHE A CE1 1 ATOM 1097 C CE2 . PHE A 1 156 ? -54.024 8.864 62.106 1.00 15.36 ? 147 PHE A CE2 1 ATOM 1098 C CZ . PHE A 1 156 ? -55.209 9.587 62.159 1.00 15.24 ? 147 PHE A CZ 1 ATOM 1099 N N . PHE A 1 157 ? -54.648 5.909 59.239 1.00 17.09 ? 148 PHE A N 1 ATOM 1100 C CA . PHE A 1 157 ? -53.633 6.181 58.214 1.00 16.65 ? 148 PHE A CA 1 ATOM 1101 C C . PHE A 1 157 ? -52.285 5.637 58.659 1.00 16.96 ? 148 PHE A C 1 ATOM 1102 O O . PHE A 1 157 ? -51.815 5.971 59.747 1.00 17.03 ? 148 PHE A O 1 ATOM 1103 C CB . PHE A 1 157 ? -53.496 7.683 57.950 1.00 16.40 ? 148 PHE A CB 1 ATOM 1104 C CG . PHE A 1 157 ? -54.787 8.380 57.616 1.00 15.02 ? 148 PHE A CG 1 ATOM 1105 C CD1 . PHE A 1 157 ? -55.267 8.400 56.311 1.00 14.07 ? 148 PHE A CD1 1 ATOM 1106 C CD2 . PHE A 1 157 ? -55.502 9.050 58.599 1.00 13.51 ? 148 PHE A CD2 1 ATOM 1107 C CE1 . PHE A 1 157 ? -56.456 9.063 55.998 1.00 13.47 ? 148 PHE A CE1 1 ATOM 1108 C CE2 . PHE A 1 157 ? -56.684 9.712 58.296 1.00 12.89 ? 148 PHE A CE2 1 ATOM 1109 C CZ . PHE A 1 157 ? -57.163 9.719 56.995 1.00 12.85 ? 148 PHE A CZ 1 ATOM 1110 N N . ARG A 1 158 ? -51.672 4.797 57.828 1.00 17.36 ? 149 ARG A N 1 ATOM 1111 C CA . ARG A 1 158 ? -50.447 4.091 58.214 1.00 18.01 ? 149 ARG A CA 1 ATOM 1112 C C . ARG A 1 158 ? -49.220 5.000 58.355 1.00 18.01 ? 149 ARG A C 1 ATOM 1113 O O . ARG A 1 158 ? -48.275 4.659 59.066 1.00 18.25 ? 149 ARG A O 1 ATOM 1114 C CB . ARG A 1 158 ? -50.118 2.945 57.246 1.00 18.32 ? 149 ARG A CB 1 ATOM 1115 C CG . ARG A 1 158 ? -51.290 2.054 56.816 1.00 20.35 ? 149 ARG A CG 1 ATOM 1116 C CD . ARG A 1 158 ? -50.883 0.572 56.691 1.00 22.91 ? 149 ARG A CD 1 ATOM 1117 N NE . ARG A 1 158 ? -51.235 -0.158 57.912 1.00 25.06 ? 149 ARG A NE 1 ATOM 1118 C CZ . ARG A 1 158 ? -52.306 -0.938 58.033 1.00 26.60 ? 149 ARG A CZ 1 ATOM 1119 N NH1 . ARG A 1 158 ? -53.112 -1.119 56.987 1.00 27.94 ? 149 ARG A NH1 1 ATOM 1120 N NH2 . ARG A 1 158 ? -52.569 -1.548 59.190 1.00 25.91 ? 149 ARG A NH2 1 ATOM 1121 N N . ASN A 1 159 ? -49.232 6.153 57.697 1.00 17.93 ? 150 ASN A N 1 ATOM 1122 C CA . ASN A 1 159 ? -48.045 7.014 57.659 1.00 17.88 ? 150 ASN A CA 1 ATOM 1123 C C . ASN A 1 159 ? -47.929 8.118 58.722 1.00 17.72 ? 150 ASN A C 1 ATOM 1124 O O . ASN A 1 159 ? -46.885 8.774 58.828 1.00 17.75 ? 150 ASN A O 1 ATOM 1125 C CB . ASN A 1 159 ? -47.875 7.590 56.259 1.00 18.01 ? 150 ASN A CB 1 ATOM 1126 C CG . ASN A 1 159 ? -47.735 6.509 55.221 1.00 18.09 ? 150 ASN A CG 1 ATOM 1127 O OD1 . ASN A 1 159 ? -47.005 5.543 55.426 1.00 18.72 ? 150 ASN A OD1 1 ATOM 1128 N ND2 . ASN A 1 159 ? -48.440 6.652 54.109 1.00 18.05 ? 150 ASN A ND2 1 ATOM 1129 N N . VAL A 1 160 ? -48.988 8.308 59.506 1.00 17.24 ? 151 VAL A N 1 ATOM 1130 C CA . VAL A 1 160 ? -48.984 9.288 60.589 1.00 16.83 ? 151 VAL A CA 1 ATOM 1131 C C . VAL A 1 160 ? -49.466 8.649 61.883 1.00 16.66 ? 151 VAL A C 1 ATOM 1132 O O . VAL A 1 160 ? -50.279 7.733 61.846 1.00 16.89 ? 151 VAL A O 1 ATOM 1133 C CB . VAL A 1 160 ? -49.856 10.528 60.264 1.00 16.82 ? 151 VAL A CB 1 ATOM 1134 C CG1 . VAL A 1 160 ? -49.177 11.414 59.231 1.00 16.17 ? 151 VAL A CG1 1 ATOM 1135 C CG2 . VAL A 1 160 ? -51.257 10.113 59.810 1.00 16.83 ? 151 VAL A CG2 1 ATOM 1136 N N . VAL A 1 161 ? -48.971 9.137 63.019 1.00 16.42 ? 152 VAL A N 1 ATOM 1137 C CA . VAL A 1 161 ? -49.283 8.550 64.324 1.00 16.42 ? 152 VAL A CA 1 ATOM 1138 C C . VAL A 1 161 ? -50.182 9.469 65.154 1.00 16.53 ? 152 VAL A C 1 ATOM 1139 O O . VAL A 1 161 ? -49.824 10.615 65.434 1.00 16.77 ? 152 VAL A O 1 ATOM 1140 C CB . VAL A 1 161 ? -47.999 8.235 65.145 1.00 16.45 ? 152 VAL A CB 1 ATOM 1141 C CG1 . VAL A 1 161 ? -48.314 7.281 66.284 1.00 16.23 ? 152 VAL A CG1 1 ATOM 1142 C CG2 . VAL A 1 161 ? -46.897 7.661 64.265 1.00 16.53 ? 152 VAL A CG2 1 ATOM 1143 N N . TRP A 1 162 ? -51.339 8.951 65.558 1.00 16.45 ? 153 TRP A N 1 ATOM 1144 C CA . TRP A 1 162 ? -52.295 9.706 66.359 1.00 16.30 ? 153 TRP A CA 1 ATOM 1145 C C . TRP A 1 162 ? -51.986 9.518 67.835 1.00 16.72 ? 153 TRP A C 1 ATOM 1146 O O . TRP A 1 162 ? -52.520 8.619 68.485 1.00 16.83 ? 153 TRP A O 1 ATOM 1147 C CB . TRP A 1 162 ? -53.706 9.217 66.060 1.00 16.02 ? 153 TRP A CB 1 ATOM 1148 C CG . TRP A 1 162 ? -54.801 9.905 66.808 1.00 14.87 ? 153 TRP A CG 1 ATOM 1149 C CD1 . TRP A 1 162 ? -54.676 10.882 67.756 1.00 14.18 ? 153 TRP A CD1 1 ATOM 1150 C CD2 . TRP A 1 162 ? -56.199 9.640 66.690 1.00 14.15 ? 153 TRP A CD2 1 ATOM 1151 N NE1 . TRP A 1 162 ? -55.912 11.257 68.220 1.00 13.71 ? 153 TRP A NE1 1 ATOM 1152 C CE2 . TRP A 1 162 ? -56.867 10.509 67.585 1.00 13.91 ? 153 TRP A CE2 1 ATOM 1153 C CE3 . TRP A 1 162 ? -56.956 8.758 65.908 1.00 13.79 ? 153 TRP A CE3 1 ATOM 1154 C CZ2 . TRP A 1 162 ? -58.254 10.521 67.723 1.00 13.84 ? 153 TRP A CZ2 1 ATOM 1155 C CZ3 . TRP A 1 162 ? -58.336 8.770 66.040 1.00 14.16 ? 153 TRP A CZ3 1 ATOM 1156 C CH2 . TRP A 1 162 ? -58.972 9.650 66.943 1.00 14.37 ? 153 TRP A CH2 1 ATOM 1157 N N . LEU A 1 163 ? -51.134 10.382 68.371 1.00 17.36 ? 154 LEU A N 1 ATOM 1158 C CA . LEU A 1 163 ? -50.696 10.257 69.763 1.00 17.87 ? 154 LEU A CA 1 ATOM 1159 C C . LEU A 1 163 ? -51.755 10.713 70.763 1.00 18.41 ? 154 LEU A C 1 ATOM 1160 O O . LEU A 1 163 ? -52.418 11.730 70.559 1.00 18.38 ? 154 LEU A O 1 ATOM 1161 C CB . LEU A 1 163 ? -49.372 10.989 69.973 1.00 17.59 ? 154 LEU A CB 1 ATOM 1162 C CG . LEU A 1 163 ? -48.220 10.412 69.135 1.00 17.39 ? 154 LEU A CG 1 ATOM 1163 C CD1 . LEU A 1 163 ? -47.150 11.450 68.914 1.00 17.99 ? 154 LEU A CD1 1 ATOM 1164 C CD2 . LEU A 1 163 ? -47.620 9.177 69.771 1.00 16.95 ? 154 LEU A CD2 1 ATOM 1165 N N . ILE A 1 164 ? -51.939 9.922 71.817 1.00 19.22 ? 155 ILE A N 1 ATOM 1166 C CA . ILE A 1 164 ? -52.801 10.297 72.944 1.00 20.29 ? 155 ILE A CA 1 ATOM 1167 C C . ILE A 1 164 ? -52.039 10.154 74.269 1.00 20.92 ? 155 ILE A C 1 ATOM 1168 O O . ILE A 1 164 ? -50.860 9.788 74.265 1.00 21.22 ? 155 ILE A O 1 ATOM 1169 C CB . ILE A 1 164 ? -54.170 9.548 72.958 1.00 20.30 ? 155 ILE A CB 1 ATOM 1170 C CG1 . ILE A 1 164 ? -54.007 8.047 73.209 1.00 20.95 ? 155 ILE A CG1 1 ATOM 1171 C CG2 . ILE A 1 164 ? -54.951 9.816 71.667 1.00 20.38 ? 155 ILE A CG2 1 ATOM 1172 C CD1 . ILE A 1 164 ? -53.623 7.241 71.961 1.00 23.66 ? 155 ILE A CD1 1 ATOM 1173 N N . LYS A 1 165 ? -52.694 10.454 75.390 1.00 21.60 ? 156 LYS A N 1 ATOM 1174 C CA . LYS A 1 165 ? -51.998 10.531 76.681 1.00 22.37 ? 156 LYS A CA 1 ATOM 1175 C C . LYS A 1 165 ? -51.573 9.183 77.282 1.00 23.04 ? 156 LYS A C 1 ATOM 1176 O O . LYS A 1 165 ? -52.170 8.149 77.009 1.00 23.02 ? 156 LYS A O 1 ATOM 1177 C CB . LYS A 1 165 ? -52.818 11.348 77.683 1.00 22.20 ? 156 LYS A CB 1 ATOM 1178 C CG . LYS A 1 165 ? -54.066 10.663 78.213 1.00 22.05 ? 156 LYS A CG 1 ATOM 1179 C CD . LYS A 1 165 ? -54.966 11.681 78.894 1.00 21.67 ? 156 LYS A CD 1 ATOM 1180 C CE . LYS A 1 165 ? -55.821 11.055 79.971 1.00 20.71 ? 156 LYS A CE 1 ATOM 1181 N NZ . LYS A 1 165 ? -56.956 11.955 80.299 1.00 20.45 ? 156 LYS A NZ 1 ATOM 1182 N N . LYS A 1 166 ? -50.523 9.214 78.091 1.00 24.13 ? 157 LYS A N 1 ATOM 1183 C CA . LYS A 1 166 ? -50.034 8.040 78.808 1.00 25.30 ? 157 LYS A CA 1 ATOM 1184 C C . LYS A 1 166 ? -50.075 8.387 80.296 1.00 25.97 ? 157 LYS A C 1 ATOM 1185 O O . LYS A 1 166 ? -49.611 9.463 80.699 1.00 26.30 ? 157 LYS A O 1 ATOM 1186 C CB . LYS A 1 166 ? -48.599 7.727 78.379 1.00 25.43 ? 157 LYS A CB 1 ATOM 1187 C CG . LYS A 1 166 ? -48.101 6.311 78.664 1.00 26.27 ? 157 LYS A CG 1 ATOM 1188 C CD . LYS A 1 166 ? -46.637 6.350 79.132 1.00 28.11 ? 157 LYS A CD 1 ATOM 1189 C CE . LYS A 1 166 ? -45.870 5.064 78.850 1.00 28.17 ? 157 LYS A CE 1 ATOM 1190 N NZ . LYS A 1 166 ? -45.334 5.083 77.461 1.00 28.91 ? 157 LYS A NZ 1 ATOM 1191 N N . ASN A 1 167 ? -50.637 7.482 81.099 1.00 26.46 ? 158 ASN A N 1 ATOM 1192 C CA . ASN A 1 167 ? -50.811 7.684 82.547 1.00 26.96 ? 158 ASN A CA 1 ATOM 1193 C C . ASN A 1 167 ? -51.325 9.080 82.893 1.00 26.85 ? 158 ASN A C 1 ATOM 1194 O O . ASN A 1 167 ? -50.611 9.866 83.516 1.00 27.07 ? 158 ASN A O 1 ATOM 1195 C CB . ASN A 1 167 ? -49.513 7.387 83.327 1.00 27.14 ? 158 ASN A CB 1 ATOM 1196 C CG . ASN A 1 167 ? -48.853 6.062 82.919 1.00 29.00 ? 158 ASN A CG 1 ATOM 1197 O OD1 . ASN A 1 167 ? -49.411 4.968 83.117 1.00 30.99 ? 158 ASN A OD1 1 ATOM 1198 N ND2 . ASN A 1 167 ? -47.646 6.158 82.360 1.00 29.66 ? 158 ASN A ND2 1 ATOM 1199 N N . SER A 1 168 ? -52.547 9.393 82.462 1.00 26.80 ? 159 SER A N 1 ATOM 1200 C CA . SER A 1 168 ? -53.203 10.686 82.772 1.00 26.85 ? 159 SER A CA 1 ATOM 1201 C C . SER A 1 168 ? -52.404 11.979 82.471 1.00 26.59 ? 159 SER A C 1 ATOM 1202 O O . SER A 1 168 ? -52.703 13.043 83.022 1.00 26.49 ? 159 SER A O 1 ATOM 1203 C CB . SER A 1 168 ? -53.682 10.703 84.228 1.00 26.77 ? 159 SER A CB 1 ATOM 1204 O OG . SER A 1 168 ? -55.065 10.423 84.300 1.00 27.51 ? 159 SER A OG 1 ATOM 1205 N N . ALA A 1 169 ? -51.408 11.886 81.595 1.00 26.25 ? 160 ALA A N 1 ATOM 1206 C CA . ALA A 1 169 ? -50.499 12.999 81.361 1.00 25.95 ? 160 ALA A CA 1 ATOM 1207 C C . ALA A 1 169 ? -50.072 13.103 79.901 1.00 25.70 ? 160 ALA A C 1 ATOM 1208 O O . ALA A 1 169 ? -49.802 12.093 79.251 1.00 25.97 ? 160 ALA A O 1 ATOM 1209 C CB . ALA A 1 169 ? -49.278 12.864 82.260 1.00 25.97 ? 160 ALA A CB 1 ATOM 1210 N N . TYR A 1 170 ? -50.014 14.331 79.397 1.00 25.12 ? 161 TYR A N 1 ATOM 1211 C CA . TYR A 1 170 ? -49.528 14.598 78.055 1.00 24.65 ? 161 TYR A CA 1 ATOM 1212 C C . TYR A 1 170 ? -48.405 15.630 78.125 1.00 24.40 ? 161 TYR A C 1 ATOM 1213 O O . TYR A 1 170 ? -48.641 16.833 77.957 1.00 24.18 ? 161 TYR A O 1 ATOM 1214 C CB . TYR A 1 170 ? -50.664 15.097 77.155 1.00 24.62 ? 161 TYR A CB 1 ATOM 1215 C CG . TYR A 1 170 ? -50.383 15.014 75.664 1.00 24.82 ? 161 TYR A CG 1 ATOM 1216 C CD1 . TYR A 1 170 ? -51.109 14.142 74.845 1.00 25.15 ? 161 TYR A CD1 1 ATOM 1217 C CD2 . TYR A 1 170 ? -49.404 15.809 75.067 1.00 24.88 ? 161 TYR A CD2 1 ATOM 1218 C CE1 . TYR A 1 170 ? -50.863 14.063 73.476 1.00 24.44 ? 161 TYR A CE1 1 ATOM 1219 C CE2 . TYR A 1 170 ? -49.153 15.736 73.700 1.00 25.06 ? 161 TYR A CE2 1 ATOM 1220 C CZ . TYR A 1 170 ? -49.887 14.864 72.915 1.00 24.99 ? 161 TYR A CZ 1 ATOM 1221 O OH . TYR A 1 170 ? -49.638 14.800 71.567 1.00 25.71 ? 161 TYR A OH 1 ATOM 1222 N N . PRO A 1 171 ? -47.172 15.165 78.380 1.00 24.16 ? 162 PRO A N 1 ATOM 1223 C CA . PRO A 1 171 ? -46.036 16.075 78.386 1.00 24.15 ? 162 PRO A CA 1 ATOM 1224 C C . PRO A 1 171 ? -45.908 16.790 77.042 1.00 24.31 ? 162 PRO A C 1 ATOM 1225 O O . PRO A 1 171 ? -46.338 16.263 76.013 1.00 24.54 ? 162 PRO A O 1 ATOM 1226 C CB . PRO A 1 171 ? -44.838 15.140 78.583 1.00 24.00 ? 162 PRO A CB 1 ATOM 1227 C CG . PRO A 1 171 ? -45.394 13.907 79.155 1.00 23.91 ? 162 PRO A CG 1 ATOM 1228 C CD . PRO A 1 171 ? -46.756 13.767 78.579 1.00 24.12 ? 162 PRO A CD 1 ATOM 1229 N N . THR A 1 172 ? -45.330 17.986 77.053 1.00 24.35 ? 163 THR A N 1 ATOM 1230 C CA . THR A 1 172 ? -45.027 18.694 75.817 1.00 24.17 ? 163 THR A CA 1 ATOM 1231 C C . THR A 1 172 ? -44.042 17.885 74.973 1.00 24.29 ? 163 THR A C 1 ATOM 1232 O O . THR A 1 172 ? -43.039 17.388 75.477 1.00 24.21 ? 163 THR A O 1 ATOM 1233 C CB . THR A 1 172 ? -44.490 20.104 76.110 1.00 23.95 ? 163 THR A CB 1 ATOM 1234 O OG1 . THR A 1 172 ? -45.546 20.890 76.664 1.00 23.80 ? 163 THR A OG1 1 ATOM 1235 C CG2 . THR A 1 172 ? -43.988 20.788 74.846 1.00 24.06 ? 163 THR A CG2 1 ATOM 1236 N N . ILE A 1 173 ? -44.366 17.738 73.693 1.00 24.54 ? 164 ILE A N 1 ATOM 1237 C CA . ILE A 1 173 ? -43.499 17.073 72.733 1.00 24.74 ? 164 ILE A CA 1 ATOM 1238 C C . ILE A 1 173 ? -42.531 18.072 72.101 1.00 25.13 ? 164 ILE A C 1 ATOM 1239 O O . ILE A 1 173 ? -42.930 19.164 71.680 1.00 25.17 ? 164 ILE A O 1 ATOM 1240 C CB . ILE A 1 173 ? -44.326 16.373 71.625 1.00 24.66 ? 164 ILE A CB 1 ATOM 1241 C CG1 . ILE A 1 173 ? -45.084 15.178 72.203 1.00 24.46 ? 164 ILE A CG1 1 ATOM 1242 C CG2 . ILE A 1 173 ? -43.432 15.916 70.478 1.00 24.35 ? 164 ILE A CG2 1 ATOM 1243 C CD1 . ILE A 1 173 ? -46.260 14.723 71.369 1.00 24.46 ? 164 ILE A CD1 1 ATOM 1244 N N . LYS A 1 174 ? -41.257 17.690 72.058 1.00 25.49 ? 165 LYS A N 1 ATOM 1245 C CA . LYS A 1 174 ? -40.249 18.397 71.272 1.00 25.85 ? 165 LYS A CA 1 ATOM 1246 C C . LYS A 1 174 ? -39.510 17.376 70.415 1.00 26.15 ? 165 LYS A C 1 ATOM 1247 O O . LYS A 1 174 ? -38.722 16.590 70.930 1.00 26.55 ? 165 LYS A O 1 ATOM 1248 C CB . LYS A 1 174 ? -39.277 19.160 72.175 1.00 25.68 ? 165 LYS A CB 1 ATOM 1249 C CG . LYS A 1 174 ? -39.947 20.273 72.975 1.00 26.51 ? 165 LYS A CG 1 ATOM 1250 C CD . LYS A 1 174 ? -38.967 21.077 73.829 1.00 27.22 ? 165 LYS A CD 1 ATOM 1251 C CE . LYS A 1 174 ? -39.731 22.060 74.717 1.00 27.39 ? 165 LYS A CE 1 ATOM 1252 N NZ . LYS A 1 174 ? -38.839 23.011 75.426 1.00 27.69 ? 165 LYS A NZ 1 ATOM 1253 N N . ARG A 1 175 ? -39.801 17.364 69.117 1.00 26.47 ? 166 ARG A N 1 ATOM 1254 C CA . ARG A 1 175 ? -39.125 16.480 68.169 1.00 26.78 ? 166 ARG A CA 1 ATOM 1255 C C . ARG A 1 175 ? -38.542 17.253 67.001 1.00 27.20 ? 166 ARG A C 1 ATOM 1256 O O . ARG A 1 175 ? -39.094 18.265 66.566 1.00 27.46 ? 166 ARG A O 1 ATOM 1257 C CB . ARG A 1 175 ? -40.076 15.421 67.627 1.00 26.77 ? 166 ARG A CB 1 ATOM 1258 C CG . ARG A 1 175 ? -40.246 14.211 68.506 1.00 26.84 ? 166 ARG A CG 1 ATOM 1259 C CD . ARG A 1 175 ? -39.007 13.332 68.510 1.00 26.96 ? 166 ARG A CD 1 ATOM 1260 N NE . ARG A 1 175 ? -39.359 11.932 68.715 1.00 26.69 ? 166 ARG A NE 1 ATOM 1261 C CZ . ARG A 1 175 ? -39.907 11.451 69.826 1.00 27.08 ? 166 ARG A CZ 1 ATOM 1262 N NH1 . ARG A 1 175 ? -40.175 12.254 70.853 1.00 26.83 ? 166 ARG A NH1 1 ATOM 1263 N NH2 . ARG A 1 175 ? -40.198 10.162 69.908 1.00 27.68 ? 166 ARG A NH2 1 ATOM 1264 N N . SER A 1 176 ? -37.432 16.748 66.479 1.00 27.55 ? 167 SER A N 1 ATOM 1265 C CA . SER A 1 176 ? -36.726 17.406 65.402 1.00 27.77 ? 167 SER A CA 1 ATOM 1266 C C . SER A 1 176 ? -36.259 16.368 64.386 1.00 28.14 ? 167 SER A C 1 ATOM 1267 O O . SER A 1 176 ? -35.906 15.249 64.766 1.00 28.48 ? 167 SER A O 1 ATOM 1268 C CB . SER A 1 176 ? -35.532 18.142 65.983 1.00 27.57 ? 167 SER A CB 1 ATOM 1269 O OG . SER A 1 176 ? -35.567 19.491 65.606 1.00 27.68 ? 167 SER A OG 1 ATOM 1270 N N . TYR A 1 177 ? -36.273 16.719 63.101 1.00 28.36 ? 168 TYR A N 1 ATOM 1271 C CA . TYR A 1 177 ? -35.679 15.854 62.082 1.00 28.71 ? 168 TYR A CA 1 ATOM 1272 C C . TYR A 1 177 ? -34.825 16.651 61.103 1.00 29.27 ? 168 TYR A C 1 ATOM 1273 O O . TYR A 1 177 ? -35.296 17.608 60.495 1.00 29.36 ? 168 TYR A O 1 ATOM 1274 C CB . TYR A 1 177 ? -36.734 15.015 61.338 1.00 28.46 ? 168 TYR A CB 1 ATOM 1275 C CG . TYR A 1 177 ? -36.132 14.176 60.227 1.00 27.98 ? 168 TYR A CG 1 ATOM 1276 C CD1 . TYR A 1 177 ? -35.661 12.892 60.472 1.00 27.48 ? 168 TYR A CD1 1 ATOM 1277 C CD2 . TYR A 1 177 ? -36.006 14.684 58.934 1.00 28.04 ? 168 TYR A CD2 1 ATOM 1278 C CE1 . TYR A 1 177 ? -35.088 12.131 59.460 1.00 27.26 ? 168 TYR A CE1 1 ATOM 1279 C CE2 . TYR A 1 177 ? -35.434 13.932 57.916 1.00 27.65 ? 168 TYR A CE2 1 ATOM 1280 C CZ . TYR A 1 177 ? -34.975 12.659 58.186 1.00 27.25 ? 168 TYR A CZ 1 ATOM 1281 O OH . TYR A 1 177 ? -34.408 11.914 57.177 1.00 26.87 ? 168 TYR A OH 1 ATOM 1282 N N . ASN A 1 178 ? -33.568 16.245 60.959 1.00 29.97 ? 169 ASN A N 1 ATOM 1283 C CA . ASN A 1 178 ? -32.646 16.890 60.037 1.00 30.82 ? 169 ASN A CA 1 ATOM 1284 C C . ASN A 1 178 ? -32.641 16.123 58.720 1.00 31.09 ? 169 ASN A C 1 ATOM 1285 O O . ASN A 1 178 ? -32.462 14.903 58.703 1.00 31.12 ? 169 ASN A O 1 ATOM 1286 C CB . ASN A 1 178 ? -31.236 16.959 60.651 1.00 31.04 ? 169 ASN A CB 1 ATOM 1287 C CG . ASN A 1 178 ? -30.265 17.823 59.839 1.00 32.39 ? 169 ASN A CG 1 ATOM 1288 O OD1 . ASN A 1 178 ? -30.035 17.574 58.649 1.00 35.89 ? 169 ASN A OD1 1 ATOM 1289 N ND2 . ASN A 1 178 ? -29.704 18.850 60.477 1.00 33.58 ? 169 ASN A ND2 1 ATOM 1290 N N . ASN A 1 179 ? -32.854 16.840 57.620 1.00 31.53 ? 170 ASN A N 1 ATOM 1291 C CA . ASN A 1 179 ? -32.829 16.229 56.293 1.00 31.93 ? 170 ASN A CA 1 ATOM 1292 C C . ASN A 1 179 ? -31.397 15.892 55.863 1.00 32.22 ? 170 ASN A C 1 ATOM 1293 O O . ASN A 1 179 ? -30.703 16.707 55.242 1.00 32.30 ? 170 ASN A O 1 ATOM 1294 C CB . ASN A 1 179 ? -33.529 17.130 55.264 1.00 31.97 ? 170 ASN A CB 1 ATOM 1295 C CG . ASN A 1 179 ? -33.869 16.399 53.968 1.00 32.08 ? 170 ASN A CG 1 ATOM 1296 O OD1 . ASN A 1 179 ? -33.727 15.175 53.870 1.00 32.35 ? 170 ASN A OD1 1 ATOM 1297 N ND2 . ASN A 1 179 ? -34.327 17.150 52.969 1.00 31.52 ? 170 ASN A ND2 1 ATOM 1298 N N . THR A 1 180 ? -30.964 14.681 56.205 1.00 32.54 ? 171 THR A N 1 ATOM 1299 C CA . THR A 1 180 ? -29.602 14.226 55.906 1.00 32.66 ? 171 THR A CA 1 ATOM 1300 C C . THR A 1 180 ? -29.478 13.590 54.523 1.00 32.99 ? 171 THR A C 1 ATOM 1301 O O . THR A 1 180 ? -28.380 13.215 54.106 1.00 33.25 ? 171 THR A O 1 ATOM 1302 C CB . THR A 1 180 ? -29.087 13.230 56.959 1.00 32.45 ? 171 THR A CB 1 ATOM 1303 O OG1 . THR A 1 180 ? -29.901 12.053 56.944 1.00 31.53 ? 171 THR A OG1 1 ATOM 1304 C CG2 . THR A 1 180 ? -29.108 13.857 58.342 1.00 32.54 ? 171 THR A CG2 1 ATOM 1305 N N . ASN A 1 181 ? -30.600 13.468 53.820 1.00 33.16 ? 172 ASN A N 1 ATOM 1306 C CA . ASN A 1 181 ? -30.599 12.933 52.465 1.00 33.45 ? 172 ASN A CA 1 ATOM 1307 C C . ASN A 1 181 ? -30.155 13.989 51.453 1.00 33.70 ? 172 ASN A C 1 ATOM 1308 O O . ASN A 1 181 ? -30.031 15.171 51.790 1.00 33.81 ? 172 ASN A O 1 ATOM 1309 C CB . ASN A 1 181 ? -31.978 12.392 52.107 1.00 33.44 ? 172 ASN A CB 1 ATOM 1310 C CG . ASN A 1 181 ? -32.594 11.580 53.230 1.00 33.62 ? 172 ASN A CG 1 ATOM 1311 O OD1 . ASN A 1 181 ? -32.501 10.352 53.241 1.00 33.95 ? 172 ASN A OD1 1 ATOM 1312 N ND2 . ASN A 1 181 ? -33.226 12.263 54.184 1.00 33.15 ? 172 ASN A ND2 1 ATOM 1313 N N . GLN A 1 182 ? -29.912 13.563 50.215 1.00 33.86 ? 173 GLN A N 1 ATOM 1314 C CA . GLN A 1 182 ? -29.460 14.485 49.168 1.00 34.06 ? 173 GLN A CA 1 ATOM 1315 C C . GLN A 1 182 ? -30.657 15.069 48.423 1.00 33.44 ? 173 GLN A C 1 ATOM 1316 O O . GLN A 1 182 ? -30.495 15.776 47.429 1.00 33.43 ? 173 GLN A O 1 ATOM 1317 C CB . GLN A 1 182 ? -28.521 13.778 48.170 1.00 34.62 ? 173 GLN A CB 1 ATOM 1318 C CG . GLN A 1 182 ? -27.645 12.635 48.741 1.00 36.44 ? 173 GLN A CG 1 ATOM 1319 C CD . GLN A 1 182 ? -26.707 13.087 49.862 1.00 38.71 ? 173 GLN A CD 1 ATOM 1320 O OE1 . GLN A 1 182 ? -26.080 14.148 49.779 1.00 39.56 ? 173 GLN A OE1 1 ATOM 1321 N NE2 . GLN A 1 182 ? -26.611 12.275 50.917 1.00 39.25 ? 173 GLN A NE2 1 ATOM 1322 N N . GLU A 1 183 ? -31.855 14.766 48.913 1.00 32.73 ? 174 GLU A N 1 ATOM 1323 C CA . GLU A 1 183 ? -33.089 15.098 48.211 1.00 32.11 ? 174 GLU A CA 1 ATOM 1324 C C . GLU A 1 183 ? -34.104 15.842 49.077 1.00 31.33 ? 174 GLU A C 1 ATOM 1325 O O . GLU A 1 183 ? -34.115 15.700 50.307 1.00 31.33 ? 174 GLU A O 1 ATOM 1326 C CB . GLU A 1 183 ? -33.730 13.822 47.669 1.00 32.31 ? 174 GLU A CB 1 ATOM 1327 C CG . GLU A 1 183 ? -32.918 13.134 46.590 1.00 33.54 ? 174 GLU A CG 1 ATOM 1328 C CD . GLU A 1 183 ? -33.432 11.749 46.273 1.00 35.24 ? 174 GLU A CD 1 ATOM 1329 O OE1 . GLU A 1 183 ? -34.665 11.583 46.152 1.00 35.96 ? 174 GLU A OE1 1 ATOM 1330 O OE2 . GLU A 1 183 ? -32.600 10.825 46.140 1.00 36.26 ? 174 GLU A OE2 1 ATOM 1331 N N . ASP A 1 184 ? -34.954 16.633 48.419 1.00 30.09 ? 175 ASP A N 1 ATOM 1332 C CA . ASP A 1 184 ? -36.082 17.289 49.067 1.00 28.84 ? 175 ASP A CA 1 ATOM 1333 C C . ASP A 1 184 ? -36.990 16.255 49.727 1.00 27.80 ? 175 ASP A C 1 ATOM 1334 O O . ASP A 1 184 ? -37.223 15.175 49.173 1.00 27.91 ? 175 ASP A O 1 ATOM 1335 C CB . ASP A 1 184 ? -36.880 18.097 48.044 1.00 29.08 ? 175 ASP A CB 1 ATOM 1336 C CG . ASP A 1 184 ? -36.263 19.453 47.753 1.00 29.79 ? 175 ASP A CG 1 ATOM 1337 O OD1 . ASP A 1 184 ? -35.071 19.664 48.075 1.00 30.34 ? 175 ASP A OD1 1 ATOM 1338 O OD2 . ASP A 1 184 ? -36.980 20.315 47.200 1.00 30.50 ? 175 ASP A OD2 1 ATOM 1339 N N . LEU A 1 185 ? -37.499 16.590 50.909 1.00 26.19 ? 176 LEU A N 1 ATOM 1340 C CA . LEU A 1 185 ? -38.352 15.682 51.662 1.00 24.61 ? 176 LEU A CA 1 ATOM 1341 C C . LEU A 1 185 ? -39.763 16.242 51.837 1.00 23.49 ? 176 LEU A C 1 ATOM 1342 O O . LEU A 1 185 ? -39.945 17.376 52.287 1.00 23.35 ? 176 LEU A O 1 ATOM 1343 C CB . LEU A 1 185 ? -37.721 15.385 53.021 1.00 24.71 ? 176 LEU A CB 1 ATOM 1344 C CG . LEU A 1 185 ? -38.025 14.045 53.696 1.00 25.11 ? 176 LEU A CG 1 ATOM 1345 C CD1 . LEU A 1 185 ? -37.443 12.881 52.900 1.00 25.82 ? 176 LEU A CD1 1 ATOM 1346 C CD2 . LEU A 1 185 ? -37.480 14.030 55.116 1.00 25.07 ? 176 LEU A CD2 1 ATOM 1347 N N . LEU A 1 186 ? -40.760 15.447 51.462 1.00 22.00 ? 177 LEU A N 1 ATOM 1348 C CA . LEU A 1 186 ? -42.155 15.825 51.654 1.00 20.37 ? 177 LEU A CA 1 ATOM 1349 C C . LEU A 1 186 ? -42.622 15.269 52.977 1.00 19.44 ? 177 LEU A C 1 ATOM 1350 O O . LEU A 1 186 ? -42.654 14.061 53.166 1.00 19.07 ? 177 LEU A O 1 ATOM 1351 C CB . LEU A 1 186 ? -43.028 15.285 50.524 1.00 20.25 ? 177 LEU A CB 1 ATOM 1352 C CG . LEU A 1 186 ? -44.538 15.470 50.663 1.00 19.78 ? 177 LEU A CG 1 ATOM 1353 C CD1 . LEU A 1 186 ? -44.929 16.929 50.522 1.00 19.74 ? 177 LEU A CD1 1 ATOM 1354 C CD2 . LEU A 1 186 ? -45.267 14.626 49.641 1.00 19.18 ? 177 LEU A CD2 1 ATOM 1355 N N . VAL A 1 187 ? -42.973 16.161 53.895 1.00 18.63 ? 178 VAL A N 1 ATOM 1356 C CA . VAL A 1 187 ? -43.365 15.766 55.245 1.00 17.69 ? 178 VAL A CA 1 ATOM 1357 C C . VAL A 1 187 ? -44.823 16.145 55.495 1.00 17.27 ? 178 VAL A C 1 ATOM 1358 O O . VAL A 1 187 ? -45.255 17.245 55.149 1.00 17.00 ? 178 VAL A O 1 ATOM 1359 C CB . VAL A 1 187 ? -42.429 16.390 56.322 1.00 17.53 ? 178 VAL A CB 1 ATOM 1360 C CG1 . VAL A 1 187 ? -42.809 15.921 57.706 1.00 17.19 ? 178 VAL A CG1 1 ATOM 1361 C CG2 . VAL A 1 187 ? -40.979 16.037 56.048 1.00 16.89 ? 178 VAL A CG2 1 ATOM 1362 N N . LEU A 1 188 ? -45.568 15.214 56.085 1.00 16.89 ? 179 LEU A N 1 ATOM 1363 C CA . LEU A 1 188 ? -46.985 15.400 56.379 1.00 16.65 ? 179 LEU A CA 1 ATOM 1364 C C . LEU A 1 188 ? -47.240 15.195 57.860 1.00 16.46 ? 179 LEU A C 1 ATOM 1365 O O . LEU A 1 188 ? -46.669 14.291 58.472 1.00 16.70 ? 179 LEU A O 1 ATOM 1366 C CB . LEU A 1 188 ? -47.834 14.393 55.603 1.00 16.70 ? 179 LEU A CB 1 ATOM 1367 C CG . LEU A 1 188 ? -47.638 14.228 54.094 1.00 17.21 ? 179 LEU A CG 1 ATOM 1368 C CD1 . LEU A 1 188 ? -47.829 12.777 53.706 1.00 17.82 ? 179 LEU A CD1 1 ATOM 1369 C CD2 . LEU A 1 188 ? -48.577 15.124 53.304 1.00 17.53 ? 179 LEU A CD2 1 ATOM 1370 N N . TRP A 1 189 ? -48.097 16.038 58.429 1.00 15.97 ? 180 TRP A N 1 ATOM 1371 C CA . TRP A 1 189 ? -48.571 15.874 59.798 1.00 15.47 ? 180 TRP A CA 1 ATOM 1372 C C . TRP A 1 189 ? -50.016 16.332 59.859 1.00 15.35 ? 180 TRP A C 1 ATOM 1373 O O . TRP A 1 189 ? -50.597 16.691 58.839 1.00 15.40 ? 180 TRP A O 1 ATOM 1374 C CB . TRP A 1 189 ? -47.711 16.659 60.781 1.00 15.47 ? 180 TRP A CB 1 ATOM 1375 C CG . TRP A 1 189 ? -47.750 18.141 60.564 1.00 15.32 ? 180 TRP A CG 1 ATOM 1376 C CD1 . TRP A 1 189 ? -48.484 19.056 61.261 1.00 15.29 ? 180 TRP A CD1 1 ATOM 1377 C CD2 . TRP A 1 189 ? -47.021 18.877 59.580 1.00 14.87 ? 180 TRP A CD2 1 ATOM 1378 N NE1 . TRP A 1 189 ? -48.256 20.322 60.773 1.00 14.96 ? 180 TRP A NE1 1 ATOM 1379 C CE2 . TRP A 1 189 ? -47.362 20.239 59.739 1.00 14.75 ? 180 TRP A CE2 1 ATOM 1380 C CE3 . TRP A 1 189 ? -46.110 18.519 58.579 1.00 14.53 ? 180 TRP A CE3 1 ATOM 1381 C CZ2 . TRP A 1 189 ? -46.831 21.239 58.933 1.00 14.77 ? 180 TRP A CZ2 1 ATOM 1382 C CZ3 . TRP A 1 189 ? -45.582 19.510 57.781 1.00 14.71 ? 180 TRP A CZ3 1 ATOM 1383 C CH2 . TRP A 1 189 ? -45.944 20.856 57.960 1.00 15.14 ? 180 TRP A CH2 1 ATOM 1384 N N . GLY A 1 190 ? -50.602 16.321 61.048 1.00 15.18 ? 181 GLY A N 1 ATOM 1385 C CA . GLY A 1 190 ? -52.012 16.634 61.172 1.00 15.16 ? 181 GLY A CA 1 ATOM 1386 C C . GLY A 1 190 ? -52.410 17.027 62.570 1.00 15.28 ? 181 GLY A C 1 ATOM 1387 O O . GLY A 1 190 ? -51.617 16.942 63.499 1.00 15.48 ? 181 GLY A O 1 ATOM 1388 N N . ILE A 1 191 ? -53.654 17.457 62.712 1.00 15.27 ? 182 ILE A N 1 ATOM 1389 C CA . ILE A 1 191 ? -54.183 17.880 63.987 1.00 15.36 ? 182 ILE A CA 1 ATOM 1390 C C . ILE A 1 191 ? -55.555 17.254 64.124 1.00 15.63 ? 182 ILE A C 1 ATOM 1391 O O . ILE A 1 191 ? -56.261 17.091 63.130 1.00 15.88 ? 182 ILE A O 1 ATOM 1392 C CB . ILE A 1 191 ? -54.262 19.425 64.084 1.00 15.40 ? 182 ILE A CB 1 ATOM 1393 C CG1 . ILE A 1 191 ? -54.769 19.859 65.467 1.00 15.68 ? 182 ILE A CG1 1 ATOM 1394 C CG2 . ILE A 1 191 ? -55.123 20.014 62.946 1.00 15.26 ? 182 ILE A CG2 1 ATOM 1395 C CD1 . ILE A 1 191 ? -54.532 21.324 65.806 1.00 15.18 ? 182 ILE A CD1 1 ATOM 1396 N N . HIS A 1 192 ? -55.921 16.887 65.346 1.00 15.93 ? 183 HIS A N 1 ATOM 1397 C CA . HIS A 1 192 ? -57.239 16.339 65.622 1.00 16.39 ? 183 HIS A CA 1 ATOM 1398 C C . HIS A 1 192 ? -58.166 17.420 66.179 1.00 17.21 ? 183 HIS A C 1 ATOM 1399 O O . HIS A 1 192 ? -57.868 18.031 67.210 1.00 17.71 ? 183 HIS A O 1 ATOM 1400 C CB . HIS A 1 192 ? -57.133 15.170 66.601 1.00 15.96 ? 183 HIS A CB 1 ATOM 1401 C CG . HIS A 1 192 ? -58.457 14.661 67.083 1.00 15.30 ? 183 HIS A CG 1 ATOM 1402 N ND1 . HIS A 1 192 ? -58.749 14.500 68.419 1.00 13.95 ? 183 HIS A ND1 1 ATOM 1403 C CD2 . HIS A 1 192 ? -59.571 14.289 66.407 1.00 14.47 ? 183 HIS A CD2 1 ATOM 1404 C CE1 . HIS A 1 192 ? -59.981 14.041 68.545 1.00 13.64 ? 183 HIS A CE1 1 ATOM 1405 N NE2 . HIS A 1 192 ? -60.501 13.904 67.339 1.00 13.40 ? 183 HIS A NE2 1 ATOM 1406 N N . HIS A 1 193 ? -59.279 17.662 65.494 1.00 17.69 ? 184 HIS A N 1 ATOM 1407 C CA . HIS A 1 193 ? -60.281 18.586 65.987 1.00 18.29 ? 184 HIS A CA 1 ATOM 1408 C C . HIS A 1 193 ? -61.363 17.781 66.689 1.00 18.91 ? 184 HIS A C 1 ATOM 1409 O O . HIS A 1 193 ? -62.253 17.239 66.022 1.00 18.86 ? 184 HIS A O 1 ATOM 1410 C CB . HIS A 1 193 ? -60.901 19.387 64.841 1.00 18.42 ? 184 HIS A CB 1 ATOM 1411 C CG . HIS A 1 193 ? -59.925 20.232 64.085 1.00 18.64 ? 184 HIS A CG 1 ATOM 1412 N ND1 . HIS A 1 193 ? -59.288 21.317 64.645 1.00 19.01 ? 184 HIS A ND1 1 ATOM 1413 C CD2 . HIS A 1 193 ? -59.492 20.162 62.804 1.00 18.74 ? 184 HIS A CD2 1 ATOM 1414 C CE1 . HIS A 1 193 ? -58.496 21.873 63.746 1.00 19.28 ? 184 HIS A CE1 1 ATOM 1415 N NE2 . HIS A 1 193 ? -58.601 21.191 62.620 1.00 19.28 ? 184 HIS A NE2 1 ATOM 1416 N N . PRO A 1 194 ? -61.302 17.704 68.038 1.00 19.53 ? 185 PRO A N 1 ATOM 1417 C CA . PRO A 1 194 ? -62.266 16.931 68.832 1.00 20.04 ? 185 PRO A CA 1 ATOM 1418 C C . PRO A 1 194 ? -63.634 17.603 68.811 1.00 20.75 ? 185 PRO A C 1 ATOM 1419 O O . PRO A 1 194 ? -63.775 18.667 68.207 1.00 20.70 ? 185 PRO A O 1 ATOM 1420 C CB . PRO A 1 194 ? -61.663 16.963 70.233 1.00 19.86 ? 185 PRO A CB 1 ATOM 1421 C CG . PRO A 1 194 ? -60.896 18.221 70.277 1.00 19.65 ? 185 PRO A CG 1 ATOM 1422 C CD . PRO A 1 194 ? -60.383 18.472 68.898 1.00 19.43 ? 185 PRO A CD 1 ATOM 1423 N N . ASN A 1 195 ? -64.639 17.008 69.446 1.00 21.79 ? 186 ASN A N 1 ATOM 1424 C CA . ASN A 1 195 ? -65.975 17.611 69.357 1.00 22.99 ? 186 ASN A CA 1 ATOM 1425 C C . ASN A 1 195 ? -66.589 18.178 70.635 1.00 23.21 ? 186 ASN A C 1 ATOM 1426 O O . ASN A 1 195 ? -67.594 18.884 70.568 1.00 23.56 ? 186 ASN A O 1 ATOM 1427 C CB . ASN A 1 195 ? -66.959 16.732 68.572 1.00 23.38 ? 186 ASN A CB 1 ATOM 1428 C CG . ASN A 1 195 ? -67.120 15.375 69.171 1.00 24.32 ? 186 ASN A CG 1 ATOM 1429 O OD1 . ASN A 1 195 ? -67.839 15.210 70.157 1.00 26.75 ? 186 ASN A OD1 1 ATOM 1430 N ND2 . ASN A 1 195 ? -66.468 14.378 68.573 1.00 24.29 ? 186 ASN A ND2 1 ATOM 1431 N N . ASP A 1 196 ? -65.983 17.893 71.781 1.00 23.50 ? 187 ASP A N 1 ATOM 1432 C CA . ASP A 1 196 ? -66.206 18.725 72.972 1.00 24.03 ? 187 ASP A CA 1 ATOM 1433 C C . ASP A 1 196 ? -64.985 18.806 73.900 1.00 23.74 ? 187 ASP A C 1 ATOM 1434 O O . ASP A 1 196 ? -63.975 18.130 73.679 1.00 23.61 ? 187 ASP A O 1 ATOM 1435 C CB . ASP A 1 196 ? -67.469 18.318 73.737 1.00 24.53 ? 187 ASP A CB 1 ATOM 1436 C CG . ASP A 1 196 ? -67.548 16.826 73.997 1.00 26.76 ? 187 ASP A CG 1 ATOM 1437 O OD1 . ASP A 1 196 ? -66.567 16.234 74.525 1.00 28.43 ? 187 ASP A OD1 1 ATOM 1438 O OD2 . ASP A 1 196 ? -68.615 16.251 73.679 1.00 29.45 ? 187 ASP A OD2 1 ATOM 1439 N N . ALA A 1 197 ? -65.095 19.644 74.929 1.00 23.38 ? 188 ALA A N 1 ATOM 1440 C CA . ALA A 1 197 ? -64.029 19.849 75.899 1.00 22.98 ? 188 ALA A CA 1 ATOM 1441 C C . ALA A 1 197 ? -63.726 18.572 76.675 1.00 23.11 ? 188 ALA A C 1 ATOM 1442 O O . ALA A 1 197 ? -62.594 18.370 77.143 1.00 22.92 ? 188 ALA A O 1 ATOM 1443 C CB . ALA A 1 197 ? -64.413 20.948 76.848 1.00 22.84 ? 188 ALA A CB 1 ATOM 1444 N N . ALA A 1 198 ? -64.746 17.722 76.815 1.00 23.15 ? 189 ALA A N 1 ATOM 1445 C CA . ALA A 1 198 ? -64.631 16.490 77.585 1.00 23.02 ? 189 ALA A CA 1 ATOM 1446 C C . ALA A 1 198 ? -63.703 15.531 76.860 1.00 23.25 ? 189 ALA A C 1 ATOM 1447 O O . ALA A 1 198 ? -62.814 14.929 77.473 1.00 23.48 ? 189 ALA A O 1 ATOM 1448 C CB . ALA A 1 198 ? -65.986 15.870 77.796 1.00 22.78 ? 189 ALA A CB 1 ATOM 1449 N N . GLU A 1 199 ? -63.906 15.413 75.549 1.00 23.19 ? 190 GLU A N 1 ATOM 1450 C CA . GLU A 1 199 ? -63.080 14.564 74.708 1.00 23.08 ? 190 GLU A CA 1 ATOM 1451 C C . GLU A 1 199 ? -61.639 15.069 74.690 1.00 22.91 ? 190 GLU A C 1 ATOM 1452 O O . GLU A 1 199 ? -60.697 14.269 74.690 1.00 23.19 ? 190 GLU A O 1 ATOM 1453 C CB . GLU A 1 199 ? -63.656 14.511 73.296 1.00 23.19 ? 190 GLU A CB 1 ATOM 1454 C CG . GLU A 1 199 ? -62.933 13.564 72.353 1.00 24.22 ? 190 GLU A CG 1 ATOM 1455 C CD . GLU A 1 199 ? -63.662 13.382 71.032 1.00 26.34 ? 190 GLU A CD 1 ATOM 1456 O OE1 . GLU A 1 199 ? -63.960 12.217 70.696 1.00 27.67 ? 190 GLU A OE1 1 ATOM 1457 O OE2 . GLU A 1 199 ? -63.946 14.387 70.332 1.00 27.04 ? 190 GLU A OE2 1 ATOM 1458 N N . GLN A 1 200 ? -61.477 16.394 74.682 1.00 22.46 ? 191 GLN A N 1 ATOM 1459 C CA . GLN A 1 200 ? -60.162 17.030 74.705 1.00 21.88 ? 191 GLN A CA 1 ATOM 1460 C C . GLN A 1 200 ? -59.359 16.587 75.926 1.00 22.07 ? 191 GLN A C 1 ATOM 1461 O O . GLN A 1 200 ? -58.215 16.153 75.792 1.00 22.21 ? 191 GLN A O 1 ATOM 1462 C CB . GLN A 1 200 ? -60.299 18.557 74.647 1.00 21.56 ? 191 GLN A CB 1 ATOM 1463 C CG . GLN A 1 200 ? -58.998 19.348 74.755 1.00 20.52 ? 191 GLN A CG 1 ATOM 1464 C CD . GLN A 1 200 ? -58.030 19.095 73.609 1.00 19.65 ? 191 GLN A CD 1 ATOM 1465 O OE1 . GLN A 1 200 ? -58.421 19.060 72.444 1.00 19.57 ? 191 GLN A OE1 1 ATOM 1466 N NE2 . GLN A 1 200 ? -56.757 18.929 73.939 1.00 18.82 ? 191 GLN A NE2 1 ATOM 1467 N N . THR A 1 201 ? -59.965 16.670 77.109 1.00 22.22 ? 192 THR A N 1 ATOM 1468 C CA . THR A 1 201 ? -59.291 16.248 78.346 1.00 22.40 ? 192 THR A CA 1 ATOM 1469 C C . THR A 1 201 ? -59.201 14.730 78.460 1.00 22.33 ? 192 THR A C 1 ATOM 1470 O O . THR A 1 201 ? -58.201 14.205 78.955 1.00 22.39 ? 192 THR A O 1 ATOM 1471 C CB . THR A 1 201 ? -59.945 16.843 79.611 1.00 22.37 ? 192 THR A CB 1 ATOM 1472 O OG1 . THR A 1 201 ? -61.367 16.835 79.460 1.00 22.94 ? 192 THR A OG1 1 ATOM 1473 C CG2 . THR A 1 201 ? -59.492 18.283 79.820 1.00 22.68 ? 192 THR A CG2 1 ATOM 1474 N N . LYS A 1 202 ? -60.232 14.030 77.989 1.00 22.29 ? 193 LYS A N 1 ATOM 1475 C CA . LYS A 1 202 ? -60.201 12.571 77.951 1.00 22.30 ? 193 LYS A CA 1 ATOM 1476 C C . LYS A 1 202 ? -58.968 12.091 77.203 1.00 22.25 ? 193 LYS A C 1 ATOM 1477 O O . LYS A 1 202 ? -58.217 11.267 77.713 1.00 22.35 ? 193 LYS A O 1 ATOM 1478 C CB . LYS A 1 202 ? -61.451 11.993 77.291 1.00 22.32 ? 193 LYS A CB 1 ATOM 1479 C CG . LYS A 1 202 ? -61.651 10.493 77.541 1.00 22.61 ? 193 LYS A CG 1 ATOM 1480 C CD . LYS A 1 202 ? -62.360 9.796 76.376 1.00 24.67 ? 193 LYS A CD 1 ATOM 1481 C CE . LYS A 1 202 ? -63.779 10.342 76.112 1.00 25.78 ? 193 LYS A CE 1 ATOM 1482 N NZ . LYS A 1 202 ? -64.181 10.151 74.679 1.00 26.03 ? 193 LYS A NZ 1 ATOM 1483 N N . LEU A 1 203 ? -58.755 12.629 76.004 1.00 22.21 ? 194 LEU A N 1 ATOM 1484 C CA . LEU A 1 203 ? -57.669 12.170 75.141 1.00 21.93 ? 194 LEU A CA 1 ATOM 1485 C C . LEU A 1 203 ? -56.318 12.799 75.462 1.00 22.01 ? 194 LEU A C 1 ATOM 1486 O O . LEU A 1 203 ? -55.299 12.101 75.501 1.00 22.08 ? 194 LEU A O 1 ATOM 1487 C CB . LEU A 1 203 ? -58.012 12.394 73.666 1.00 21.71 ? 194 LEU A CB 1 ATOM 1488 C CG . LEU A 1 203 ? -59.192 11.665 73.026 1.00 20.92 ? 194 LEU A CG 1 ATOM 1489 C CD1 . LEU A 1 203 ? -59.143 11.896 71.543 1.00 20.78 ? 194 LEU A CD1 1 ATOM 1490 C CD2 . LEU A 1 203 ? -59.157 10.182 73.308 1.00 20.89 ? 194 LEU A CD2 1 ATOM 1491 N N . TYR A 1 204 ? -56.311 14.109 75.698 1.00 21.96 ? 195 TYR A N 1 ATOM 1492 C CA . TYR A 1 204 ? -55.055 14.857 75.745 1.00 21.96 ? 195 TYR A CA 1 ATOM 1493 C C . TYR A 1 204 ? -54.762 15.530 77.081 1.00 22.40 ? 195 TYR A C 1 ATOM 1494 O O . TYR A 1 204 ? -53.747 16.220 77.208 1.00 22.56 ? 195 TYR A O 1 ATOM 1495 C CB . TYR A 1 204 ? -55.003 15.886 74.609 1.00 21.55 ? 195 TYR A CB 1 ATOM 1496 C CG . TYR A 1 204 ? -55.461 15.336 73.280 1.00 20.44 ? 195 TYR A CG 1 ATOM 1497 C CD1 . TYR A 1 204 ? -54.711 14.368 72.605 1.00 19.33 ? 195 TYR A CD1 1 ATOM 1498 C CD2 . TYR A 1 204 ? -56.647 15.777 72.698 1.00 19.22 ? 195 TYR A CD2 1 ATOM 1499 C CE1 . TYR A 1 204 ? -55.135 13.859 71.383 1.00 18.83 ? 195 TYR A CE1 1 ATOM 1500 C CE2 . TYR A 1 204 ? -57.080 15.274 71.481 1.00 18.60 ? 195 TYR A CE2 1 ATOM 1501 C CZ . TYR A 1 204 ? -56.322 14.317 70.830 1.00 18.51 ? 195 TYR A CZ 1 ATOM 1502 O OH . TYR A 1 204 ? -56.760 13.815 69.632 1.00 18.08 ? 195 TYR A OH 1 ATOM 1503 N N . GLN A 1 205 ? -55.659 15.339 78.047 1.00 22.68 ? 196 GLN A N 1 ATOM 1504 C CA . GLN A 1 205 ? -55.505 15.882 79.395 1.00 22.98 ? 196 GLN A CA 1 ATOM 1505 C C . GLN A 1 205 ? -55.592 17.407 79.443 1.00 22.95 ? 196 GLN A C 1 ATOM 1506 O O . GLN A 1 205 ? -56.441 17.974 80.130 1.00 23.03 ? 196 GLN A O 1 ATOM 1507 C CB . GLN A 1 205 ? -54.184 15.415 80.010 1.00 23.15 ? 196 GLN A CB 1 ATOM 1508 C CG . GLN A 1 205 ? -54.109 15.581 81.519 1.00 24.44 ? 196 GLN A CG 1 ATOM 1509 C CD . GLN A 1 205 ? -55.172 14.782 82.247 1.00 26.16 ? 196 GLN A CD 1 ATOM 1510 O OE1 . GLN A 1 205 ? -55.416 13.618 81.930 1.00 26.77 ? 196 GLN A OE1 1 ATOM 1511 N NE2 . GLN A 1 205 ? -55.812 15.406 83.229 1.00 26.53 ? 196 GLN A NE2 1 ATOM 1512 N N . ASN A 1 206 ? -54.697 18.057 78.710 1.00 22.86 ? 197 ASN A N 1 ATOM 1513 C CA . ASN A 1 206 ? -54.568 19.504 78.711 1.00 22.69 ? 197 ASN A CA 1 ATOM 1514 C C . ASN A 1 206 ? -55.749 20.140 78.016 1.00 22.82 ? 197 ASN A C 1 ATOM 1515 O O . ASN A 1 206 ? -56.095 19.747 76.902 1.00 22.96 ? 197 ASN A O 1 ATOM 1516 C CB . ASN A 1 206 ? -53.284 19.917 78.006 1.00 22.59 ? 197 ASN A CB 1 ATOM 1517 C CG . ASN A 1 206 ? -52.099 19.068 78.405 1.00 22.77 ? 197 ASN A CG 1 ATOM 1518 O OD1 . ASN A 1 206 ? -51.993 18.617 79.545 1.00 23.68 ? 197 ASN A OD1 1 ATOM 1519 N ND2 . ASN A 1 206 ? -51.192 18.845 77.463 1.00 23.04 ? 197 ASN A ND2 1 ATOM 1520 N N . PRO A 1 207 ? -56.379 21.128 78.666 1.00 22.94 ? 198 PRO A N 1 ATOM 1521 C CA . PRO A 1 207 ? -57.569 21.729 78.066 1.00 22.85 ? 198 PRO A CA 1 ATOM 1522 C C . PRO A 1 207 ? -57.216 22.621 76.883 1.00 22.76 ? 198 PRO A C 1 ATOM 1523 O O . PRO A 1 207 ? -58.013 22.735 75.958 1.00 22.85 ? 198 PRO A O 1 ATOM 1524 C CB . PRO A 1 207 ? -58.175 22.562 79.205 1.00 22.85 ? 198 PRO A CB 1 ATOM 1525 C CG . PRO A 1 207 ? -57.260 22.373 80.409 1.00 23.15 ? 198 PRO A CG 1 ATOM 1526 C CD . PRO A 1 207 ? -55.973 21.810 79.906 1.00 22.92 ? 198 PRO A CD 1 ATOM 1527 N N . THR A 1 208 ? -56.029 23.234 76.914 1.00 22.66 ? 199 THR A N 1 ATOM 1528 C CA . THR A 1 208 ? -55.601 24.178 75.877 1.00 22.43 ? 199 THR A CA 1 ATOM 1529 C C . THR A 1 208 ? -54.323 23.716 75.196 1.00 22.06 ? 199 THR A C 1 ATOM 1530 O O . THR A 1 208 ? -53.254 23.672 75.816 1.00 22.18 ? 199 THR A O 1 ATOM 1531 C CB . THR A 1 208 ? -55.430 25.592 76.451 1.00 22.39 ? 199 THR A CB 1 ATOM 1532 O OG1 . THR A 1 208 ? -56.722 26.109 76.764 1.00 23.05 ? 199 THR A OG1 1 ATOM 1533 C CG2 . THR A 1 208 ? -54.778 26.530 75.440 1.00 22.80 ? 199 THR A CG2 1 ATOM 1534 N N . THR A 1 209 ? -54.440 23.375 73.918 1.00 21.40 ? 200 THR A N 1 ATOM 1535 C CA . THR A 1 209 ? -53.326 22.782 73.199 1.00 20.77 ? 200 THR A CA 1 ATOM 1536 C C . THR A 1 209 ? -52.944 23.577 71.964 1.00 20.82 ? 200 THR A C 1 ATOM 1537 O O . THR A 1 209 ? -53.720 24.389 71.461 1.00 21.10 ? 200 THR A O 1 ATOM 1538 C CB . THR A 1 209 ? -53.605 21.311 72.803 1.00 20.73 ? 200 THR A CB 1 ATOM 1539 O OG1 . THR A 1 209 ? -54.799 21.235 72.014 1.00 19.66 ? 200 THR A OG1 1 ATOM 1540 C CG2 . THR A 1 209 ? -53.756 20.447 74.038 1.00 20.08 ? 200 THR A CG2 1 ATOM 1541 N N . TYR A 1 210 ? -51.735 23.327 71.484 1.00 20.58 ? 201 TYR A N 1 ATOM 1542 C CA . TYR A 1 210 ? -51.204 23.975 70.301 1.00 20.46 ? 201 TYR A CA 1 ATOM 1543 C C . TYR A 1 210 ? -50.311 22.966 69.592 1.00 20.24 ? 201 TYR A C 1 ATOM 1544 O O . TYR A 1 210 ? -49.926 21.955 70.182 1.00 20.50 ? 201 TYR A O 1 ATOM 1545 C CB . TYR A 1 210 ? -50.392 25.216 70.710 1.00 20.47 ? 201 TYR A CB 1 ATOM 1546 C CG . TYR A 1 210 ? -49.132 24.896 71.493 1.00 21.04 ? 201 TYR A CG 1 ATOM 1547 C CD1 . TYR A 1 210 ? -47.906 24.744 70.838 1.00 22.22 ? 201 TYR A CD1 1 ATOM 1548 C CD2 . TYR A 1 210 ? -49.159 24.735 72.883 1.00 20.92 ? 201 TYR A CD2 1 ATOM 1549 C CE1 . TYR A 1 210 ? -46.734 24.439 71.542 1.00 22.91 ? 201 TYR A CE1 1 ATOM 1550 C CE2 . TYR A 1 210 ? -47.996 24.427 73.600 1.00 21.67 ? 201 TYR A CE2 1 ATOM 1551 C CZ . TYR A 1 210 ? -46.783 24.283 72.921 1.00 22.79 ? 201 TYR A CZ 1 ATOM 1552 O OH . TYR A 1 210 ? -45.615 23.983 73.595 1.00 22.49 ? 201 TYR A OH 1 ATOM 1553 N N . ILE A 1 211 ? -49.988 23.227 68.331 1.00 19.86 ? 202 ILE A N 1 ATOM 1554 C CA . ILE A 1 211 ? -48.939 22.481 67.635 1.00 19.57 ? 202 ILE A CA 1 ATOM 1555 C C . ILE A 1 211 ? -48.125 23.491 66.855 1.00 19.52 ? 202 ILE A C 1 ATOM 1556 O O . ILE A 1 211 ? -48.641 24.101 65.920 1.00 19.69 ? 202 ILE A O 1 ATOM 1557 C CB . ILE A 1 211 ? -49.495 21.448 66.623 1.00 19.47 ? 202 ILE A CB 1 ATOM 1558 C CG1 . ILE A 1 211 ? -50.540 20.537 67.258 1.00 19.58 ? 202 ILE A CG1 1 ATOM 1559 C CG2 . ILE A 1 211 ? -48.372 20.612 66.042 1.00 19.16 ? 202 ILE A CG2 1 ATOM 1560 C CD1 . ILE A 1 211 ? -51.297 19.725 66.250 1.00 20.07 ? 202 ILE A CD1 1 ATOM 1561 N N . SER A 1 212 ? -46.869 23.688 67.237 1.00 19.25 ? 203 SER A N 1 ATOM 1562 C CA . SER A 1 212 ? -46.015 24.602 66.495 1.00 19.29 ? 203 SER A CA 1 ATOM 1563 C C . SER A 1 212 ? -45.044 23.817 65.639 1.00 19.34 ? 203 SER A C 1 ATOM 1564 O O . SER A 1 212 ? -44.463 22.834 66.088 1.00 19.78 ? 203 SER A O 1 ATOM 1565 C CB . SER A 1 212 ? -45.297 25.592 67.418 1.00 19.23 ? 203 SER A CB 1 ATOM 1566 O OG . SER A 1 212 ? -44.385 24.951 68.296 1.00 19.91 ? 203 SER A OG 1 ATOM 1567 N N . VAL A 1 213 ? -44.893 24.239 64.392 1.00 19.43 ? 204 VAL A N 1 ATOM 1568 C CA . VAL A 1 213 ? -44.044 23.539 63.434 1.00 19.57 ? 204 VAL A CA 1 ATOM 1569 C C . VAL A 1 213 ? -43.185 24.555 62.707 1.00 19.61 ? 204 VAL A C 1 ATOM 1570 O O . VAL A 1 213 ? -43.696 25.553 62.196 1.00 19.64 ? 204 VAL A O 1 ATOM 1571 C CB . VAL A 1 213 ? -44.884 22.751 62.404 1.00 19.62 ? 204 VAL A CB 1 ATOM 1572 C CG1 . VAL A 1 213 ? -43.987 22.061 61.378 1.00 19.54 ? 204 VAL A CG1 1 ATOM 1573 C CG2 . VAL A 1 213 ? -45.778 21.733 63.105 1.00 19.89 ? 204 VAL A CG2 1 ATOM 1574 N N . GLY A 1 214 ? -41.882 24.299 62.656 1.00 19.67 ? 205 GLY A N 1 ATOM 1575 C CA . GLY A 1 214 ? -40.964 25.241 62.037 1.00 19.89 ? 205 GLY A CA 1 ATOM 1576 C C . GLY A 1 214 ? -39.806 24.619 61.292 1.00 20.09 ? 205 GLY A C 1 ATOM 1577 O O . GLY A 1 214 ? -39.170 23.678 61.774 1.00 20.27 ? 205 GLY A O 1 ATOM 1578 N N . THR A 1 215 ? -39.552 25.148 60.098 1.00 20.09 ? 206 THR A N 1 ATOM 1579 C CA . THR A 1 215 ? -38.345 24.848 59.336 1.00 20.03 ? 206 THR A CA 1 ATOM 1580 C C . THR A 1 215 ? -37.627 26.176 59.145 1.00 20.01 ? 206 THR A C 1 ATOM 1581 O O . THR A 1 215 ? -37.854 27.114 59.909 1.00 20.30 ? 206 THR A O 1 ATOM 1582 C CB . THR A 1 215 ? -38.679 24.227 57.967 1.00 20.01 ? 206 THR A CB 1 ATOM 1583 O OG1 . THR A 1 215 ? -39.390 25.180 57.166 1.00 20.11 ? 206 THR A OG1 1 ATOM 1584 C CG2 . THR A 1 215 ? -39.524 22.978 58.133 1.00 19.86 ? 206 THR A CG2 1 ATOM 1585 N N . SER A 1 216 ? -36.777 26.278 58.130 1.00 19.90 ? 207 SER A N 1 ATOM 1586 C CA . SER A 1 216 ? -36.178 27.568 57.795 1.00 19.69 ? 207 SER A CA 1 ATOM 1587 C C . SER A 1 216 ? -37.178 28.503 57.099 1.00 19.80 ? 207 SER A C 1 ATOM 1588 O O . SER A 1 216 ? -36.960 29.715 57.040 1.00 19.81 ? 207 SER A O 1 ATOM 1589 C CB . SER A 1 216 ? -34.923 27.389 56.942 1.00 19.51 ? 207 SER A CB 1 ATOM 1590 O OG . SER A 1 216 ? -35.260 27.187 55.587 1.00 18.50 ? 207 SER A OG 1 ATOM 1591 N N . THR A 1 217 ? -38.268 27.941 56.578 1.00 19.83 ? 208 THR A N 1 ATOM 1592 C CA . THR A 1 217 ? -39.262 28.736 55.848 1.00 20.07 ? 208 THR A CA 1 ATOM 1593 C C . THR A 1 217 ? -40.645 28.669 56.477 1.00 20.08 ? 208 THR A C 1 ATOM 1594 O O . THR A 1 217 ? -41.456 29.583 56.300 1.00 20.12 ? 208 THR A O 1 ATOM 1595 C CB . THR A 1 217 ? -39.420 28.305 54.370 1.00 20.11 ? 208 THR A CB 1 ATOM 1596 O OG1 . THR A 1 217 ? -40.101 27.042 54.306 1.00 20.48 ? 208 THR A OG1 1 ATOM 1597 C CG2 . THR A 1 217 ? -38.073 28.223 53.652 1.00 19.99 ? 208 THR A CG2 1 ATOM 1598 N N . LEU A 1 218 ? -40.920 27.581 57.187 1.00 20.00 ? 209 LEU A N 1 ATOM 1599 C CA . LEU A 1 218 ? -42.242 27.382 57.766 1.00 20.14 ? 209 LEU A CA 1 ATOM 1600 C C . LEU A 1 218 ? -42.317 27.950 59.177 1.00 20.32 ? 209 LEU A C 1 ATOM 1601 O O . LEU A 1 218 ? -41.405 27.752 59.982 1.00 20.68 ? 209 LEU A O 1 ATOM 1602 C CB . LEU A 1 218 ? -42.606 25.898 57.766 1.00 20.13 ? 209 LEU A CB 1 ATOM 1603 C CG . LEU A 1 218 ? -43.992 25.444 58.218 1.00 19.85 ? 209 LEU A CG 1 ATOM 1604 C CD1 . LEU A 1 218 ? -45.093 26.111 57.405 1.00 20.54 ? 209 LEU A CD1 1 ATOM 1605 C CD2 . LEU A 1 218 ? -44.070 23.949 58.093 1.00 19.08 ? 209 LEU A CD2 1 ATOM 1606 N N . ASN A 1 219 ? -43.407 28.654 59.469 1.00 20.21 ? 210 ASN A N 1 ATOM 1607 C CA . ASN A 1 219 ? -43.623 29.226 60.787 1.00 20.01 ? 210 ASN A CA 1 ATOM 1608 C C . ASN A 1 219 ? -45.075 29.004 61.199 1.00 20.16 ? 210 ASN A C 1 ATOM 1609 O O . ASN A 1 219 ? -45.939 29.865 61.016 1.00 20.05 ? 210 ASN A O 1 ATOM 1610 C CB . ASN A 1 219 ? -43.247 30.705 60.775 1.00 19.92 ? 210 ASN A CB 1 ATOM 1611 C CG . ASN A 1 219 ? -43.392 31.360 62.127 1.00 20.02 ? 210 ASN A CG 1 ATOM 1612 O OD1 . ASN A 1 219 ? -43.464 30.691 63.158 1.00 20.12 ? 210 ASN A OD1 1 ATOM 1613 N ND2 . ASN A 1 219 ? -43.434 32.685 62.130 1.00 20.64 ? 210 ASN A ND2 1 ATOM 1614 N N . GLN A 1 220 ? -45.335 27.832 61.763 1.00 20.38 ? 211 GLN A N 1 ATOM 1615 C CA . GLN A 1 220 ? -46.699 27.382 61.963 1.00 20.64 ? 211 GLN A CA 1 ATOM 1616 C C . GLN A 1 220 ? -47.062 27.218 63.425 1.00 20.92 ? 211 GLN A C 1 ATOM 1617 O O . GLN A 1 220 ? -46.237 26.836 64.243 1.00 20.86 ? 211 GLN A O 1 ATOM 1618 C CB . GLN A 1 220 ? -46.920 26.067 61.229 1.00 20.59 ? 211 GLN A CB 1 ATOM 1619 C CG . GLN A 1 220 ? -48.371 25.727 61.019 1.00 20.70 ? 211 GLN A CG 1 ATOM 1620 C CD . GLN A 1 220 ? -48.554 24.390 60.360 1.00 21.14 ? 211 GLN A CD 1 ATOM 1621 O OE1 . GLN A 1 220 ? -48.850 24.319 59.165 1.00 21.45 ? 211 GLN A OE1 1 ATOM 1622 N NE2 . GLN A 1 220 ? -48.361 23.311 61.125 1.00 20.68 ? 211 GLN A NE2 1 ATOM 1623 N N . ARG A 1 221 ? -48.316 27.524 63.729 1.00 21.54 ? 212 ARG A N 1 ATOM 1624 C CA . ARG A 1 221 ? -48.894 27.335 65.045 1.00 22.23 ? 212 ARG A CA 1 ATOM 1625 C C . ARG A 1 221 ? -50.341 26.971 64.796 1.00 22.14 ? 212 ARG A C 1 ATOM 1626 O O . ARG A 1 221 ? -51.122 27.813 64.349 1.00 22.60 ? 212 ARG A O 1 ATOM 1627 C CB . ARG A 1 221 ? -48.831 28.631 65.846 1.00 22.66 ? 212 ARG A CB 1 ATOM 1628 C CG . ARG A 1 221 ? -49.305 28.515 67.284 1.00 24.63 ? 212 ARG A CG 1 ATOM 1629 C CD . ARG A 1 221 ? -48.129 28.298 68.233 1.00 28.31 ? 212 ARG A CD 1 ATOM 1630 N NE . ARG A 1 221 ? -48.518 28.551 69.623 1.00 31.33 ? 212 ARG A NE 1 ATOM 1631 C CZ . ARG A 1 221 ? -47.750 28.320 70.691 1.00 32.25 ? 212 ARG A CZ 1 ATOM 1632 N NH1 . ARG A 1 221 ? -46.519 27.823 70.560 1.00 31.80 ? 212 ARG A NH1 1 ATOM 1633 N NH2 . ARG A 1 221 ? -48.225 28.586 71.904 1.00 32.70 ? 212 ARG A NH2 1 ATOM 1634 N N . LEU A 1 222 ? -50.694 25.719 65.057 1.00 21.75 ? 213 LEU A N 1 ATOM 1635 C CA . LEU A 1 222 ? -52.055 25.271 64.839 1.00 21.39 ? 213 LEU A CA 1 ATOM 1636 C C . LEU A 1 222 ? -52.730 25.137 66.178 1.00 21.35 ? 213 LEU A C 1 ATOM 1637 O O . LEU A 1 222 ? -52.092 24.751 67.160 1.00 21.35 ? 213 LEU A O 1 ATOM 1638 C CB . LEU A 1 222 ? -52.073 23.934 64.101 1.00 21.37 ? 213 LEU A CB 1 ATOM 1639 C CG . LEU A 1 222 ? -51.309 23.830 62.776 1.00 21.05 ? 213 LEU A CG 1 ATOM 1640 C CD1 . LEU A 1 222 ? -51.194 22.378 62.366 1.00 20.89 ? 213 LEU A CD1 1 ATOM 1641 C CD2 . LEU A 1 222 ? -51.947 24.658 61.674 1.00 19.98 ? 213 LEU A CD2 1 ATOM 1642 N N . VAL A 1 223 ? -54.015 25.477 66.223 1.00 21.38 ? 214 VAL A N 1 ATOM 1643 C CA . VAL A 1 223 ? -54.808 25.355 67.451 1.00 21.44 ? 214 VAL A CA 1 ATOM 1644 C C . VAL A 1 223 ? -56.139 24.674 67.121 1.00 21.49 ? 214 VAL A C 1 ATOM 1645 O O . VAL A 1 223 ? -56.846 25.112 66.210 1.00 21.50 ? 214 VAL A O 1 ATOM 1646 C CB . VAL A 1 223 ? -55.036 26.726 68.154 1.00 21.29 ? 214 VAL A CB 1 ATOM 1647 C CG1 . VAL A 1 223 ? -55.681 26.532 69.513 1.00 21.45 ? 214 VAL A CG1 1 ATOM 1648 C CG2 . VAL A 1 223 ? -53.727 27.466 68.329 1.00 21.04 ? 214 VAL A CG2 1 ATOM 1649 N N . PRO A 1 224 ? -56.477 23.595 67.857 1.00 21.50 ? 215 PRO A N 1 ATOM 1650 C CA . PRO A 1 224 ? -57.623 22.738 67.575 1.00 21.64 ? 215 PRO A CA 1 ATOM 1651 C C . PRO A 1 224 ? -58.936 23.481 67.640 1.00 21.93 ? 215 PRO A C 1 ATOM 1652 O O . PRO A 1 224 ? -59.097 24.355 68.478 1.00 22.22 ? 215 PRO A O 1 ATOM 1653 C CB . PRO A 1 224 ? -57.579 21.714 68.706 1.00 21.51 ? 215 PRO A CB 1 ATOM 1654 C CG . PRO A 1 224 ? -56.210 21.741 69.193 1.00 21.65 ? 215 PRO A CG 1 ATOM 1655 C CD . PRO A 1 224 ? -55.752 23.138 69.052 1.00 21.54 ? 215 PRO A CD 1 ATOM 1656 N N . LYS A 1 225 ? -59.864 23.122 66.766 1.00 22.37 ? 216 LYS A N 1 ATOM 1657 C CA . LYS A 1 225 ? -61.182 23.729 66.743 1.00 23.19 ? 216 LYS A CA 1 ATOM 1658 C C . LYS A 1 225 ? -62.239 22.776 67.285 1.00 23.39 ? 216 LYS A C 1 ATOM 1659 O O . LYS A 1 225 ? -62.562 21.772 66.647 1.00 23.58 ? 216 LYS A O 1 ATOM 1660 C CB . LYS A 1 225 ? -61.552 24.128 65.315 1.00 23.41 ? 216 LYS A CB 1 ATOM 1661 C CG . LYS A 1 225 ? -60.724 25.255 64.754 1.00 25.22 ? 216 LYS A CG 1 ATOM 1662 C CD . LYS A 1 225 ? -61.044 25.488 63.293 1.00 28.23 ? 216 LYS A CD 1 ATOM 1663 C CE . LYS A 1 225 ? -60.012 26.408 62.668 1.00 30.35 ? 216 LYS A CE 1 ATOM 1664 N NZ . LYS A 1 225 ? -60.539 26.976 61.404 1.00 33.13 ? 216 LYS A NZ 1 ATOM 1665 N N . ILE A 1 226 ? -62.790 23.088 68.452 1.00 23.58 ? 217 ILE A N 1 ATOM 1666 C CA . ILE A 1 226 ? -63.897 22.289 68.974 1.00 23.71 ? 217 ILE A CA 1 ATOM 1667 C C . ILE A 1 226 ? -65.236 22.769 68.416 1.00 24.02 ? 217 ILE A C 1 ATOM 1668 O O . ILE A 1 226 ? -65.565 23.952 68.482 1.00 24.48 ? 217 ILE A O 1 ATOM 1669 C CB . ILE A 1 226 ? -63.913 22.250 70.494 1.00 23.43 ? 217 ILE A CB 1 ATOM 1670 C CG1 . ILE A 1 226 ? -62.688 21.476 70.987 1.00 23.63 ? 217 ILE A CG1 1 ATOM 1671 C CG2 . ILE A 1 226 ? -65.173 21.578 70.966 1.00 23.19 ? 217 ILE A CG2 1 ATOM 1672 C CD1 . ILE A 1 226 ? -62.298 21.745 72.423 1.00 24.05 ? 217 ILE A CD1 1 ATOM 1673 N N . ALA A 1 227 ? -65.992 21.835 67.852 1.00 24.18 ? 218 ALA A N 1 ATOM 1674 C CA . ALA A 1 227 ? -67.259 22.133 67.194 1.00 24.15 ? 218 ALA A CA 1 ATOM 1675 C C . ALA A 1 227 ? -68.171 20.910 67.184 1.00 24.13 ? 218 ALA A C 1 ATOM 1676 O O . ALA A 1 227 ? -67.711 19.757 67.240 1.00 24.15 ? 218 ALA A O 1 ATOM 1677 C CB . ALA A 1 227 ? -67.029 22.633 65.765 1.00 24.00 ? 218 ALA A CB 1 ATOM 1678 N N . THR A 1 228 ? -69.468 21.181 67.113 1.00 23.80 ? 219 THR A N 1 ATOM 1679 C CA . THR A 1 228 ? -70.461 20.138 67.035 1.00 23.47 ? 219 THR A CA 1 ATOM 1680 C C . THR A 1 228 ? -70.771 19.919 65.566 1.00 23.20 ? 219 THR A C 1 ATOM 1681 O O . THR A 1 228 ? -71.244 20.821 64.875 1.00 23.33 ? 219 THR A O 1 ATOM 1682 C CB . THR A 1 228 ? -71.694 20.505 67.849 1.00 23.36 ? 219 THR A CB 1 ATOM 1683 O OG1 . THR A 1 228 ? -71.276 20.755 69.191 1.00 23.43 ? 219 THR A OG1 1 ATOM 1684 C CG2 . THR A 1 228 ? -72.709 19.369 67.848 1.00 23.58 ? 219 THR A CG2 1 ATOM 1685 N N . ARG A 1 229 ? -70.467 18.715 65.094 1.00 22.69 ? 220 ARG A N 1 ATOM 1686 C CA . ARG A 1 229 ? -70.493 18.422 63.674 1.00 22.13 ? 220 ARG A CA 1 ATOM 1687 C C . ARG A 1 229 ? -71.328 17.191 63.390 1.00 22.20 ? 220 ARG A C 1 ATOM 1688 O O . ARG A 1 229 ? -71.458 16.308 64.235 1.00 22.41 ? 220 ARG A O 1 ATOM 1689 C CB . ARG A 1 229 ? -69.069 18.206 63.175 1.00 21.81 ? 220 ARG A CB 1 ATOM 1690 C CG . ARG A 1 229 ? -68.069 19.208 63.744 1.00 20.94 ? 220 ARG A CG 1 ATOM 1691 C CD . ARG A 1 229 ? -66.686 18.978 63.192 1.00 18.39 ? 220 ARG A CD 1 ATOM 1692 N NE . ARG A 1 229 ? -65.707 19.889 63.766 1.00 16.65 ? 220 ARG A NE 1 ATOM 1693 C CZ . ARG A 1 229 ? -65.042 19.676 64.897 1.00 16.55 ? 220 ARG A CZ 1 ATOM 1694 N NH1 . ARG A 1 229 ? -65.252 18.578 65.609 1.00 16.93 ? 220 ARG A NH1 1 ATOM 1695 N NH2 . ARG A 1 229 ? -64.161 20.571 65.323 1.00 15.99 ? 220 ARG A NH2 1 ATOM 1696 N N . SER A 1 230 ? -71.901 17.145 62.195 1.00 22.05 ? 221 SER A N 1 ATOM 1697 C CA . SER A 1 230 ? -72.572 15.956 61.717 1.00 21.97 ? 221 SER A CA 1 ATOM 1698 C C . SER A 1 230 ? -71.557 14.830 61.660 1.00 21.83 ? 221 SER A C 1 ATOM 1699 O O . SER A 1 230 ? -70.377 15.059 61.400 1.00 21.76 ? 221 SER A O 1 ATOM 1700 C CB . SER A 1 230 ? -73.122 16.191 60.316 1.00 22.10 ? 221 SER A CB 1 ATOM 1701 O OG . SER A 1 230 ? -73.548 17.529 60.148 1.00 23.04 ? 221 SER A OG 1 ATOM 1702 N N . LYS A 1 231 ? -72.021 13.611 61.905 1.00 21.80 ? 222 LYS A N 1 ATOM 1703 C CA . LYS A 1 231 ? -71.165 12.442 61.807 1.00 21.72 ? 222 LYS A CA 1 ATOM 1704 C C . LYS A 1 231 ? -70.825 12.141 60.356 1.00 21.44 ? 222 LYS A C 1 ATOM 1705 O O . LYS A 1 231 ? -71.690 12.189 59.485 1.00 21.66 ? 222 LYS A O 1 ATOM 1706 C CB . LYS A 1 231 ? -71.831 11.232 62.466 1.00 21.81 ? 222 LYS A CB 1 ATOM 1707 C CG . LYS A 1 231 ? -71.692 11.235 63.968 1.00 23.04 ? 222 LYS A CG 1 ATOM 1708 C CD . LYS A 1 231 ? -72.439 10.109 64.646 1.00 25.59 ? 222 LYS A CD 1 ATOM 1709 C CE . LYS A 1 231 ? -72.757 10.515 66.091 1.00 27.88 ? 222 LYS A CE 1 ATOM 1710 N NZ . LYS A 1 231 ? -72.726 9.375 67.067 1.00 29.06 ? 222 LYS A NZ 1 ATOM 1711 N N . VAL A 1 232 ? -69.552 11.872 60.095 1.00 21.07 ? 223 VAL A N 1 ATOM 1712 C CA . VAL A 1 232 ? -69.139 11.320 58.812 1.00 20.79 ? 223 VAL A CA 1 ATOM 1713 C C . VAL A 1 232 ? -68.336 10.066 59.115 1.00 20.74 ? 223 VAL A C 1 ATOM 1714 O O . VAL A 1 232 ? -67.416 10.086 59.945 1.00 20.58 ? 223 VAL A O 1 ATOM 1715 C CB . VAL A 1 232 ? -68.303 12.305 57.969 1.00 20.74 ? 223 VAL A CB 1 ATOM 1716 C CG1 . VAL A 1 232 ? -67.978 11.696 56.620 1.00 20.67 ? 223 VAL A CG1 1 ATOM 1717 C CG2 . VAL A 1 232 ? -69.037 13.623 57.778 1.00 20.91 ? 223 VAL A CG2 1 ATOM 1718 N N . ASN A 1 233 ? -68.704 8.977 58.443 1.00 20.58 ? 224 ASN A N 1 ATOM 1719 C CA . ASN A 1 233 ? -68.184 7.649 58.740 1.00 20.30 ? 224 ASN A CA 1 ATOM 1720 C C . ASN A 1 233 ? -68.298 7.369 60.239 1.00 20.10 ? 224 ASN A C 1 ATOM 1721 O O . ASN A 1 233 ? -67.383 6.811 60.852 1.00 20.35 ? 224 ASN A O 1 ATOM 1722 C CB . ASN A 1 233 ? -66.738 7.503 58.252 1.00 20.45 ? 224 ASN A CB 1 ATOM 1723 C CG . ASN A 1 233 ? -66.576 7.782 56.756 1.00 21.16 ? 224 ASN A CG 1 ATOM 1724 O OD1 . ASN A 1 233 ? -65.456 7.910 56.255 1.00 21.53 ? 224 ASN A OD1 1 ATOM 1725 N ND2 . ASN A 1 233 ? -67.690 7.866 56.040 1.00 22.73 ? 224 ASN A ND2 1 ATOM 1726 N N . GLY A 1 234 ? -69.423 7.782 60.826 1.00 19.64 ? 225 GLY A N 1 ATOM 1727 C CA . GLY A 1 234 ? -69.671 7.606 62.256 1.00 19.36 ? 225 GLY A CA 1 ATOM 1728 C C . GLY A 1 234 ? -68.726 8.354 63.186 1.00 19.28 ? 225 GLY A C 1 ATOM 1729 O O . GLY A 1 234 ? -68.599 8.006 64.355 1.00 19.54 ? 225 GLY A O 1 ATOM 1730 N N . GLN A 1 235 ? -68.048 9.374 62.671 1.00 19.02 ? 226 GLN A N 1 ATOM 1731 C CA . GLN A 1 235 ? -67.203 10.222 63.498 1.00 18.62 ? 226 GLN A CA 1 ATOM 1732 C C . GLN A 1 235 ? -67.578 11.676 63.294 1.00 18.41 ? 226 GLN A C 1 ATOM 1733 O O . GLN A 1 235 ? -67.812 12.111 62.165 1.00 18.32 ? 226 GLN A O 1 ATOM 1734 C CB . GLN A 1 235 ? -65.736 10.032 63.148 1.00 18.65 ? 226 GLN A CB 1 ATOM 1735 C CG . GLN A 1 235 ? -65.271 8.605 63.186 1.00 19.31 ? 226 GLN A CG 1 ATOM 1736 C CD . GLN A 1 235 ? -65.362 8.009 64.558 1.00 20.39 ? 226 GLN A CD 1 ATOM 1737 O OE1 . GLN A 1 235 ? -65.058 8.670 65.551 1.00 21.76 ? 226 GLN A OE1 1 ATOM 1738 N NE2 . GLN A 1 235 ? -65.771 6.746 64.630 1.00 20.33 ? 226 GLN A NE2 1 ATOM 1739 N N . SER A 1 236 ? -67.635 12.420 64.393 1.00 18.11 ? 227 SER A N 1 ATOM 1740 C CA . SER A 1 236 ? -67.939 13.839 64.337 1.00 17.90 ? 227 SER A CA 1 ATOM 1741 C C . SER A 1 236 ? -66.671 14.669 64.533 1.00 17.49 ? 227 SER A C 1 ATOM 1742 O O . SER A 1 236 ? -66.616 15.815 64.122 1.00 17.61 ? 227 SER A O 1 ATOM 1743 C CB . SER A 1 236 ? -69.014 14.214 65.360 1.00 17.97 ? 227 SER A CB 1 ATOM 1744 O OG . SER A 1 236 ? -68.430 14.528 66.615 1.00 18.88 ? 227 SER A OG 1 ATOM 1745 N N . GLY A 1 237 ? -65.650 14.089 65.149 1.00 17.14 ? 228 GLY A N 1 ATOM 1746 C CA . GLY A 1 237 ? -64.349 14.745 65.214 1.00 16.84 ? 228 GLY A CA 1 ATOM 1747 C C . GLY A 1 237 ? -63.703 14.825 63.840 1.00 16.66 ? 228 GLY A C 1 ATOM 1748 O O . GLY A 1 237 ? -64.171 14.203 62.884 1.00 16.75 ? 228 GLY A O 1 ATOM 1749 N N . ARG A 1 238 ? -62.619 15.583 63.732 1.00 16.40 ? 229 ARG A N 1 ATOM 1750 C CA . ARG A 1 238 ? -62.003 15.825 62.433 1.00 16.05 ? 229 ARG A CA 1 ATOM 1751 C C . ARG A 1 238 ? -60.490 15.765 62.476 1.00 16.06 ? 229 ARG A C 1 ATOM 1752 O O . ARG A 1 238 ? -59.877 16.055 63.503 1.00 16.26 ? 229 ARG A O 1 ATOM 1753 C CB . ARG A 1 238 ? -62.442 17.185 61.898 1.00 16.01 ? 229 ARG A CB 1 ATOM 1754 C CG . ARG A 1 238 ? -63.928 17.297 61.585 1.00 16.01 ? 229 ARG A CG 1 ATOM 1755 C CD . ARG A 1 238 ? -64.335 16.371 60.455 1.00 16.59 ? 229 ARG A CD 1 ATOM 1756 N NE . ARG A 1 238 ? -65.736 16.547 60.102 1.00 18.38 ? 229 ARG A NE 1 ATOM 1757 C CZ . ARG A 1 238 ? -66.747 15.870 60.642 1.00 19.37 ? 229 ARG A CZ 1 ATOM 1758 N NH1 . ARG A 1 238 ? -66.520 14.957 61.574 1.00 19.46 ? 229 ARG A NH1 1 ATOM 1759 N NH2 . ARG A 1 238 ? -67.994 16.107 60.247 1.00 19.92 ? 229 ARG A NH2 1 ATOM 1760 N N . MET A 1 239 ? -59.891 15.379 61.356 1.00 16.03 ? 230 MET A N 1 ATOM 1761 C CA . MET A 1 239 ? -58.438 15.435 61.198 1.00 16.10 ? 230 MET A CA 1 ATOM 1762 C C . MET A 1 239 ? -58.096 16.397 60.067 1.00 16.03 ? 230 MET A C 1 ATOM 1763 O O . MET A 1 239 ? -58.532 16.209 58.931 1.00 16.15 ? 230 MET A O 1 ATOM 1764 C CB . MET A 1 239 ? -57.857 14.056 60.882 1.00 16.05 ? 230 MET A CB 1 ATOM 1765 C CG . MET A 1 239 ? -58.229 12.964 61.871 1.00 16.78 ? 230 MET A CG 1 ATOM 1766 S SD . MET A 1 239 ? -57.210 12.939 63.348 1.00 17.85 ? 230 MET A SD 1 ATOM 1767 C CE . MET A 1 239 ? -58.231 11.962 64.422 1.00 17.47 ? 230 MET A CE 1 ATOM 1768 N N . GLU A 1 240 ? -57.329 17.433 60.374 1.00 15.68 ? 231 GLU A N 1 ATOM 1769 C CA . GLU A 1 240 ? -56.857 18.323 59.332 1.00 15.62 ? 231 GLU A CA 1 ATOM 1770 C C . GLU A 1 240 ? -55.350 18.153 59.151 1.00 15.17 ? 231 GLU A C 1 ATOM 1771 O O . GLU A 1 240 ? -54.589 18.233 60.118 1.00 15.02 ? 231 GLU A O 1 ATOM 1772 C CB . GLU A 1 240 ? -57.234 19.769 59.652 1.00 16.09 ? 231 GLU A CB 1 ATOM 1773 C CG . GLU A 1 240 ? -56.825 20.783 58.596 1.00 16.52 ? 231 GLU A CG 1 ATOM 1774 C CD . GLU A 1 240 ? -57.305 22.182 58.915 1.00 18.10 ? 231 GLU A CD 1 ATOM 1775 O OE1 . GLU A 1 240 ? -57.776 22.429 60.050 1.00 17.89 ? 231 GLU A OE1 1 ATOM 1776 O OE2 . GLU A 1 240 ? -57.210 23.043 58.016 1.00 20.30 ? 231 GLU A OE2 1 ATOM 1777 N N . PHE A 1 241 ? -54.935 17.913 57.909 1.00 14.55 ? 232 PHE A N 1 ATOM 1778 C CA . PHE A 1 241 ? -53.541 17.606 57.603 1.00 14.14 ? 232 PHE A CA 1 ATOM 1779 C C . PHE A 1 241 ? -52.810 18.741 56.923 1.00 13.87 ? 232 PHE A C 1 ATOM 1780 O O . PHE A 1 241 ? -53.394 19.524 56.177 1.00 13.41 ? 232 PHE A O 1 ATOM 1781 C CB . PHE A 1 241 ? -53.430 16.332 56.760 1.00 14.10 ? 232 PHE A CB 1 ATOM 1782 C CG . PHE A 1 241 ? -53.899 15.103 57.476 1.00 14.41 ? 232 PHE A CG 1 ATOM 1783 C CD1 . PHE A 1 241 ? -53.067 14.450 58.382 1.00 14.58 ? 232 PHE A CD1 1 ATOM 1784 C CD2 . PHE A 1 241 ? -55.180 14.610 57.271 1.00 14.39 ? 232 PHE A CD2 1 ATOM 1785 C CE1 . PHE A 1 241 ? -53.502 13.325 59.060 1.00 13.77 ? 232 PHE A CE1 1 ATOM 1786 C CE2 . PHE A 1 241 ? -55.620 13.486 57.946 1.00 14.00 ? 232 PHE A CE2 1 ATOM 1787 C CZ . PHE A 1 241 ? -54.779 12.845 58.839 1.00 13.86 ? 232 PHE A CZ 1 ATOM 1788 N N . PHE A 1 242 ? -51.514 18.800 57.198 1.00 13.87 ? 233 PHE A N 1 ATOM 1789 C CA . PHE A 1 242 ? -50.636 19.815 56.656 1.00 14.15 ? 233 PHE A CA 1 ATOM 1790 C C . PHE A 1 242 ? -49.387 19.174 56.093 1.00 14.40 ? 233 PHE A C 1 ATOM 1791 O O . PHE A 1 242 ? -48.978 18.099 56.532 1.00 14.69 ? 233 PHE A O 1 ATOM 1792 C CB . PHE A 1 242 ? -50.274 20.823 57.739 1.00 14.00 ? 233 PHE A CB 1 ATOM 1793 C CG . PHE A 1 242 ? -51.449 21.589 58.243 1.00 14.36 ? 233 PHE A CG 1 ATOM 1794 C CD1 . PHE A 1 242 ? -51.828 22.785 57.631 1.00 14.29 ? 233 PHE A CD1 1 ATOM 1795 C CD2 . PHE A 1 242 ? -52.208 21.102 59.308 1.00 14.52 ? 233 PHE A CD2 1 ATOM 1796 C CE1 . PHE A 1 242 ? -52.939 23.495 58.078 1.00 14.71 ? 233 PHE A CE1 1 ATOM 1797 C CE2 . PHE A 1 242 ? -53.319 21.799 59.766 1.00 15.32 ? 233 PHE A CE2 1 ATOM 1798 C CZ . PHE A 1 242 ? -53.688 23.004 59.148 1.00 15.56 ? 233 PHE A CZ 1 ATOM 1799 N N . TRP A 1 243 ? -48.788 19.830 55.110 1.00 14.51 ? 234 TRP A N 1 ATOM 1800 C CA . TRP A 1 243 ? -47.568 19.331 54.513 1.00 14.66 ? 234 TRP A CA 1 ATOM 1801 C C . TRP A 1 243 ? -46.566 20.452 54.378 1.00 15.38 ? 234 TRP A C 1 ATOM 1802 O O . TRP A 1 243 ? -46.912 21.615 54.567 1.00 15.62 ? 234 TRP A O 1 ATOM 1803 C CB . TRP A 1 243 ? -47.848 18.698 53.146 1.00 14.46 ? 234 TRP A CB 1 ATOM 1804 C CG . TRP A 1 243 ? -48.485 19.611 52.133 1.00 12.83 ? 234 TRP A CG 1 ATOM 1805 C CD1 . TRP A 1 243 ? -49.800 19.951 52.057 1.00 12.00 ? 234 TRP A CD1 1 ATOM 1806 C CD2 . TRP A 1 243 ? -47.837 20.274 51.044 1.00 11.38 ? 234 TRP A CD2 1 ATOM 1807 N NE1 . TRP A 1 243 ? -50.013 20.790 50.996 1.00 11.73 ? 234 TRP A NE1 1 ATOM 1808 C CE2 . TRP A 1 243 ? -48.822 21.007 50.357 1.00 11.49 ? 234 TRP A CE2 1 ATOM 1809 C CE3 . TRP A 1 243 ? -46.519 20.322 50.583 1.00 11.34 ? 234 TRP A CE3 1 ATOM 1810 C CZ2 . TRP A 1 243 ? -48.532 21.785 49.231 1.00 11.20 ? 234 TRP A CZ2 1 ATOM 1811 C CZ3 . TRP A 1 243 ? -46.233 21.098 49.458 1.00 10.90 ? 234 TRP A CZ3 1 ATOM 1812 C CH2 . TRP A 1 243 ? -47.233 21.814 48.800 1.00 10.26 ? 234 TRP A CH2 1 ATOM 1813 N N . THR A 1 244 ? -45.327 20.087 54.067 1.00 16.02 ? 235 THR A N 1 ATOM 1814 C CA . THR A 1 244 ? -44.279 21.035 53.723 1.00 16.79 ? 235 THR A CA 1 ATOM 1815 C C . THR A 1 244 ? -43.169 20.288 52.987 1.00 17.35 ? 235 THR A C 1 ATOM 1816 O O . THR A 1 244 ? -43.031 19.067 53.151 1.00 17.57 ? 235 THR A O 1 ATOM 1817 C CB . THR A 1 244 ? -43.710 21.737 54.975 1.00 16.75 ? 235 THR A CB 1 ATOM 1818 O OG1 . THR A 1 244 ? -42.807 22.770 54.572 1.00 17.83 ? 235 THR A OG1 1 ATOM 1819 C CG2 . THR A 1 244 ? -42.966 20.756 55.880 1.00 16.94 ? 235 THR A CG2 1 ATOM 1820 N N . ILE A 1 245 ? -42.399 21.004 52.166 1.00 17.92 ? 236 ILE A N 1 ATOM 1821 C CA . ILE A 1 245 ? -41.178 20.437 51.580 1.00 18.64 ? 236 ILE A CA 1 ATOM 1822 C C . ILE A 1 245 ? -39.969 20.874 52.394 1.00 19.31 ? 236 ILE A C 1 ATOM 1823 O O . ILE A 1 245 ? -39.743 22.068 52.587 1.00 19.38 ? 236 ILE A O 1 ATOM 1824 C CB . ILE A 1 245 ? -40.999 20.795 50.081 1.00 18.40 ? 236 ILE A CB 1 ATOM 1825 C CG1 . ILE A 1 245 ? -41.577 19.703 49.203 1.00 18.28 ? 236 ILE A CG1 1 ATOM 1826 C CG2 . ILE A 1 245 ? -39.537 20.902 49.704 1.00 18.41 ? 236 ILE A CG2 1 ATOM 1827 C CD1 . ILE A 1 245 ? -43.044 19.688 49.165 1.00 19.10 ? 236 ILE A CD1 1 ATOM 1828 N N . LEU A 1 246 ? -39.207 19.894 52.871 1.00 20.21 ? 237 LEU A N 1 ATOM 1829 C CA . LEU A 1 246 ? -38.027 20.139 53.686 1.00 21.22 ? 237 LEU A CA 1 ATOM 1830 C C . LEU A 1 246 ? -36.765 19.994 52.841 1.00 22.25 ? 237 LEU A C 1 ATOM 1831 O O . LEU A 1 246 ? -36.434 18.895 52.383 1.00 22.53 ? 237 LEU A O 1 ATOM 1832 C CB . LEU A 1 246 ? -38.004 19.160 54.860 1.00 20.93 ? 237 LEU A CB 1 ATOM 1833 C CG . LEU A 1 246 ? -36.955 19.304 55.958 1.00 20.77 ? 237 LEU A CG 1 ATOM 1834 C CD1 . LEU A 1 246 ? -36.999 20.672 56.600 1.00 20.61 ? 237 LEU A CD1 1 ATOM 1835 C CD2 . LEU A 1 246 ? -37.181 18.235 56.999 1.00 20.73 ? 237 LEU A CD2 1 ATOM 1836 N N . LYS A 1 247 ? -36.063 21.103 52.631 1.00 23.35 ? 238 LYS A N 1 ATOM 1837 C CA . LYS A 1 247 ? -34.852 21.087 51.818 1.00 24.48 ? 238 LYS A CA 1 ATOM 1838 C C . LYS A 1 247 ? -33.733 20.271 52.486 1.00 25.18 ? 238 LYS A C 1 ATOM 1839 O O . LYS A 1 247 ? -33.757 20.065 53.705 1.00 25.19 ? 238 LYS A O 1 ATOM 1840 C CB . LYS A 1 247 ? -34.395 22.514 51.512 1.00 24.63 ? 238 LYS A CB 1 ATOM 1841 C CG . LYS A 1 247 ? -35.159 23.182 50.369 1.00 25.90 ? 238 LYS A CG 1 ATOM 1842 C CD . LYS A 1 247 ? -34.231 24.115 49.581 1.00 28.81 ? 238 LYS A CD 1 ATOM 1843 C CE . LYS A 1 247 ? -34.937 24.854 48.442 1.00 29.52 ? 238 LYS A CE 1 ATOM 1844 N NZ . LYS A 1 247 ? -35.711 26.028 48.944 1.00 29.52 ? 238 LYS A NZ 1 ATOM 1845 N N . PRO A 1 248 ? -32.765 19.769 51.690 1.00 25.94 ? 239 PRO A N 1 ATOM 1846 C CA . PRO A 1 248 ? -31.652 19.043 52.307 1.00 26.42 ? 239 PRO A CA 1 ATOM 1847 C C . PRO A 1 248 ? -30.856 19.932 53.261 1.00 26.87 ? 239 PRO A C 1 ATOM 1848 O O . PRO A 1 248 ? -30.617 21.104 52.955 1.00 27.01 ? 239 PRO A O 1 ATOM 1849 C CB . PRO A 1 248 ? -30.792 18.626 51.104 1.00 26.41 ? 239 PRO A CB 1 ATOM 1850 C CG . PRO A 1 248 ? -31.735 18.597 49.955 1.00 26.08 ? 239 PRO A CG 1 ATOM 1851 C CD . PRO A 1 248 ? -32.690 19.724 50.216 1.00 26.05 ? 239 PRO A CD 1 ATOM 1852 N N . ASN A 1 249 ? -30.475 19.365 54.406 1.00 27.33 ? 240 ASN A N 1 ATOM 1853 C CA . ASN A 1 249 ? -29.714 20.054 55.469 1.00 27.96 ? 240 ASN A CA 1 ATOM 1854 C C . ASN A 1 249 ? -30.572 20.924 56.374 1.00 27.75 ? 240 ASN A C 1 ATOM 1855 O O . ASN A 1 249 ? -30.094 21.442 57.385 1.00 27.86 ? 240 ASN A O 1 ATOM 1856 C CB . ASN A 1 249 ? -28.540 20.870 54.914 1.00 28.39 ? 240 ASN A CB 1 ATOM 1857 C CG . ASN A 1 249 ? -27.502 20.007 54.207 1.00 30.48 ? 240 ASN A CG 1 ATOM 1858 O OD1 . ASN A 1 249 ? -26.581 20.530 53.569 1.00 33.18 ? 240 ASN A OD1 1 ATOM 1859 N ND2 . ASN A 1 249 ? -27.645 18.685 54.310 1.00 31.86 ? 240 ASN A ND2 1 ATOM 1860 N N . ASP A 1 250 ? -31.840 21.085 56.010 1.00 27.43 ? 241 ASP A N 1 ATOM 1861 C CA . ASP A 1 250 ? -32.775 21.794 56.862 1.00 26.89 ? 241 ASP A CA 1 ATOM 1862 C C . ASP A 1 250 ? -33.387 20.850 57.895 1.00 26.53 ? 241 ASP A C 1 ATOM 1863 O O . ASP A 1 250 ? -33.357 19.622 57.738 1.00 26.42 ? 241 ASP A O 1 ATOM 1864 C CB . ASP A 1 250 ? -33.858 22.476 56.031 1.00 26.93 ? 241 ASP A CB 1 ATOM 1865 C CG . ASP A 1 250 ? -34.481 23.661 56.744 1.00 27.18 ? 241 ASP A CG 1 ATOM 1866 O OD1 . ASP A 1 250 ? -33.915 24.125 57.759 1.00 27.27 ? 241 ASP A OD1 1 ATOM 1867 O OD2 . ASP A 1 250 ? -35.537 24.136 56.284 1.00 27.71 ? 241 ASP A OD2 1 ATOM 1868 N N . ALA A 1 251 ? -33.917 21.432 58.964 1.00 26.00 ? 242 ALA A N 1 ATOM 1869 C CA . ALA A 1 251 ? -34.540 20.662 60.025 1.00 25.51 ? 242 ALA A CA 1 ATOM 1870 C C . ALA A 1 251 ? -35.984 21.088 60.212 1.00 25.16 ? 242 ALA A C 1 ATOM 1871 O O . ALA A 1 251 ? -36.361 22.217 59.883 1.00 25.24 ? 242 ALA A O 1 ATOM 1872 C CB . ALA A 1 251 ? -33.766 20.806 61.328 1.00 25.49 ? 242 ALA A CB 1 ATOM 1873 N N . ILE A 1 252 ? -36.788 20.167 60.732 1.00 24.54 ? 243 ILE A N 1 ATOM 1874 C CA . ILE A 1 252 ? -38.173 20.439 61.044 1.00 24.01 ? 243 ILE A CA 1 ATOM 1875 C C . ILE A 1 252 ? -38.328 20.250 62.546 1.00 23.85 ? 243 ILE A C 1 ATOM 1876 O O . ILE A 1 252 ? -37.863 19.255 63.097 1.00 24.05 ? 243 ILE A O 1 ATOM 1877 C CB . ILE A 1 252 ? -39.136 19.533 60.210 1.00 24.08 ? 243 ILE A CB 1 ATOM 1878 C CG1 . ILE A 1 252 ? -40.591 20.007 60.343 1.00 23.89 ? 243 ILE A CG1 1 ATOM 1879 C CG2 . ILE A 1 252 ? -38.958 18.046 60.555 1.00 23.64 ? 243 ILE A CG2 1 ATOM 1880 C CD1 . ILE A 1 252 ? -41.484 19.625 59.185 1.00 23.20 ? 243 ILE A CD1 1 ATOM 1881 N N . ASN A 1 253 ? -38.951 21.222 63.205 1.00 23.44 ? 244 ASN A N 1 ATOM 1882 C CA . ASN A 1 253 ? -39.083 21.201 64.654 1.00 23.05 ? 244 ASN A CA 1 ATOM 1883 C C . ASN A 1 253 ? -40.543 21.201 65.068 1.00 22.75 ? 244 ASN A C 1 ATOM 1884 O O . ASN A 1 253 ? -41.238 22.211 64.923 1.00 22.91 ? 244 ASN A O 1 ATOM 1885 C CB . ASN A 1 253 ? -38.360 22.396 65.274 1.00 23.19 ? 244 ASN A CB 1 ATOM 1886 C CG . ASN A 1 253 ? -36.897 22.471 64.876 1.00 23.83 ? 244 ASN A CG 1 ATOM 1887 O OD1 . ASN A 1 253 ? -36.060 21.771 65.435 1.00 24.57 ? 244 ASN A OD1 1 ATOM 1888 N ND2 . ASN A 1 253 ? -36.580 23.334 63.911 1.00 24.87 ? 244 ASN A ND2 1 ATOM 1889 N N . PHE A 1 254 ? -41.000 20.058 65.572 1.00 22.20 ? 245 PHE A N 1 ATOM 1890 C CA . PHE A 1 254 ? -42.370 19.896 66.034 1.00 21.64 ? 245 PHE A CA 1 ATOM 1891 C C . PHE A 1 254 ? -42.442 20.125 67.528 1.00 21.66 ? 245 PHE A C 1 ATOM 1892 O O . PHE A 1 254 ? -41.593 19.637 68.273 1.00 21.65 ? 245 PHE A O 1 ATOM 1893 C CB . PHE A 1 254 ? -42.873 18.486 65.733 1.00 21.42 ? 245 PHE A CB 1 ATOM 1894 C CG . PHE A 1 254 ? -42.948 18.165 64.274 1.00 20.56 ? 245 PHE A CG 1 ATOM 1895 C CD1 . PHE A 1 254 ? -44.017 18.600 63.509 1.00 20.10 ? 245 PHE A CD1 1 ATOM 1896 C CD2 . PHE A 1 254 ? -41.957 17.417 63.665 1.00 19.66 ? 245 PHE A CD2 1 ATOM 1897 C CE1 . PHE A 1 254 ? -44.089 18.301 62.160 1.00 19.21 ? 245 PHE A CE1 1 ATOM 1898 C CE2 . PHE A 1 254 ? -42.026 17.119 62.319 1.00 18.87 ? 245 PHE A CE2 1 ATOM 1899 C CZ . PHE A 1 254 ? -43.092 17.559 61.569 1.00 18.68 ? 245 PHE A CZ 1 ATOM 1900 N N . GLU A 1 255 ? -43.454 20.866 67.965 1.00 21.57 ? 246 GLU A N 1 ATOM 1901 C CA . GLU A 1 255 ? -43.717 21.047 69.387 1.00 21.82 ? 246 GLU A CA 1 ATOM 1902 C C . GLU A 1 255 ? -45.211 21.082 69.593 1.00 21.49 ? 246 GLU A C 1 ATOM 1903 O O . GLU A 1 255 ? -45.924 21.809 68.888 1.00 21.70 ? 246 GLU A O 1 ATOM 1904 C CB . GLU A 1 255 ? -43.088 22.336 69.922 1.00 22.20 ? 246 GLU A CB 1 ATOM 1905 C CG . GLU A 1 255 ? -43.233 22.526 71.437 1.00 24.38 ? 246 GLU A CG 1 ATOM 1906 C CD . GLU A 1 255 ? -42.471 23.745 71.967 1.00 27.68 ? 246 GLU A CD 1 ATOM 1907 O OE1 . GLU A 1 255 ? -43.135 24.666 72.503 1.00 28.29 ? 246 GLU A OE1 1 ATOM 1908 O OE2 . GLU A 1 255 ? -41.214 23.781 71.845 1.00 28.44 ? 246 GLU A OE2 1 ATOM 1909 N N . SER A 1 256 ? -45.683 20.293 70.556 1.00 20.75 ? 247 SER A N 1 ATOM 1910 C CA . SER A 1 256 ? -47.107 20.205 70.831 1.00 19.80 ? 247 SER A CA 1 ATOM 1911 C C . SER A 1 256 ? -47.381 19.697 72.229 1.00 19.35 ? 247 SER A C 1 ATOM 1912 O O . SER A 1 256 ? -46.552 19.000 72.820 1.00 19.20 ? 247 SER A O 1 ATOM 1913 C CB . SER A 1 256 ? -47.790 19.293 69.816 1.00 19.70 ? 247 SER A CB 1 ATOM 1914 O OG . SER A 1 256 ? -49.175 19.205 70.086 1.00 19.74 ? 247 SER A OG 1 ATOM 1915 N N . ASN A 1 257 ? -48.555 20.059 72.745 1.00 18.67 ? 248 ASN A N 1 ATOM 1916 C CA . ASN A 1 257 ? -49.058 19.519 73.997 1.00 18.01 ? 248 ASN A CA 1 ATOM 1917 C C . ASN A 1 257 ? -50.427 18.861 73.816 1.00 17.91 ? 248 ASN A C 1 ATOM 1918 O O . ASN A 1 257 ? -51.177 18.710 74.776 1.00 18.05 ? 248 ASN A O 1 ATOM 1919 C CB . ASN A 1 257 ? -49.128 20.610 75.064 1.00 17.79 ? 248 ASN A CB 1 ATOM 1920 C CG . ASN A 1 257 ? -50.134 21.679 74.730 1.00 17.37 ? 248 ASN A CG 1 ATOM 1921 O OD1 . ASN A 1 257 ? -50.303 22.034 73.566 1.00 18.44 ? 248 ASN A OD1 1 ATOM 1922 N ND2 . ASN A 1 257 ? -50.816 22.195 75.743 1.00 15.29 ? 248 ASN A ND2 1 ATOM 1923 N N . GLY A 1 258 ? -50.750 18.468 72.588 1.00 17.68 ? 249 GLY A N 1 ATOM 1924 C CA . GLY A 1 258 ? -51.992 17.743 72.327 1.00 17.39 ? 249 GLY A CA 1 ATOM 1925 C C . GLY A 1 258 ? -52.500 17.788 70.896 1.00 17.26 ? 249 GLY A C 1 ATOM 1926 O O . GLY A 1 258 ? -52.051 18.608 70.084 1.00 17.49 ? 249 GLY A O 1 ATOM 1927 N N . ASN A 1 259 ? -53.444 16.894 70.595 1.00 16.72 ? 250 ASN A N 1 ATOM 1928 C CA . ASN A 1 259 ? -54.106 16.816 69.291 1.00 16.28 ? 250 ASN A CA 1 ATOM 1929 C C . ASN A 1 259 ? -53.166 16.601 68.105 1.00 15.93 ? 250 ASN A C 1 ATOM 1930 O O . ASN A 1 259 ? -53.586 16.722 66.960 1.00 16.21 ? 250 ASN A O 1 ATOM 1931 C CB . ASN A 1 259 ? -54.973 18.059 69.040 1.00 16.30 ? 250 ASN A CB 1 ATOM 1932 C CG . ASN A 1 259 ? -55.837 18.428 70.232 1.00 16.51 ? 250 ASN A CG 1 ATOM 1933 O OD1 . ASN A 1 259 ? -55.346 18.616 71.347 1.00 16.49 ? 250 ASN A OD1 1 ATOM 1934 N ND2 . ASN A 1 259 ? -57.133 18.556 69.993 1.00 16.79 ? 250 ASN A ND2 1 ATOM 1935 N N . PHE A 1 260 ? -51.903 16.290 68.380 1.00 15.47 ? 251 PHE A N 1 ATOM 1936 C CA . PHE A 1 260 ? -50.870 16.187 67.343 1.00 15.01 ? 251 PHE A CA 1 ATOM 1937 C C . PHE A 1 260 ? -50.926 14.837 66.643 1.00 15.37 ? 251 PHE A C 1 ATOM 1938 O O . PHE A 1 260 ? -50.883 13.787 67.282 1.00 15.68 ? 251 PHE A O 1 ATOM 1939 C CB . PHE A 1 260 ? -49.488 16.435 67.967 1.00 14.48 ? 251 PHE A CB 1 ATOM 1940 C CG . PHE A 1 260 ? -48.327 16.363 67.001 1.00 12.45 ? 251 PHE A CG 1 ATOM 1941 C CD1 . PHE A 1 260 ? -48.423 16.860 65.705 1.00 11.28 ? 251 PHE A CD1 1 ATOM 1942 C CD2 . PHE A 1 260 ? -47.101 15.849 67.428 1.00 10.39 ? 251 PHE A CD2 1 ATOM 1943 C CE1 . PHE A 1 260 ? -47.321 16.801 64.835 1.00 10.35 ? 251 PHE A CE1 1 ATOM 1944 C CE2 . PHE A 1 260 ? -46.001 15.797 66.576 1.00 9.04 ? 251 PHE A CE2 1 ATOM 1945 C CZ . PHE A 1 260 ? -46.109 16.270 65.280 1.00 9.30 ? 251 PHE A CZ 1 ATOM 1946 N N . ILE A 1 261 ? -51.049 14.869 65.326 1.00 15.52 ? 252 ILE A N 1 ATOM 1947 C CA . ILE A 1 261 ? -50.968 13.654 64.552 1.00 15.74 ? 252 ILE A CA 1 ATOM 1948 C C . ILE A 1 261 ? -49.590 13.650 63.929 1.00 16.12 ? 252 ILE A C 1 ATOM 1949 O O . ILE A 1 261 ? -49.372 14.259 62.882 1.00 15.95 ? 252 ILE A O 1 ATOM 1950 C CB . ILE A 1 261 ? -52.073 13.573 63.485 1.00 15.65 ? 252 ILE A CB 1 ATOM 1951 C CG1 . ILE A 1 261 ? -53.434 13.977 64.072 1.00 15.19 ? 252 ILE A CG1 1 ATOM 1952 C CG2 . ILE A 1 261 ? -52.119 12.183 62.862 1.00 15.59 ? 252 ILE A CG2 1 ATOM 1953 C CD1 . ILE A 1 261 ? -53.834 13.247 65.336 1.00 14.46 ? 252 ILE A CD1 1 ATOM 1954 N N . ALA A 1 262 ? -48.663 12.978 64.606 1.00 16.74 ? 253 ALA A N 1 ATOM 1955 C CA . ALA A 1 262 ? -47.241 13.008 64.249 1.00 17.62 ? 253 ALA A CA 1 ATOM 1956 C C . ALA A 1 262 ? -46.910 12.337 62.928 1.00 18.20 ? 253 ALA A C 1 ATOM 1957 O O . ALA A 1 262 ? -47.584 11.406 62.516 1.00 18.04 ? 253 ALA A O 1 ATOM 1958 C CB . ALA A 1 262 ? -46.412 12.393 65.352 1.00 17.60 ? 253 ALA A CB 1 ATOM 1959 N N . PRO A 1 263 ? -45.867 12.823 62.250 1.00 19.11 ? 254 PRO A N 1 ATOM 1960 C CA . PRO A 1 263 ? -45.361 12.063 61.120 1.00 20.12 ? 254 PRO A CA 1 ATOM 1961 C C . PRO A 1 263 ? -44.614 10.807 61.576 1.00 21.25 ? 254 PRO A C 1 ATOM 1962 O O . PRO A 1 263 ? -44.027 10.789 62.671 1.00 21.68 ? 254 PRO A O 1 ATOM 1963 C CB . PRO A 1 263 ? -44.382 13.037 60.455 1.00 19.96 ? 254 PRO A CB 1 ATOM 1964 C CG . PRO A 1 263 ? -44.040 14.019 61.499 1.00 19.26 ? 254 PRO A CG 1 ATOM 1965 C CD . PRO A 1 263 ? -45.265 14.164 62.324 1.00 19.11 ? 254 PRO A CD 1 ATOM 1966 N N . GLU A 1 264 ? -44.659 9.761 60.757 1.00 22.06 ? 255 GLU A N 1 ATOM 1967 C CA . GLU A 1 264 ? -43.745 8.645 60.925 1.00 23.11 ? 255 GLU A CA 1 ATOM 1968 C C . GLU A 1 264 ? -42.938 8.453 59.654 1.00 23.47 ? 255 GLU A C 1 ATOM 1969 O O . GLU A 1 264 ? -41.709 8.352 59.692 1.00 23.55 ? 255 GLU A O 1 ATOM 1970 C CB . GLU A 1 264 ? -44.480 7.358 61.275 1.00 23.34 ? 255 GLU A CB 1 ATOM 1971 C CG . GLU A 1 264 ? -43.548 6.153 61.262 1.00 25.07 ? 255 GLU A CG 1 ATOM 1972 C CD . GLU A 1 264 ? -44.181 4.884 61.784 1.00 27.94 ? 255 GLU A CD 1 ATOM 1973 O OE1 . GLU A 1 264 ? -45.425 4.834 61.947 1.00 27.94 ? 255 GLU A OE1 1 ATOM 1974 O OE2 . GLU A 1 264 ? -43.412 3.927 62.027 1.00 30.24 ? 255 GLU A OE2 1 ATOM 1975 N N . TYR A 1 265 ? -43.645 8.401 58.529 1.00 23.93 ? 256 TYR A N 1 ATOM 1976 C CA . TYR A 1 265 ? -43.015 8.267 57.233 1.00 24.31 ? 256 TYR A CA 1 ATOM 1977 C C . TYR A 1 265 ? -43.103 9.584 56.486 1.00 24.46 ? 256 TYR A C 1 ATOM 1978 O O . TYR A 1 265 ? -44.095 10.299 56.601 1.00 24.65 ? 256 TYR A O 1 ATOM 1979 C CB . TYR A 1 265 ? -43.667 7.133 56.437 1.00 24.49 ? 256 TYR A CB 1 ATOM 1980 C CG . TYR A 1 265 ? -43.432 5.759 57.043 1.00 25.01 ? 256 TYR A CG 1 ATOM 1981 C CD1 . TYR A 1 265 ? -42.323 4.991 56.675 1.00 24.99 ? 256 TYR A CD1 1 ATOM 1982 C CD2 . TYR A 1 265 ? -44.319 5.229 57.991 1.00 25.42 ? 256 TYR A CD2 1 ATOM 1983 C CE1 . TYR A 1 265 ? -42.099 3.729 57.233 1.00 25.74 ? 256 TYR A CE1 1 ATOM 1984 C CE2 . TYR A 1 265 ? -44.105 3.967 58.561 1.00 25.77 ? 256 TYR A CE2 1 ATOM 1985 C CZ . TYR A 1 265 ? -42.993 3.222 58.181 1.00 26.17 ? 256 TYR A CZ 1 ATOM 1986 O OH . TYR A 1 265 ? -42.779 1.976 58.740 1.00 25.57 ? 256 TYR A OH 1 ATOM 1987 N N . ALA A 1 266 ? -42.038 9.911 55.760 1.00 24.60 ? 257 ALA A N 1 ATOM 1988 C CA . ALA A 1 266 ? -41.998 11.067 54.867 1.00 24.72 ? 257 ALA A CA 1 ATOM 1989 C C . ALA A 1 266 ? -41.596 10.564 53.488 1.00 24.89 ? 257 ALA A C 1 ATOM 1990 O O . ALA A 1 266 ? -41.447 9.359 53.301 1.00 25.23 ? 257 ALA A O 1 ATOM 1991 C CB . ALA A 1 266 ? -41.010 12.102 55.378 1.00 24.66 ? 257 ALA A CB 1 ATOM 1992 N N . TYR A 1 267 ? -41.416 11.465 52.526 1.00 25.02 ? 258 TYR A N 1 ATOM 1993 C CA . TYR A 1 267 ? -41.100 11.056 51.158 1.00 25.01 ? 258 TYR A CA 1 ATOM 1994 C C . TYR A 1 267 ? -39.918 11.791 50.547 1.00 25.63 ? 258 TYR A C 1 ATOM 1995 O O . TYR A 1 267 ? -39.885 13.024 50.521 1.00 25.74 ? 258 TYR A O 1 ATOM 1996 C CB . TYR A 1 267 ? -42.316 11.232 50.256 1.00 24.59 ? 258 TYR A CB 1 ATOM 1997 C CG . TYR A 1 267 ? -43.482 10.370 50.635 1.00 23.52 ? 258 TYR A CG 1 ATOM 1998 C CD1 . TYR A 1 267 ? -43.511 9.022 50.296 1.00 22.84 ? 258 TYR A CD1 1 ATOM 1999 C CD2 . TYR A 1 267 ? -44.560 10.898 51.328 1.00 22.87 ? 258 TYR A CD2 1 ATOM 2000 C CE1 . TYR A 1 267 ? -44.586 8.221 50.634 1.00 22.04 ? 258 TYR A CE1 1 ATOM 2001 C CE2 . TYR A 1 267 ? -45.637 10.104 51.679 1.00 22.76 ? 258 TYR A CE2 1 ATOM 2002 C CZ . TYR A 1 267 ? -45.640 8.766 51.326 1.00 22.08 ? 258 TYR A CZ 1 ATOM 2003 O OH . TYR A 1 267 ? -46.699 7.971 51.671 1.00 22.43 ? 258 TYR A OH 1 ATOM 2004 N N . LYS A 1 268 ? -38.955 11.026 50.045 1.00 26.25 ? 259 LYS A N 1 ATOM 2005 C CA . LYS A 1 268 ? -37.879 11.589 49.255 1.00 27.07 ? 259 LYS A CA 1 ATOM 2006 C C . LYS A 1 268 ? -38.444 12.011 47.908 1.00 27.58 ? 259 LYS A C 1 ATOM 2007 O O . LYS A 1 268 ? -39.147 11.246 47.262 1.00 27.65 ? 259 LYS A O 1 ATOM 2008 C CB . LYS A 1 268 ? -36.744 10.581 49.103 1.00 27.20 ? 259 LYS A CB 1 ATOM 2009 C CG . LYS A 1 268 ? -35.687 10.705 50.203 1.00 28.00 ? 259 LYS A CG 1 ATOM 2010 C CD . LYS A 1 268 ? -35.149 9.351 50.655 1.00 29.05 ? 259 LYS A CD 1 ATOM 2011 C CE . LYS A 1 268 ? -33.976 8.851 49.811 1.00 29.99 ? 259 LYS A CE 1 ATOM 2012 N NZ . LYS A 1 268 ? -33.545 7.482 50.257 1.00 29.73 ? 259 LYS A NZ 1 ATOM 2013 N N . ILE A 1 269 ? -38.143 13.241 47.507 1.00 28.38 ? 260 ILE A N 1 ATOM 2014 C CA . ILE A 1 269 ? -38.781 13.877 46.359 1.00 29.16 ? 260 ILE A CA 1 ATOM 2015 C C . ILE A 1 269 ? -37.752 14.486 45.412 1.00 29.72 ? 260 ILE A C 1 ATOM 2016 O O . ILE A 1 269 ? -36.821 15.172 45.857 1.00 29.89 ? 260 ILE A O 1 ATOM 2017 C CB . ILE A 1 269 ? -39.805 14.950 46.850 1.00 29.20 ? 260 ILE A CB 1 ATOM 2018 C CG1 . ILE A 1 269 ? -41.214 14.364 46.878 1.00 29.83 ? 260 ILE A CG1 1 ATOM 2019 C CG2 . ILE A 1 269 ? -39.804 16.219 45.991 1.00 29.19 ? 260 ILE A CG2 1 ATOM 2020 C CD1 . ILE A 1 269 ? -41.886 14.297 45.515 1.00 30.51 ? 260 ILE A CD1 1 ATOM 2021 N N . VAL A 1 270 ? -37.903 14.207 44.115 1.00 30.34 ? 261 VAL A N 1 ATOM 2022 C CA . VAL A 1 270 ? -37.144 14.908 43.068 1.00 31.11 ? 261 VAL A CA 1 ATOM 2023 C C . VAL A 1 270 ? -38.095 15.372 41.967 1.00 31.81 ? 261 VAL A C 1 ATOM 2024 O O . VAL A 1 270 ? -38.647 14.553 41.221 1.00 31.68 ? 261 VAL A O 1 ATOM 2025 C CB . VAL A 1 270 ? -36.002 14.054 42.428 1.00 31.09 ? 261 VAL A CB 1 ATOM 2026 C CG1 . VAL A 1 270 ? -35.252 14.881 41.387 1.00 30.64 ? 261 VAL A CG1 1 ATOM 2027 C CG2 . VAL A 1 270 ? -35.026 13.527 43.478 1.00 30.81 ? 261 VAL A CG2 1 ATOM 2028 N N . LYS A 1 271 ? -38.286 16.687 41.875 1.00 32.76 ? 262 LYS A N 1 ATOM 2029 C CA . LYS A 1 271 ? -39.187 17.252 40.874 1.00 33.61 ? 262 LYS A CA 1 ATOM 2030 C C . LYS A 1 271 ? -38.413 17.982 39.798 1.00 34.40 ? 262 LYS A C 1 ATOM 2031 O O . LYS A 1 271 ? -37.589 18.852 40.093 1.00 34.37 ? 262 LYS A O 1 ATOM 2032 C CB . LYS A 1 271 ? -40.214 18.205 41.493 1.00 33.45 ? 262 LYS A CB 1 ATOM 2033 C CG . LYS A 1 271 ? -41.533 18.222 40.737 1.00 32.89 ? 262 LYS A CG 1 ATOM 2034 C CD . LYS A 1 271 ? -41.974 19.627 40.394 1.00 32.37 ? 262 LYS A CD 1 ATOM 2035 C CE . LYS A 1 271 ? -43.465 19.696 40.069 1.00 31.61 ? 262 LYS A CE 1 ATOM 2036 N NZ . LYS A 1 271 ? -43.917 18.708 39.057 1.00 30.90 ? 262 LYS A NZ 1 ATOM 2037 N N . LYS A 1 272 ? -38.689 17.605 38.552 1.00 35.46 ? 263 LYS A N 1 ATOM 2038 C CA . LYS A 1 272 ? -38.179 18.309 37.388 1.00 36.48 ? 263 LYS A CA 1 ATOM 2039 C C . LYS A 1 272 ? -39.346 19.028 36.734 1.00 36.79 ? 263 LYS A C 1 ATOM 2040 O O . LYS A 1 272 ? -39.634 20.179 37.069 1.00 36.97 ? 263 LYS A O 1 ATOM 2041 C CB . LYS A 1 272 ? -37.492 17.350 36.407 1.00 36.77 ? 263 LYS A CB 1 ATOM 2042 C CG . LYS A 1 272 ? -36.327 16.572 37.013 1.00 38.38 ? 263 LYS A CG 1 ATOM 2043 C CD . LYS A 1 272 ? -35.091 16.618 36.124 1.00 40.89 ? 263 LYS A CD 1 ATOM 2044 C CE . LYS A 1 272 ? -33.825 16.435 36.965 1.00 42.77 ? 263 LYS A CE 1 ATOM 2045 N NZ . LYS A 1 272 ? -32.610 16.956 36.266 1.00 43.99 ? 263 LYS A NZ 1 ATOM 2046 N N . GLY A 1 273 ? -40.041 18.342 35.832 1.00 37.19 ? 264 GLY A N 1 ATOM 2047 C CA . GLY A 1 273 ? -41.142 18.956 35.094 1.00 37.64 ? 264 GLY A CA 1 ATOM 2048 C C . GLY A 1 273 ? -42.451 19.014 35.858 1.00 37.82 ? 264 GLY A C 1 ATOM 2049 O O . GLY A 1 273 ? -42.518 18.629 37.026 1.00 37.93 ? 264 GLY A O 1 ATOM 2050 N N . ASP A 1 274 A -43.486 19.509 35.182 1.00 37.94 ? 264 ASP A N 1 ATOM 2051 C CA . ASP A 1 274 A -44.858 19.470 35.683 1.00 38.08 ? 264 ASP A CA 1 ATOM 2052 C C . ASP A 1 274 A -45.767 18.617 34.804 1.00 37.65 ? 264 ASP A C 1 ATOM 2053 O O . ASP A 1 274 A -45.397 18.226 33.692 1.00 37.75 ? 264 ASP A O 1 ATOM 2054 C CB . ASP A 1 274 A -45.432 20.883 35.795 1.00 38.56 ? 264 ASP A CB 1 ATOM 2055 C CG . ASP A 1 274 A -45.403 21.413 37.216 1.00 40.34 ? 264 ASP A CG 1 ATOM 2056 O OD1 . ASP A 1 274 A -45.918 20.724 38.133 1.00 41.40 ? 264 ASP A OD1 1 ATOM 2057 O OD2 . ASP A 1 274 A -44.870 22.528 37.413 1.00 42.82 ? 264 ASP A OD2 1 ATOM 2058 N N . SER A 1 275 ? -46.956 18.341 35.286 1.00 38.04 ? 265 SER A N 1 ATOM 2059 C CA . SER A 1 275 ? -47.980 17.586 34.573 1.00 37.37 ? 265 SER A CA 1 ATOM 2060 C C . SER A 1 275 ? -49.297 17.885 35.290 1.00 37.04 ? 265 SER A C 1 ATOM 2061 O O . SER A 1 275 ? -49.416 18.893 35.987 1.00 37.15 ? 265 SER A O 1 ATOM 2062 C CB . SER A 1 275 ? -47.733 16.083 34.709 1.00 37.31 ? 265 SER A CB 1 ATOM 2063 O OG . SER A 1 275 ? -48.940 15.353 34.573 1.00 37.47 ? 265 SER A OG 1 ATOM 2064 N N . ALA A 1 276 ? -50.307 17.033 35.074 1.00 35.61 ? 266 ALA A N 1 ATOM 2065 C CA . ALA A 1 276 ? -51.575 17.139 35.797 1.00 34.96 ? 266 ALA A CA 1 ATOM 2066 C C . ALA A 1 276 ? -52.146 15.821 36.303 1.00 34.52 ? 266 ALA A C 1 ATOM 2067 O O . ALA A 1 276 ? -51.566 14.759 36.094 1.00 34.25 ? 266 ALA A O 1 ATOM 2068 C CB . ALA A 1 276 ? -52.502 17.758 34.764 1.00 35.03 ? 266 ALA A CB 1 ATOM 2069 N N . ILE A 1 277 ? -53.282 15.903 36.983 1.00 34.19 ? 267 ILE A N 1 ATOM 2070 C CA . ILE A 1 277 ? -53.972 14.721 37.464 1.00 33.86 ? 267 ILE A CA 1 ATOM 2071 C C . ILE A 1 277 ? -55.139 14.438 36.537 1.00 33.84 ? 267 ILE A C 1 ATOM 2072 O O . ILE A 1 277 ? -56.033 15.267 36.379 1.00 33.94 ? 267 ILE A O 1 ATOM 2073 C CB . ILE A 1 277 ? -54.438 14.884 38.934 1.00 33.81 ? 267 ILE A CB 1 ATOM 2074 C CG1 . ILE A 1 277 ? -53.279 14.613 39.896 1.00 33.62 ? 267 ILE A CG1 1 ATOM 2075 C CG2 . ILE A 1 277 ? -55.567 13.913 39.272 1.00 33.75 ? 267 ILE A CG2 1 ATOM 2076 C CD1 . ILE A 1 277 ? -52.244 15.701 39.964 1.00 33.75 ? 267 ILE A CD1 1 ATOM 2077 N N . MET A 1 278 ? -55.111 13.267 35.913 1.00 33.86 ? 268 MET A N 1 ATOM 2078 C CA . MET A 1 278 ? -56.157 12.865 34.993 1.00 33.91 ? 268 MET A CA 1 ATOM 2079 C C . MET A 1 278 ? -57.257 12.125 35.723 1.00 34.40 ? 268 MET A C 1 ATOM 2080 O O . MET A 1 278 ? -56.990 11.212 36.504 1.00 34.31 ? 268 MET A O 1 ATOM 2081 C CB . MET A 1 278 ? -55.585 11.973 33.896 1.00 33.71 ? 268 MET A CB 1 ATOM 2082 C CG . MET A 1 278 ? -56.607 11.534 32.858 1.00 32.52 ? 268 MET A CG 1 ATOM 2083 S SD . MET A 1 278 ? -55.829 10.756 31.446 1.00 29.86 ? 268 MET A SD 1 ATOM 2084 C CE . MET A 1 278 ? -55.129 12.173 30.599 1.00 30.17 ? 268 MET A CE 1 ATOM 2085 N N . LYS A 1 279 ? -58.495 12.529 35.464 1.00 35.05 ? 269 LYS A N 1 ATOM 2086 C CA . LYS A 1 279 ? -59.651 11.774 35.917 1.00 35.70 ? 269 LYS A CA 1 ATOM 2087 C C . LYS A 1 279 ? -60.141 10.917 34.749 1.00 36.23 ? 269 LYS A C 1 ATOM 2088 O O . LYS A 1 279 ? -60.530 11.438 33.700 1.00 36.41 ? 269 LYS A O 1 ATOM 2089 C CB . LYS A 1 279 ? -60.743 12.701 36.460 1.00 35.56 ? 269 LYS A CB 1 ATOM 2090 C CG . LYS A 1 279 ? -60.244 13.647 37.545 1.00 36.14 ? 269 LYS A CG 1 ATOM 2091 C CD . LYS A 1 279 ? -61.183 13.689 38.737 1.00 37.62 ? 269 LYS A CD 1 ATOM 2092 C CE . LYS A 1 279 ? -60.410 13.894 40.046 1.00 38.20 ? 269 LYS A CE 1 ATOM 2093 N NZ . LYS A 1 279 ? -61.124 13.331 41.243 1.00 37.93 ? 269 LYS A NZ 1 ATOM 2094 N N . SER A 1 280 ? -60.076 9.600 34.931 1.00 36.78 ? 270 SER A N 1 ATOM 2095 C CA . SER A 1 280 ? -60.422 8.635 33.894 1.00 37.36 ? 270 SER A CA 1 ATOM 2096 C C . SER A 1 280 ? -60.806 7.306 34.516 1.00 37.87 ? 270 SER A C 1 ATOM 2097 O O . SER A 1 280 ? -60.236 6.898 35.522 1.00 38.03 ? 270 SER A O 1 ATOM 2098 C CB . SER A 1 280 ? -59.241 8.415 32.951 1.00 37.35 ? 270 SER A CB 1 ATOM 2099 O OG . SER A 1 280 ? -59.476 7.314 32.088 1.00 37.16 ? 270 SER A OG 1 ATOM 2100 N N . GLU A 1 281 ? -61.754 6.619 33.895 1.00 38.53 ? 271 GLU A N 1 ATOM 2101 C CA . GLU A 1 281 ? -62.231 5.348 34.420 1.00 39.23 ? 271 GLU A CA 1 ATOM 2102 C C . GLU A 1 281 ? -61.466 4.164 33.831 1.00 39.32 ? 271 GLU A C 1 ATOM 2103 O O . GLU A 1 281 ? -61.594 3.036 34.305 1.00 39.63 ? 271 GLU A O 1 ATOM 2104 C CB . GLU A 1 281 ? -63.741 5.215 34.192 1.00 39.36 ? 271 GLU A CB 1 ATOM 2105 C CG . GLU A 1 281 ? -64.560 6.356 34.813 1.00 41.08 ? 271 GLU A CG 1 ATOM 2106 C CD . GLU A 1 281 ? -64.255 6.572 36.303 1.00 43.84 ? 271 GLU A CD 1 ATOM 2107 O OE1 . GLU A 1 281 ? -64.244 5.568 37.059 1.00 44.90 ? 271 GLU A OE1 1 ATOM 2108 O OE2 . GLU A 1 281 ? -64.028 7.741 36.714 1.00 44.06 ? 271 GLU A OE2 1 ATOM 2109 N N . LEU A 1 282 ? -60.642 4.439 32.826 1.00 39.37 ? 272 LEU A N 1 ATOM 2110 C CA . LEU A 1 282 ? -59.941 3.407 32.067 1.00 39.49 ? 272 LEU A CA 1 ATOM 2111 C C . LEU A 1 282 ? -58.864 2.684 32.867 1.00 39.70 ? 272 LEU A C 1 ATOM 2112 O O . LEU A 1 282 ? -58.643 2.980 34.040 1.00 39.61 ? 272 LEU A O 1 ATOM 2113 C CB . LEU A 1 282 ? -59.307 4.024 30.823 1.00 39.45 ? 272 LEU A CB 1 ATOM 2114 C CG . LEU A 1 282 ? -60.144 4.372 29.593 1.00 39.24 ? 272 LEU A CG 1 ATOM 2115 C CD1 . LEU A 1 282 ? -61.404 5.171 29.911 1.00 39.32 ? 272 LEU A CD1 1 ATOM 2116 C CD2 . LEU A 1 282 ? -59.252 5.155 28.664 1.00 39.24 ? 272 LEU A CD2 1 ATOM 2117 N N . GLU A 1 283 ? -58.199 1.734 32.211 1.00 40.06 ? 273 GLU A N 1 ATOM 2118 C CA . GLU A 1 283 ? -57.103 0.975 32.816 1.00 40.44 ? 273 GLU A CA 1 ATOM 2119 C C . GLU A 1 283 ? -55.839 0.983 31.953 1.00 40.28 ? 273 GLU A C 1 ATOM 2120 O O . GLU A 1 283 ? -55.874 1.345 30.775 1.00 40.24 ? 273 GLU A O 1 ATOM 2121 C CB . GLU A 1 283 ? -57.537 -0.465 33.113 1.00 40.68 ? 273 GLU A CB 1 ATOM 2122 C CG . GLU A 1 283 ? -58.132 -1.208 31.921 1.00 42.22 ? 273 GLU A CG 1 ATOM 2123 C CD . GLU A 1 283 ? -58.090 -2.717 32.091 1.00 44.23 ? 273 GLU A CD 1 ATOM 2124 O OE1 . GLU A 1 283 ? -59.173 -3.343 32.068 1.00 44.91 ? 273 GLU A OE1 1 ATOM 2125 O OE2 . GLU A 1 283 ? -56.977 -3.275 32.253 1.00 45.04 ? 273 GLU A OE2 1 ATOM 2126 N N . TYR A 1 284 ? -54.724 0.583 32.555 1.00 40.21 ? 274 TYR A N 1 ATOM 2127 C CA . TYR A 1 284 ? -53.440 0.535 31.873 1.00 40.26 ? 274 TYR A CA 1 ATOM 2128 C C . TYR A 1 284 ? -53.478 -0.490 30.741 1.00 40.80 ? 274 TYR A C 1 ATOM 2129 O O . TYR A 1 284 ? -54.232 -1.466 30.809 1.00 41.18 ? 274 TYR A O 1 ATOM 2130 C CB . TYR A 1 284 ? -52.350 0.182 32.879 1.00 39.97 ? 274 TYR A CB 1 ATOM 2131 C CG . TYR A 1 284 ? -50.938 0.266 32.354 1.00 39.18 ? 274 TYR A CG 1 ATOM 2132 C CD1 . TYR A 1 284 ? -50.398 1.476 31.927 1.00 38.55 ? 274 TYR A CD1 1 ATOM 2133 C CD2 . TYR A 1 284 ? -50.132 -0.862 32.307 1.00 38.82 ? 274 TYR A CD2 1 ATOM 2134 C CE1 . TYR A 1 284 ? -49.096 1.552 31.449 1.00 37.77 ? 274 TYR A CE1 1 ATOM 2135 C CE2 . TYR A 1 284 ? -48.826 -0.792 31.837 1.00 38.13 ? 274 TYR A CE2 1 ATOM 2136 C CZ . TYR A 1 284 ? -48.322 0.413 31.407 1.00 37.26 ? 274 TYR A CZ 1 ATOM 2137 O OH . TYR A 1 284 ? -47.036 0.467 30.942 1.00 36.88 ? 274 TYR A OH 1 ATOM 2138 N N . GLY A 1 285 ? -52.671 -0.268 29.704 1.00 41.05 ? 275 GLY A N 1 ATOM 2139 C CA . GLY A 1 285 ? -52.653 -1.157 28.548 1.00 41.25 ? 275 GLY A CA 1 ATOM 2140 C C . GLY A 1 285 ? -51.283 -1.567 28.042 1.00 41.49 ? 275 GLY A C 1 ATOM 2141 O O . GLY A 1 285 ? -51.146 -1.944 26.878 1.00 41.63 ? 275 GLY A O 1 ATOM 2142 N N . ASN A 1 286 ? -50.273 -1.504 28.907 1.00 41.71 ? 276 ASN A N 1 ATOM 2143 C CA . ASN A 1 286 ? -48.895 -1.888 28.547 1.00 41.98 ? 276 ASN A CA 1 ATOM 2144 C C . ASN A 1 286 ? -48.474 -1.320 27.199 1.00 42.21 ? 276 ASN A C 1 ATOM 2145 O O . ASN A 1 286 ? -48.128 -2.040 26.267 1.00 42.32 ? 276 ASN A O 1 ATOM 2146 C CB . ASN A 1 286 ? -48.738 -3.401 28.602 1.00 41.84 ? 276 ASN A CB 1 ATOM 2147 C CG . ASN A 1 286 ? -48.727 -3.911 30.011 1.00 41.46 ? 276 ASN A CG 1 ATOM 2148 O OD1 . ASN A 1 286 ? -47.696 -3.865 30.678 1.00 40.79 ? 276 ASN A OD1 1 ATOM 2149 N ND2 . ASN A 1 286 ? -49.880 -4.380 30.488 1.00 41.03 ? 276 ASN A ND2 1 ATOM 2150 N N . CYS A 1 287 ? -48.477 0.001 27.149 1.00 42.45 ? 277 CYS A N 1 ATOM 2151 C CA . CYS A 1 287 ? -48.735 0.736 25.941 1.00 42.82 ? 277 CYS A CA 1 ATOM 2152 C C . CYS A 1 287 ? -47.983 2.054 26.034 1.00 42.55 ? 277 CYS A C 1 ATOM 2153 O O . CYS A 1 287 ? -47.788 2.573 27.133 1.00 42.85 ? 277 CYS A O 1 ATOM 2154 C CB . CYS A 1 287 ? -50.247 0.971 25.889 1.00 42.91 ? 277 CYS A CB 1 ATOM 2155 S SG . CYS A 1 287 ? -50.849 2.326 24.878 1.00 45.77 ? 277 CYS A SG 1 ATOM 2156 N N . ASN A 1 288 ? -47.552 2.592 24.897 1.00 42.17 ? 278 ASN A N 1 ATOM 2157 C CA . ASN A 1 288 ? -46.848 3.875 24.893 1.00 41.74 ? 278 ASN A CA 1 ATOM 2158 C C . ASN A 1 288 ? -47.519 4.924 24.007 1.00 41.44 ? 278 ASN A C 1 ATOM 2159 O O . ASN A 1 288 ? -48.114 4.583 22.985 1.00 41.62 ? 278 ASN A O 1 ATOM 2160 C CB . ASN A 1 288 ? -45.390 3.676 24.486 1.00 41.69 ? 278 ASN A CB 1 ATOM 2161 C CG . ASN A 1 288 ? -44.497 4.824 24.922 1.00 41.98 ? 278 ASN A CG 1 ATOM 2162 O OD1 . ASN A 1 288 ? -44.965 5.891 25.325 1.00 41.85 ? 278 ASN A OD1 1 ATOM 2163 N ND2 . ASN A 1 288 ? -43.193 4.608 24.839 1.00 42.96 ? 278 ASN A ND2 1 ATOM 2164 N N . THR A 1 289 ? -47.424 6.193 24.405 1.00 41.01 ? 279 THR A N 1 ATOM 2165 C CA . THR A 1 289 ? -47.954 7.310 23.607 1.00 40.71 ? 279 THR A CA 1 ATOM 2166 C C . THR A 1 289 ? -47.117 8.579 23.747 1.00 40.53 ? 279 THR A C 1 ATOM 2167 O O . THR A 1 289 ? -46.206 8.638 24.570 1.00 40.59 ? 279 THR A O 1 ATOM 2168 C CB . THR A 1 289 ? -49.430 7.627 23.959 1.00 40.71 ? 279 THR A CB 1 ATOM 2169 O OG1 . THR A 1 289 ? -49.951 8.585 23.030 1.00 40.59 ? 279 THR A OG1 1 ATOM 2170 C CG2 . THR A 1 289 ? -49.556 8.186 25.367 1.00 40.60 ? 279 THR A CG2 1 ATOM 2171 N N . LYS A 1 290 ? -47.426 9.581 22.927 1.00 40.31 ? 280 LYS A N 1 ATOM 2172 C CA . LYS A 1 290 ? -46.874 10.927 23.087 1.00 40.14 ? 280 LYS A CA 1 ATOM 2173 C C . LYS A 1 290 ? -47.955 11.877 23.599 1.00 39.65 ? 280 LYS A C 1 ATOM 2174 O O . LYS A 1 290 ? -47.662 12.978 24.077 1.00 39.46 ? 280 LYS A O 1 ATOM 2175 C CB . LYS A 1 290 ? -46.300 11.448 21.766 1.00 40.41 ? 280 LYS A CB 1 ATOM 2176 C CG . LYS A 1 290 ? -44.910 10.921 21.422 1.00 41.58 ? 280 LYS A CG 1 ATOM 2177 C CD . LYS A 1 290 ? -44.320 11.646 20.200 1.00 43.56 ? 280 LYS A CD 1 ATOM 2178 C CE . LYS A 1 290 ? -42.988 11.024 19.748 1.00 44.16 ? 280 LYS A CE 1 ATOM 2179 N NZ . LYS A 1 290 ? -42.405 11.683 18.536 1.00 44.01 ? 280 LYS A NZ 1 ATOM 2180 N N . CYS A 1 291 ? -49.205 11.435 23.488 1.00 39.18 ? 281 CYS A N 1 ATOM 2181 C CA . CYS A 1 291 ? -50.365 12.227 23.878 1.00 38.75 ? 281 CYS A CA 1 ATOM 2182 C C . CYS A 1 291 ? -51.420 11.314 24.493 1.00 38.55 ? 281 CYS A C 1 ATOM 2183 O O . CYS A 1 291 ? -51.883 10.366 23.843 1.00 38.50 ? 281 CYS A O 1 ATOM 2184 C CB . CYS A 1 291 ? -50.933 12.964 22.660 1.00 38.65 ? 281 CYS A CB 1 ATOM 2185 S SG . CYS A 1 291 ? -52.473 13.885 22.931 1.00 38.58 ? 281 CYS A SG 1 ATOM 2186 N N . GLN A 1 292 ? -51.792 11.600 25.742 1.00 38.09 ? 282 GLN A N 1 ATOM 2187 C CA . GLN A 1 292 ? -52.772 10.790 26.458 1.00 37.70 ? 282 GLN A CA 1 ATOM 2188 C C . GLN A 1 292 ? -54.083 11.528 26.719 1.00 37.76 ? 282 GLN A C 1 ATOM 2189 O O . GLN A 1 292 ? -54.085 12.724 26.993 1.00 37.80 ? 282 GLN A O 1 ATOM 2190 C CB . GLN A 1 292 ? -52.175 10.274 27.764 1.00 37.50 ? 282 GLN A CB 1 ATOM 2191 C CG . GLN A 1 292 ? -53.113 9.396 28.587 1.00 36.72 ? 282 GLN A CG 1 ATOM 2192 C CD . GLN A 1 292 ? -53.466 8.090 27.902 1.00 35.70 ? 282 GLN A CD 1 ATOM 2193 O OE1 . GLN A 1 292 ? -52.593 7.287 27.580 1.00 35.40 ? 282 GLN A OE1 1 ATOM 2194 N NE2 . GLN A 1 292 ? -54.756 7.863 27.695 1.00 35.28 ? 282 GLN A NE2 1 ATOM 2195 N N . THR A 1 293 ? -55.183 10.780 26.649 1.00 37.86 ? 283 THR A N 1 ATOM 2196 C CA . THR A 1 293 ? -56.547 11.288 26.789 1.00 38.09 ? 283 THR A CA 1 ATOM 2197 C C . THR A 1 293 ? -57.272 10.511 27.890 1.00 38.28 ? 283 THR A C 1 ATOM 2198 O O . THR A 1 293 ? -56.962 9.343 28.110 1.00 38.24 ? 283 THR A O 1 ATOM 2199 C CB . THR A 1 293 ? -57.294 11.094 25.458 1.00 38.09 ? 283 THR A CB 1 ATOM 2200 O OG1 . THR A 1 293 ? -56.761 11.993 24.480 1.00 38.88 ? 283 THR A OG1 1 ATOM 2201 C CG2 . THR A 1 293 ? -58.776 11.337 25.587 1.00 38.05 ? 283 THR A CG2 1 ATOM 2202 N N . PRO A 1 294 ? -58.229 11.153 28.598 1.00 38.57 ? 284 PRO A N 1 ATOM 2203 C CA . PRO A 1 294 ? -59.065 10.429 29.560 1.00 38.77 ? 284 PRO A CA 1 ATOM 2204 C C . PRO A 1 294 ? -59.823 9.257 28.934 1.00 39.16 ? 284 PRO A C 1 ATOM 2205 O O . PRO A 1 294 ? -60.237 8.338 29.643 1.00 39.16 ? 284 PRO A O 1 ATOM 2206 C CB . PRO A 1 294 ? -60.057 11.497 30.033 1.00 38.63 ? 284 PRO A CB 1 ATOM 2207 C CG . PRO A 1 294 ? -59.339 12.765 29.887 1.00 38.43 ? 284 PRO A CG 1 ATOM 2208 C CD . PRO A 1 294 ? -58.451 12.611 28.684 1.00 38.66 ? 284 PRO A CD 1 ATOM 2209 N N . MET A 1 295 ? -59.992 9.298 27.617 1.00 39.73 ? 285 MET A N 1 ATOM 2210 C CA . MET A 1 295 ? -60.710 8.268 26.882 1.00 40.44 ? 285 MET A CA 1 ATOM 2211 C C . MET A 1 295 ? -59.789 7.271 26.170 1.00 40.51 ? 285 MET A C 1 ATOM 2212 O O . MET A 1 295 ? -60.253 6.232 25.696 1.00 40.60 ? 285 MET A O 1 ATOM 2213 C CB . MET A 1 295 ? -61.648 8.910 25.867 1.00 40.72 ? 285 MET A CB 1 ATOM 2214 C CG . MET A 1 295 ? -62.909 9.499 26.454 1.00 42.48 ? 285 MET A CG 1 ATOM 2215 S SD . MET A 1 295 ? -63.943 10.072 25.089 1.00 47.25 ? 285 MET A SD 1 ATOM 2216 C CE . MET A 1 295 ? -65.487 10.463 25.937 1.00 47.35 ? 285 MET A CE 1 ATOM 2217 N N . GLY A 1 296 ? -58.497 7.586 26.095 1.00 40.64 ? 286 GLY A N 1 ATOM 2218 C CA . GLY A 1 296 ? -57.512 6.693 25.483 1.00 40.85 ? 286 GLY A CA 1 ATOM 2219 C C . GLY A 1 296 ? -56.387 7.440 24.794 1.00 41.17 ? 286 GLY A C 1 ATOM 2220 O O . GLY A 1 296 ? -56.520 8.625 24.503 1.00 41.02 ? 286 GLY A O 1 ATOM 2221 N N . ALA A 1 297 ? -55.281 6.744 24.532 1.00 41.53 ? 287 ALA A N 1 ATOM 2222 C CA . ALA A 1 297 ? -54.098 7.341 23.900 1.00 42.02 ? 287 ALA A CA 1 ATOM 2223 C C . ALA A 1 297 ? -54.296 7.540 22.399 1.00 42.52 ? 287 ALA A C 1 ATOM 2224 O O . ALA A 1 297 ? -54.999 6.753 21.756 1.00 42.64 ? 287 ALA A O 1 ATOM 2225 C CB . ALA A 1 297 ? -52.876 6.487 24.161 1.00 41.88 ? 287 ALA A CB 1 ATOM 2226 N N . ILE A 1 298 ? -53.677 8.590 21.849 1.00 43.04 ? 288 ILE A N 1 ATOM 2227 C CA . ILE A 1 298 ? -53.839 8.950 20.429 1.00 43.50 ? 288 ILE A CA 1 ATOM 2228 C C . ILE A 1 298 ? -52.516 9.270 19.738 1.00 43.95 ? 288 ILE A C 1 ATOM 2229 O O . ILE A 1 298 ? -51.553 9.675 20.389 1.00 44.13 ? 288 ILE A O 1 ATOM 2230 C CB . ILE A 1 298 ? -54.818 10.147 20.221 1.00 43.39 ? 288 ILE A CB 1 ATOM 2231 C CG1 . ILE A 1 298 ? -54.275 11.432 20.852 1.00 43.44 ? 288 ILE A CG1 1 ATOM 2232 C CG2 . ILE A 1 298 ? -56.207 9.828 20.756 1.00 43.37 ? 288 ILE A CG2 1 ATOM 2233 C CD1 . ILE A 1 298 ? -55.049 12.686 20.468 1.00 43.80 ? 288 ILE A CD1 1 ATOM 2234 N N . ASN A 1 299 ? -52.479 9.094 18.418 1.00 44.53 ? 289 ASN A N 1 ATOM 2235 C CA . ASN A 1 299 ? -51.312 9.481 17.619 1.00 45.12 ? 289 ASN A CA 1 ATOM 2236 C C . ASN A 1 299 ? -51.178 11.000 17.472 1.00 45.23 ? 289 ASN A C 1 ATOM 2237 O O . ASN A 1 299 ? -52.183 11.722 17.416 1.00 45.43 ? 289 ASN A O 1 ATOM 2238 C CB . ASN A 1 299 ? -51.327 8.805 16.243 1.00 45.28 ? 289 ASN A CB 1 ATOM 2239 C CG . ASN A 1 299 ? -50.608 7.470 16.243 1.00 46.07 ? 289 ASN A CG 1 ATOM 2240 O OD1 . ASN A 1 299 ? -51.109 6.482 15.704 1.00 46.86 ? 289 ASN A OD1 1 ATOM 2241 N ND2 . ASN A 1 299 ? -49.425 7.433 16.851 1.00 46.81 ? 289 ASN A ND2 1 ATOM 2242 N N . SER A 1 300 ? -49.932 11.468 17.402 1.00 45.05 ? 290 SER A N 1 ATOM 2243 C CA . SER A 1 300 ? -49.624 12.900 17.437 1.00 44.61 ? 290 SER A CA 1 ATOM 2244 C C . SER A 1 300 ? -49.152 13.469 16.107 1.00 44.11 ? 290 SER A C 1 ATOM 2245 O O . SER A 1 300 ? -48.695 14.615 16.063 1.00 44.16 ? 290 SER A O 1 ATOM 2246 C CB . SER A 1 300 ? -48.570 13.195 18.515 1.00 44.73 ? 290 SER A CB 1 ATOM 2247 O OG . SER A 1 300 ? -49.170 13.377 19.784 1.00 45.19 ? 290 SER A OG 1 ATOM 2248 N N . SER A 1 301 ? -49.254 12.687 15.033 1.00 43.40 ? 291 SER A N 1 ATOM 2249 C CA . SER A 1 301 ? -48.817 13.161 13.711 1.00 42.79 ? 291 SER A CA 1 ATOM 2250 C C . SER A 1 301 ? -49.714 14.287 13.142 1.00 42.26 ? 291 SER A C 1 ATOM 2251 O O . SER A 1 301 ? -49.211 15.343 12.735 1.00 42.14 ? 291 SER A O 1 ATOM 2252 C CB . SER A 1 301 ? -48.661 11.998 12.722 1.00 42.72 ? 291 SER A CB 1 ATOM 2253 O OG . SER A 1 301 ? -49.709 11.056 12.862 1.00 43.06 ? 291 SER A OG 1 ATOM 2254 N N . MET A 1 302 ? -51.030 14.059 13.156 1.00 41.45 ? 292 MET A N 1 ATOM 2255 C CA . MET A 1 302 ? -52.013 14.994 12.603 1.00 40.60 ? 292 MET A CA 1 ATOM 2256 C C . MET A 1 302 ? -52.107 16.269 13.419 1.00 39.62 ? 292 MET A C 1 ATOM 2257 O O . MET A 1 302 ? -51.937 16.237 14.634 1.00 39.75 ? 292 MET A O 1 ATOM 2258 C CB . MET A 1 302 ? -53.386 14.334 12.506 1.00 40.97 ? 292 MET A CB 1 ATOM 2259 C CG . MET A 1 302 ? -53.449 13.127 11.567 1.00 42.62 ? 292 MET A CG 1 ATOM 2260 S SD . MET A 1 302 ? -53.011 13.500 9.848 1.00 45.99 ? 292 MET A SD 1 ATOM 2261 C CE . MET A 1 302 ? -51.214 13.323 9.848 1.00 45.13 ? 292 MET A CE 1 ATOM 2262 N N . PRO A 1 303 ? -52.380 17.404 12.752 1.00 38.62 ? 293 PRO A N 1 ATOM 2263 C CA . PRO A 1 303 ? -52.383 18.686 13.449 1.00 37.60 ? 293 PRO A CA 1 ATOM 2264 C C . PRO A 1 303 ? -53.590 18.908 14.357 1.00 36.61 ? 293 PRO A C 1 ATOM 2265 O O . PRO A 1 303 ? -53.541 19.793 15.208 1.00 36.45 ? 293 PRO A O 1 ATOM 2266 C CB . PRO A 1 303 ? -52.377 19.705 12.306 1.00 37.61 ? 293 PRO A CB 1 ATOM 2267 C CG . PRO A 1 303 ? -53.004 19.000 11.171 1.00 38.01 ? 293 PRO A CG 1 ATOM 2268 C CD . PRO A 1 303 ? -52.637 17.558 11.308 1.00 38.53 ? 293 PRO A CD 1 ATOM 2269 N N . PHE A 1 304 ? -54.655 18.125 14.178 1.00 35.57 ? 294 PHE A N 1 ATOM 2270 C CA . PHE A 1 304 ? -55.880 18.286 14.976 1.00 34.69 ? 294 PHE A CA 1 ATOM 2271 C C . PHE A 1 304 ? -56.476 16.960 15.442 1.00 34.26 ? 294 PHE A C 1 ATOM 2272 O O . PHE A 1 304 ? -56.244 15.918 14.828 1.00 34.32 ? 294 PHE A O 1 ATOM 2273 C CB . PHE A 1 304 ? -56.941 19.074 14.198 1.00 34.64 ? 294 PHE A CB 1 ATOM 2274 C CG . PHE A 1 304 ? -56.447 20.376 13.647 1.00 34.12 ? 294 PHE A CG 1 ATOM 2275 C CD1 . PHE A 1 304 ? -56.392 21.509 14.448 1.00 33.64 ? 294 PHE A CD1 1 ATOM 2276 C CD2 . PHE A 1 304 ? -56.030 20.468 12.325 1.00 33.76 ? 294 PHE A CD2 1 ATOM 2277 C CE1 . PHE A 1 304 ? -55.921 22.715 13.942 1.00 33.42 ? 294 PHE A CE1 1 ATOM 2278 C CE2 . PHE A 1 304 ? -55.557 21.669 11.810 1.00 33.40 ? 294 PHE A CE2 1 ATOM 2279 C CZ . PHE A 1 304 ? -55.503 22.794 12.620 1.00 33.38 ? 294 PHE A CZ 1 ATOM 2280 N N . HIS A 1 305 ? -57.240 17.011 16.534 1.00 33.61 ? 295 HIS A N 1 ATOM 2281 C CA . HIS A 1 305 ? -57.998 15.853 17.028 1.00 33.05 ? 295 HIS A CA 1 ATOM 2282 C C . HIS A 1 305 ? -59.348 16.305 17.593 1.00 32.76 ? 295 HIS A C 1 ATOM 2283 O O . HIS A 1 305 ? -59.563 17.501 17.816 1.00 32.85 ? 295 HIS A O 1 ATOM 2284 C CB . HIS A 1 305 ? -57.191 15.059 18.076 1.00 33.06 ? 295 HIS A CB 1 ATOM 2285 C CG . HIS A 1 305 ? -57.385 15.529 19.488 1.00 32.76 ? 295 HIS A CG 1 ATOM 2286 N ND1 . HIS A 1 305 ? -56.667 16.572 20.034 1.00 32.41 ? 295 HIS A ND1 1 ATOM 2287 C CD2 . HIS A 1 305 ? -58.215 15.094 20.465 1.00 32.03 ? 295 HIS A CD2 1 ATOM 2288 C CE1 . HIS A 1 305 ? -57.052 16.763 21.283 1.00 31.91 ? 295 HIS A CE1 1 ATOM 2289 N NE2 . HIS A 1 305 ? -57.991 15.879 21.568 1.00 31.82 ? 295 HIS A NE2 1 ATOM 2290 N N . ASN A 1 306 ? -60.253 15.358 17.825 1.00 32.21 ? 296 ASN A N 1 ATOM 2291 C CA . ASN A 1 306 ? -61.563 15.693 18.388 1.00 31.81 ? 296 ASN A CA 1 ATOM 2292 C C . ASN A 1 306 ? -62.031 14.753 19.509 1.00 31.58 ? 296 ASN A C 1 ATOM 2293 O O . ASN A 1 306 ? -63.228 14.649 19.781 1.00 31.56 ? 296 ASN A O 1 ATOM 2294 C CB . ASN A 1 306 ? -62.618 15.792 17.275 1.00 31.64 ? 296 ASN A CB 1 ATOM 2295 C CG . ASN A 1 306 ? -62.964 14.441 16.663 1.00 31.79 ? 296 ASN A CG 1 ATOM 2296 O OD1 . ASN A 1 306 ? -62.292 13.438 16.912 1.00 32.43 ? 296 ASN A OD1 1 ATOM 2297 N ND2 . ASN A 1 306 ? -64.023 14.409 15.860 1.00 31.67 ? 296 ASN A ND2 1 ATOM 2298 N N . ILE A 1 307 ? -61.082 14.086 20.162 1.00 31.29 ? 297 ILE A N 1 ATOM 2299 C CA . ILE A 1 307 ? -61.397 13.075 21.170 1.00 31.04 ? 297 ILE A CA 1 ATOM 2300 C C . ILE A 1 307 ? -61.883 13.681 22.481 1.00 30.92 ? 297 ILE A C 1 ATOM 2301 O O . ILE A 1 307 ? -63.021 13.451 22.889 1.00 31.26 ? 297 ILE A O 1 ATOM 2302 C CB . ILE A 1 307 ? -60.190 12.159 21.473 1.00 31.02 ? 297 ILE A CB 1 ATOM 2303 C CG1 . ILE A 1 307 ? -59.452 11.760 20.186 1.00 31.29 ? 297 ILE A CG1 1 ATOM 2304 C CG2 . ILE A 1 307 ? -60.635 10.946 22.270 1.00 31.01 ? 297 ILE A CG2 1 ATOM 2305 C CD1 . ILE A 1 307 ? -60.225 10.845 19.270 1.00 31.90 ? 297 ILE A CD1 1 ATOM 2306 N N . HIS A 1 308 ? -61.018 14.455 23.134 1.00 30.53 ? 298 HIS A N 1 ATOM 2307 C CA . HIS A 1 308 ? -61.290 14.970 24.468 1.00 30.03 ? 298 HIS A CA 1 ATOM 2308 C C . HIS A 1 308 ? -60.350 16.135 24.776 1.00 29.90 ? 298 HIS A C 1 ATOM 2309 O O . HIS A 1 308 ? -59.153 16.048 24.501 1.00 29.74 ? 298 HIS A O 1 ATOM 2310 C CB . HIS A 1 308 ? -61.103 13.848 25.492 1.00 29.99 ? 298 HIS A CB 1 ATOM 2311 C CG . HIS A 1 308 ? -61.844 14.066 26.771 1.00 29.53 ? 298 HIS A CG 1 ATOM 2312 N ND1 . HIS A 1 308 ? -61.383 14.902 27.764 1.00 29.22 ? 298 HIS A ND1 1 ATOM 2313 C CD2 . HIS A 1 308 ? -63.012 13.553 27.221 1.00 29.10 ? 298 HIS A CD2 1 ATOM 2314 C CE1 . HIS A 1 308 ? -62.242 14.904 28.766 1.00 29.31 ? 298 HIS A CE1 1 ATOM 2315 N NE2 . HIS A 1 308 ? -63.236 14.090 28.464 1.00 29.09 ? 298 HIS A NE2 1 ATOM 2316 N N . PRO A 1 309 ? -60.883 17.229 25.352 1.00 29.87 ? 299 PRO A N 1 ATOM 2317 C CA . PRO A 1 309 ? -60.081 18.437 25.560 1.00 29.87 ? 299 PRO A CA 1 ATOM 2318 C C . PRO A 1 309 ? -58.977 18.300 26.600 1.00 29.98 ? 299 PRO A C 1 ATOM 2319 O O . PRO A 1 309 ? -57.986 19.026 26.519 1.00 30.23 ? 299 PRO A O 1 ATOM 2320 C CB . PRO A 1 309 ? -61.110 19.468 26.042 1.00 29.90 ? 299 PRO A CB 1 ATOM 2321 C CG . PRO A 1 309 ? -62.224 18.661 26.616 1.00 29.84 ? 299 PRO A CG 1 ATOM 2322 C CD . PRO A 1 309 ? -62.283 17.421 25.776 1.00 29.95 ? 299 PRO A CD 1 ATOM 2323 N N . LEU A 1 310 ? -59.141 17.385 27.558 1.00 29.96 ? 300 LEU A N 1 ATOM 2324 C CA . LEU A 1 310 ? -58.246 17.314 28.719 1.00 29.88 ? 300 LEU A CA 1 ATOM 2325 C C . LEU A 1 310 ? -57.065 16.379 28.502 1.00 30.06 ? 300 LEU A C 1 ATOM 2326 O O . LEU A 1 310 ? -56.882 15.401 29.231 1.00 30.05 ? 300 LEU A O 1 ATOM 2327 C CB . LEU A 1 310 ? -59.019 16.931 29.981 1.00 29.74 ? 300 LEU A CB 1 ATOM 2328 C CG . LEU A 1 310 ? -60.165 17.855 30.402 1.00 29.55 ? 300 LEU A CG 1 ATOM 2329 C CD1 . LEU A 1 310 ? -60.958 17.231 31.535 1.00 29.20 ? 300 LEU A CD1 1 ATOM 2330 C CD2 . LEU A 1 310 ? -59.668 19.244 30.782 1.00 29.36 ? 300 LEU A CD2 1 ATOM 2331 N N . THR A 1 311 ? -56.258 16.707 27.501 1.00 30.36 ? 301 THR A N 1 ATOM 2332 C CA . THR A 1 311 ? -55.124 15.878 27.125 1.00 30.93 ? 301 THR A CA 1 ATOM 2333 C C . THR A 1 311 ? -53.886 16.161 27.968 1.00 31.18 ? 301 THR A C 1 ATOM 2334 O O . THR A 1 311 ? -53.795 17.189 28.645 1.00 31.17 ? 301 THR A O 1 ATOM 2335 C CB . THR A 1 311 ? -54.769 16.036 25.628 1.00 30.97 ? 301 THR A CB 1 ATOM 2336 O OG1 . THR A 1 311 ? -54.684 17.426 25.296 1.00 31.36 ? 301 THR A OG1 1 ATOM 2337 C CG2 . THR A 1 311 ? -55.814 15.374 24.748 1.00 30.96 ? 301 THR A CG2 1 ATOM 2338 N N . ILE A 1 312 ? -52.951 15.217 27.941 1.00 31.55 ? 302 ILE A N 1 ATOM 2339 C CA . ILE A 1 312 ? -51.643 15.389 28.547 1.00 32.07 ? 302 ILE A CA 1 ATOM 2340 C C . ILE A 1 312 ? -50.629 14.856 27.551 1.00 32.82 ? 302 ILE A C 1 ATOM 2341 O O . ILE A 1 312 ? -50.760 13.724 27.061 1.00 32.99 ? 302 ILE A O 1 ATOM 2342 C CB . ILE A 1 312 ? -51.495 14.632 29.892 1.00 31.84 ? 302 ILE A CB 1 ATOM 2343 C CG1 . ILE A 1 312 ? -52.533 15.108 30.908 1.00 31.87 ? 302 ILE A CG1 1 ATOM 2344 C CG2 . ILE A 1 312 ? -50.113 14.847 30.468 1.00 31.44 ? 302 ILE A CG2 1 ATOM 2345 C CD1 . ILE A 1 312 ? -52.580 14.286 32.171 1.00 31.42 ? 302 ILE A CD1 1 ATOM 2346 N N . GLY A 1 313 ? -49.632 15.682 27.244 1.00 33.51 ? 303 GLY A N 1 ATOM 2347 C CA . GLY A 1 313 ? -48.543 15.291 26.360 1.00 34.39 ? 303 GLY A CA 1 ATOM 2348 C C . GLY A 1 313 ? -48.280 16.318 25.285 1.00 35.13 ? 303 GLY A C 1 ATOM 2349 O O . GLY A 1 313 ? -48.620 17.497 25.438 1.00 35.14 ? 303 GLY A O 1 ATOM 2350 N N . GLU A 1 314 ? -47.650 15.864 24.203 1.00 35.91 ? 304 GLU A N 1 ATOM 2351 C CA . GLU A 1 314 ? -47.481 16.673 22.996 1.00 36.48 ? 304 GLU A CA 1 ATOM 2352 C C . GLU A 1 314 ? -48.638 16.325 22.070 1.00 36.34 ? 304 GLU A C 1 ATOM 2353 O O . GLU A 1 314 ? -48.605 15.328 21.338 1.00 36.21 ? 304 GLU A O 1 ATOM 2354 C CB . GLU A 1 314 ? -46.120 16.414 22.341 1.00 36.70 ? 304 GLU A CB 1 ATOM 2355 C CG . GLU A 1 314 ? -44.949 17.100 23.053 1.00 38.16 ? 304 GLU A CG 1 ATOM 2356 C CD . GLU A 1 314 ? -43.661 16.286 22.983 1.00 40.69 ? 304 GLU A CD 1 ATOM 2357 O OE1 . GLU A 1 314 ? -43.690 15.082 23.340 1.00 40.98 ? 304 GLU A OE1 1 ATOM 2358 O OE2 . GLU A 1 314 ? -42.618 16.851 22.573 1.00 41.78 ? 304 GLU A OE2 1 ATOM 2359 N N . CYS A 1 315 ? -49.669 17.160 22.130 1.00 36.16 ? 305 CYS A N 1 ATOM 2360 C CA . CYS A 1 315 ? -50.960 16.823 21.558 1.00 36.20 ? 305 CYS A CA 1 ATOM 2361 C C . CYS A 1 315 ? -51.373 17.698 20.381 1.00 35.42 ? 305 CYS A C 1 ATOM 2362 O O . CYS A 1 315 ? -51.123 18.907 20.390 1.00 35.59 ? 305 CYS A O 1 ATOM 2363 C CB . CYS A 1 315 ? -52.035 16.895 22.650 1.00 36.58 ? 305 CYS A CB 1 ATOM 2364 S SG . CYS A 1 315 ? -51.898 15.591 23.903 1.00 38.83 ? 305 CYS A SG 1 ATOM 2365 N N . PRO A 1 316 ? -52.023 17.091 19.369 1.00 34.61 ? 306 PRO A N 1 ATOM 2366 C CA . PRO A 1 316 ? -52.714 17.862 18.350 1.00 34.02 ? 306 PRO A CA 1 ATOM 2367 C C . PRO A 1 316 ? -53.689 18.834 18.997 1.00 33.65 ? 306 PRO A C 1 ATOM 2368 O O . PRO A 1 316 ? -54.085 18.639 20.147 1.00 33.78 ? 306 PRO A O 1 ATOM 2369 C CB . PRO A 1 316 ? -53.485 16.796 17.565 1.00 33.87 ? 306 PRO A CB 1 ATOM 2370 C CG . PRO A 1 316 ? -53.403 15.556 18.374 1.00 34.03 ? 306 PRO A CG 1 ATOM 2371 C CD . PRO A 1 316 ? -52.113 15.650 19.092 1.00 34.54 ? 306 PRO A CD 1 ATOM 2372 N N . LYS A 1 317 ? -54.052 19.883 18.273 1.00 33.23 ? 307 LYS A N 1 ATOM 2373 C CA . LYS A 1 317 ? -55.000 20.855 18.779 1.00 32.85 ? 307 LYS A CA 1 ATOM 2374 C C . LYS A 1 317 ? -56.386 20.246 18.866 1.00 32.84 ? 307 LYS A C 1 ATOM 2375 O O . LYS A 1 317 ? -56.811 19.508 17.977 1.00 32.73 ? 307 LYS A O 1 ATOM 2376 C CB . LYS A 1 317 ? -55.003 22.110 17.909 1.00 32.82 ? 307 LYS A CB 1 ATOM 2377 C CG . LYS A 1 317 ? -54.284 23.295 18.532 1.00 32.66 ? 307 LYS A CG 1 ATOM 2378 C CD . LYS A 1 317 ? -52.845 22.984 18.864 1.00 33.00 ? 307 LYS A CD 1 ATOM 2379 C CE . LYS A 1 317 ? -52.327 23.900 19.950 1.00 33.84 ? 307 LYS A CE 1 ATOM 2380 N NZ . LYS A 1 317 ? -50.888 23.620 20.233 1.00 35.10 ? 307 LYS A NZ 1 ATOM 2381 N N . TYR A 1 318 ? -57.075 20.532 19.964 1.00 32.95 ? 308 TYR A N 1 ATOM 2382 C CA . TYR A 1 318 ? -58.419 20.027 20.154 1.00 33.01 ? 308 TYR A CA 1 ATOM 2383 C C . TYR A 1 318 ? -59.401 20.937 19.448 1.00 33.29 ? 308 TYR A C 1 ATOM 2384 O O . TYR A 1 318 ? -59.387 22.156 19.633 1.00 33.17 ? 308 TYR A O 1 ATOM 2385 C CB . TYR A 1 318 ? -58.773 19.881 21.635 1.00 32.95 ? 308 TYR A CB 1 ATOM 2386 C CG . TYR A 1 318 ? -60.174 19.355 21.855 1.00 32.34 ? 308 TYR A CG 1 ATOM 2387 C CD1 . TYR A 1 318 ? -60.523 18.055 21.478 1.00 31.66 ? 308 TYR A CD1 1 ATOM 2388 C CD2 . TYR A 1 318 ? -61.155 20.160 22.425 1.00 31.67 ? 308 TYR A CD2 1 ATOM 2389 C CE1 . TYR A 1 318 ? -61.804 17.577 21.668 1.00 30.97 ? 308 TYR A CE1 1 ATOM 2390 C CE2 . TYR A 1 318 ? -62.440 19.688 22.616 1.00 31.17 ? 308 TYR A CE2 1 ATOM 2391 C CZ . TYR A 1 318 ? -62.753 18.401 22.236 1.00 30.80 ? 308 TYR A CZ 1 ATOM 2392 O OH . TYR A 1 318 ? -64.022 17.939 22.428 1.00 31.33 ? 308 TYR A OH 1 ATOM 2393 N N . VAL A 1 319 ? -60.262 20.310 18.653 1.00 33.79 ? 309 VAL A N 1 ATOM 2394 C CA . VAL A 1 319 ? -61.130 20.992 17.704 1.00 34.15 ? 309 VAL A CA 1 ATOM 2395 C C . VAL A 1 319 ? -62.528 20.374 17.739 1.00 34.52 ? 309 VAL A C 1 ATOM 2396 O O . VAL A 1 319 ? -62.673 19.173 17.953 1.00 34.67 ? 309 VAL A O 1 ATOM 2397 C CB . VAL A 1 319 ? -60.479 20.942 16.294 1.00 34.12 ? 309 VAL A CB 1 ATOM 2398 C CG1 . VAL A 1 319 ? -61.469 20.611 15.200 1.00 33.90 ? 309 VAL A CG1 1 ATOM 2399 C CG2 . VAL A 1 319 ? -59.732 22.245 16.011 1.00 34.06 ? 309 VAL A CG2 1 ATOM 2400 N N . LYS A 1 320 ? -63.554 21.196 17.554 1.00 35.14 ? 310 LYS A N 1 ATOM 2401 C CA . LYS A 1 320 ? -64.941 20.711 17.571 1.00 35.88 ? 310 LYS A CA 1 ATOM 2402 C C . LYS A 1 320 ? -65.473 20.188 16.227 1.00 36.04 ? 310 LYS A C 1 ATOM 2403 O O . LYS A 1 320 ? -66.655 20.358 15.931 1.00 36.45 ? 310 LYS A O 1 ATOM 2404 C CB . LYS A 1 320 ? -65.890 21.793 18.106 1.00 35.95 ? 310 LYS A CB 1 ATOM 2405 C CG . LYS A 1 320 ? -66.378 21.532 19.523 1.00 37.10 ? 310 LYS A CG 1 ATOM 2406 C CD . LYS A 1 320 ? -67.904 21.434 19.558 1.00 39.15 ? 310 LYS A CD 1 ATOM 2407 C CE . LYS A 1 320 ? -68.394 20.061 19.055 1.00 39.53 ? 310 LYS A CE 1 ATOM 2408 N NZ . LYS A 1 320 ? -69.858 20.029 18.761 1.00 39.42 ? 310 LYS A NZ 1 ATOM 2409 N N . SER A 1 321 ? -64.622 19.543 15.429 1.00 36.07 ? 311 SER A N 1 ATOM 2410 C CA . SER A 1 321 ? -65.002 19.124 14.076 1.00 36.08 ? 311 SER A CA 1 ATOM 2411 C C . SER A 1 321 ? -65.204 17.629 13.955 1.00 36.31 ? 311 SER A C 1 ATOM 2412 O O . SER A 1 321 ? -64.625 16.857 14.713 1.00 36.30 ? 311 SER A O 1 ATOM 2413 C CB . SER A 1 321 ? -63.960 19.565 13.050 1.00 35.93 ? 311 SER A CB 1 ATOM 2414 O OG . SER A 1 321 ? -64.003 20.958 12.835 1.00 35.53 ? 311 SER A OG 1 ATOM 2415 N N . ASN A 1 322 ? -66.016 17.232 12.979 1.00 36.68 ? 312 ASN A N 1 ATOM 2416 C CA . ASN A 1 322 ? -66.253 15.824 12.690 1.00 37.08 ? 312 ASN A CA 1 ATOM 2417 C C . ASN A 1 322 ? -65.376 15.293 11.553 1.00 37.29 ? 312 ASN A C 1 ATOM 2418 O O . ASN A 1 322 ? -65.011 14.111 11.530 1.00 37.32 ? 312 ASN A O 1 ATOM 2419 C CB . ASN A 1 322 ? -67.736 15.584 12.411 1.00 37.14 ? 312 ASN A CB 1 ATOM 2420 C CG . ASN A 1 322 ? -68.583 15.629 13.680 1.00 37.90 ? 312 ASN A CG 1 ATOM 2421 O OD1 . ASN A 1 322 ? -68.334 14.890 14.634 1.00 38.85 ? 312 ASN A OD1 1 ATOM 2422 N ND2 . ASN A 1 322 ? -69.592 16.494 13.693 1.00 38.54 ? 312 ASN A ND2 1 ATOM 2423 N N . ARG A 1 323 ? -65.025 16.179 10.626 1.00 37.48 ? 313 ARG A N 1 ATOM 2424 C CA . ARG A 1 323 ? -64.196 15.823 9.480 1.00 37.68 ? 313 ARG A CA 1 ATOM 2425 C C . ARG A 1 323 ? -63.435 17.036 8.979 1.00 37.29 ? 313 ARG A C 1 ATOM 2426 O O . ARG A 1 323 ? -64.031 18.074 8.690 1.00 37.49 ? 313 ARG A O 1 ATOM 2427 C CB . ARG A 1 323 ? -65.042 15.232 8.342 1.00 38.06 ? 313 ARG A CB 1 ATOM 2428 C CG . ARG A 1 323 ? -66.433 15.871 8.151 1.00 40.11 ? 313 ARG A CG 1 ATOM 2429 C CD . ARG A 1 323 ? -66.810 16.014 6.674 1.00 43.81 ? 313 ARG A CD 1 ATOM 2430 N NE . ARG A 1 323 ? -66.317 14.898 5.858 1.00 46.40 ? 313 ARG A NE 1 ATOM 2431 C CZ . ARG A 1 323 ? -66.367 14.837 4.527 1.00 47.56 ? 313 ARG A CZ 1 ATOM 2432 N NH1 . ARG A 1 323 ? -66.894 15.832 3.810 1.00 47.52 ? 313 ARG A NH1 1 ATOM 2433 N NH2 . ARG A 1 323 ? -65.877 13.768 3.908 1.00 48.21 ? 313 ARG A NH2 1 ATOM 2434 N N . LEU A 1 324 ? -62.117 16.898 8.890 1.00 36.79 ? 314 LEU A N 1 ATOM 2435 C CA . LEU A 1 324 ? -61.260 17.922 8.308 1.00 36.13 ? 314 LEU A CA 1 ATOM 2436 C C . LEU A 1 324 ? -60.473 17.305 7.168 1.00 36.07 ? 314 LEU A C 1 ATOM 2437 O O . LEU A 1 324 ? -59.358 16.816 7.365 1.00 36.00 ? 314 LEU A O 1 ATOM 2438 C CB . LEU A 1 324 ? -60.301 18.459 9.360 1.00 35.87 ? 314 LEU A CB 1 ATOM 2439 C CG . LEU A 1 324 ? -60.500 19.856 9.921 1.00 35.30 ? 314 LEU A CG 1 ATOM 2440 C CD1 . LEU A 1 324 ? -61.945 20.153 10.227 1.00 34.94 ? 314 LEU A CD1 1 ATOM 2441 C CD2 . LEU A 1 324 ? -59.643 19.985 11.158 1.00 35.17 ? 314 LEU A CD2 1 ATOM 2442 N N . VAL A 1 325 ? -61.056 17.312 5.975 1.00 35.85 ? 315 VAL A N 1 ATOM 2443 C CA . VAL A 1 325 ? -60.423 16.630 4.848 1.00 35.61 ? 315 VAL A CA 1 ATOM 2444 C C . VAL A 1 325 ? -59.996 17.573 3.722 1.00 35.38 ? 315 VAL A C 1 ATOM 2445 O O . VAL A 1 325 ? -60.755 18.426 3.268 1.00 35.31 ? 315 VAL A O 1 ATOM 2446 C CB . VAL A 1 325 ? -61.232 15.383 4.359 1.00 35.57 ? 315 VAL A CB 1 ATOM 2447 C CG1 . VAL A 1 325 ? -62.723 15.685 4.228 1.00 35.71 ? 315 VAL A CG1 1 ATOM 2448 C CG2 . VAL A 1 325 ? -60.649 14.816 3.061 1.00 35.70 ? 315 VAL A CG2 1 ATOM 2449 N N . LEU A 1 326 ? -58.755 17.374 3.296 1.00 35.36 ? 316 LEU A N 1 ATOM 2450 C CA . LEU A 1 326 ? -58.031 18.253 2.398 1.00 35.37 ? 316 LEU A CA 1 ATOM 2451 C C . LEU A 1 326 ? -57.871 17.567 1.042 1.00 35.53 ? 316 LEU A C 1 ATOM 2452 O O . LEU A 1 326 ? -57.369 16.442 0.953 1.00 35.48 ? 316 LEU A O 1 ATOM 2453 C CB . LEU A 1 326 ? -56.660 18.523 3.019 1.00 35.23 ? 316 LEU A CB 1 ATOM 2454 C CG . LEU A 1 326 ? -55.929 19.860 2.943 1.00 35.08 ? 316 LEU A CG 1 ATOM 2455 C CD1 . LEU A 1 326 ? -56.794 21.018 3.391 1.00 34.96 ? 316 LEU A CD1 1 ATOM 2456 C CD2 . LEU A 1 326 ? -54.694 19.765 3.811 1.00 34.88 ? 316 LEU A CD2 1 ATOM 2457 N N . ALA A 1 327 ? -58.311 18.244 -0.012 1.00 35.84 ? 317 ALA A N 1 ATOM 2458 C CA . ALA A 1 327 ? -58.251 17.693 -1.360 1.00 36.17 ? 317 ALA A CA 1 ATOM 2459 C C . ALA A 1 327 ? -56.826 17.693 -1.878 1.00 36.61 ? 317 ALA A C 1 ATOM 2460 O O . ALA A 1 327 ? -56.174 18.737 -1.894 1.00 36.70 ? 317 ALA A O 1 ATOM 2461 C CB . ALA A 1 327 ? -59.135 18.485 -2.284 1.00 36.05 ? 317 ALA A CB 1 ATOM 2462 N N . THR A 1 328 ? -56.344 16.519 -2.284 1.00 37.20 ? 318 THR A N 1 ATOM 2463 C CA . THR A 1 328 ? -55.033 16.403 -2.929 1.00 37.79 ? 318 THR A CA 1 ATOM 2464 C C . THR A 1 328 ? -55.156 16.086 -4.416 1.00 38.25 ? 318 THR A C 1 ATOM 2465 O O . THR A 1 328 ? -54.451 16.679 -5.231 1.00 38.60 ? 318 THR A O 1 ATOM 2466 C CB . THR A 1 328 ? -54.113 15.375 -2.250 1.00 37.65 ? 318 THR A CB 1 ATOM 2467 O OG1 . THR A 1 328 ? -54.853 14.191 -1.947 1.00 38.02 ? 318 THR A OG1 1 ATOM 2468 C CG2 . THR A 1 328 ? -53.564 15.938 -0.968 1.00 37.88 ? 318 THR A CG2 1 ATOM 2469 N N . GLY A 1 329 ? -56.056 15.167 -4.765 1.00 38.61 ? 319 GLY A N 1 ATOM 2470 C CA . GLY A 1 329 ? -56.308 14.807 -6.165 1.00 39.00 ? 319 GLY A CA 1 ATOM 2471 C C . GLY A 1 329 ? -57.104 15.858 -6.920 1.00 39.33 ? 319 GLY A C 1 ATOM 2472 O O . GLY A 1 329 ? -56.972 17.047 -6.649 1.00 39.29 ? 319 GLY A O 1 ATOM 2473 N N . LEU A 1 330 ? -57.929 15.420 -7.870 1.00 39.71 ? 320 LEU A N 1 ATOM 2474 C CA . LEU A 1 330 ? -58.758 16.335 -8.665 1.00 40.10 ? 320 LEU A CA 1 ATOM 2475 C C . LEU A 1 330 ? -60.219 15.895 -8.760 1.00 40.63 ? 320 LEU A C 1 ATOM 2476 O O . LEU A 1 330 ? -60.605 14.886 -8.171 1.00 40.88 ? 320 LEU A O 1 ATOM 2477 C CB . LEU A 1 330 ? -58.148 16.590 -10.051 1.00 39.99 ? 320 LEU A CB 1 ATOM 2478 C CG . LEU A 1 330 ? -57.193 15.630 -10.771 1.00 39.78 ? 320 LEU A CG 1 ATOM 2479 C CD1 . LEU A 1 330 ? -57.122 16.039 -12.215 1.00 39.88 ? 320 LEU A CD1 1 ATOM 2480 C CD2 . LEU A 1 330 ? -55.781 15.609 -10.187 1.00 39.38 ? 320 LEU A CD2 1 ATOM 2481 N N . ARG A 1 331 ? -61.037 16.662 -9.474 1.00 41.27 ? 321 ARG A N 1 ATOM 2482 C CA . ARG A 1 331 ? -62.466 16.363 -9.574 1.00 42.11 ? 321 ARG A CA 1 ATOM 2483 C C . ARG A 1 331 ? -62.721 15.086 -10.370 1.00 43.06 ? 321 ARG A C 1 ATOM 2484 O O . ARG A 1 331 ? -61.914 14.710 -11.220 1.00 43.35 ? 321 ARG A O 1 ATOM 2485 C CB . ARG A 1 331 ? -63.215 17.537 -10.209 1.00 41.95 ? 321 ARG A CB 1 ATOM 2486 C CG . ARG A 1 331 ? -63.171 18.817 -9.391 1.00 41.73 ? 321 ARG A CG 1 ATOM 2487 C CD . ARG A 1 331 ? -63.924 19.941 -10.083 1.00 42.06 ? 321 ARG A CD 1 ATOM 2488 N NE . ARG A 1 331 ? -64.508 20.879 -9.128 1.00 42.17 ? 321 ARG A NE 1 ATOM 2489 C CZ . ARG A 1 331 ? -64.087 22.127 -8.954 1.00 42.18 ? 321 ARG A CZ 1 ATOM 2490 N NH1 . ARG A 1 331 ? -63.075 22.594 -9.673 1.00 42.23 ? 321 ARG A NH1 1 ATOM 2491 N NH2 . ARG A 1 331 ? -64.678 22.910 -8.062 1.00 41.57 ? 321 ARG A NH2 1 ATOM 2492 N N . ASN A 1 332 ? -63.841 14.419 -10.098 1.00 44.01 ? 322 ASN A N 1 ATOM 2493 C CA . ASN A 1 332 ? -64.166 13.188 -10.827 1.00 44.86 ? 322 ASN A CA 1 ATOM 2494 C C . ASN A 1 332 ? -65.267 13.273 -11.897 1.00 45.59 ? 322 ASN A C 1 ATOM 2495 O O . ASN A 1 332 ? -65.693 14.367 -12.294 1.00 45.66 ? 322 ASN A O 1 ATOM 2496 C CB . ASN A 1 332 ? -64.414 12.026 -9.863 1.00 44.76 ? 322 ASN A CB 1 ATOM 2497 C CG . ASN A 1 332 ? -63.187 11.154 -9.687 1.00 45.00 ? 322 ASN A CG 1 ATOM 2498 O OD1 . ASN A 1 332 ? -62.055 11.616 -9.839 1.00 45.04 ? 322 ASN A OD1 1 ATOM 2499 N ND2 . ASN A 1 332 ? -63.403 9.882 -9.369 1.00 45.23 ? 322 ASN A ND2 1 ATOM 2500 N N . THR A 1 333 ? -65.689 12.094 -12.367 1.00 46.34 ? 323 THR A N 1 ATOM 2501 C CA . THR A 1 333 ? -66.669 11.942 -13.449 1.00 46.69 ? 323 THR A CA 1 ATOM 2502 C C . THR A 1 333 ? -67.783 10.977 -13.028 1.00 46.67 ? 323 THR A C 1 ATOM 2503 O O . THR A 1 333 ? -68.912 11.393 -12.768 1.00 46.50 ? 323 THR A O 1 ATOM 2504 C CB . THR A 1 333 ? -65.987 11.426 -14.749 1.00 46.82 ? 323 THR A CB 1 ATOM 2505 O OG1 . THR A 1 333 ? -64.919 12.313 -15.113 1.00 46.88 ? 323 THR A OG1 1 ATOM 2506 C CG2 . THR A 1 333 ? -66.996 11.319 -15.916 1.00 47.00 ? 323 THR A CG2 1 ATOM 2507 N N . ILE B 2 10 ? -63.512 21.689 -22.064 1.00 53.20 ? 10 ILE B N 1 ATOM 2508 C CA . ILE B 2 10 ? -63.354 20.238 -21.715 1.00 53.53 ? 10 ILE B CA 1 ATOM 2509 C C . ILE B 2 10 ? -64.668 19.641 -21.187 1.00 53.59 ? 10 ILE B C 1 ATOM 2510 O O . ILE B 2 10 ? -65.642 20.363 -20.961 1.00 53.69 ? 10 ILE B O 1 ATOM 2511 C CB . ILE B 2 10 ? -62.148 19.981 -20.751 1.00 53.56 ? 10 ILE B CB 1 ATOM 2512 C CG1 . ILE B 2 10 ? -60.951 20.864 -21.160 1.00 53.82 ? 10 ILE B CG1 1 ATOM 2513 C CG2 . ILE B 2 10 ? -61.770 18.483 -20.725 1.00 53.32 ? 10 ILE B CG2 1 ATOM 2514 C CD1 . ILE B 2 10 ? -59.680 20.656 -20.364 1.00 53.17 ? 10 ILE B CD1 1 ATOM 2515 N N . GLU B 2 11 ? -64.689 18.323 -21.012 1.00 53.60 ? 11 GLU B N 1 ATOM 2516 C CA . GLU B 2 11 ? -65.936 17.581 -20.835 1.00 53.54 ? 11 GLU B CA 1 ATOM 2517 C C . GLU B 2 11 ? -65.938 16.748 -19.554 1.00 53.13 ? 11 GLU B C 1 ATOM 2518 O O . GLU B 2 11 ? -66.908 16.772 -18.797 1.00 53.35 ? 11 GLU B O 1 ATOM 2519 C CB . GLU B 2 11 ? -66.180 16.695 -22.064 1.00 53.60 ? 11 GLU B CB 1 ATOM 2520 C CG . GLU B 2 11 ? -67.493 15.928 -22.071 1.00 54.87 ? 11 GLU B CG 1 ATOM 2521 C CD . GLU B 2 11 ? -67.780 15.274 -23.422 1.00 56.81 ? 11 GLU B CD 1 ATOM 2522 O OE1 . GLU B 2 11 ? -67.429 15.875 -24.467 1.00 57.21 ? 11 GLU B OE1 1 ATOM 2523 O OE2 . GLU B 2 11 ? -68.365 14.164 -23.438 1.00 57.14 ? 11 GLU B OE2 1 ATOM 2524 N N . GLY B 2 12 ? -64.850 16.018 -19.323 1.00 52.50 ? 12 GLY B N 1 ATOM 2525 C CA . GLY B 2 12 ? -64.704 15.176 -18.145 1.00 51.56 ? 12 GLY B CA 1 ATOM 2526 C C . GLY B 2 12 ? -63.293 14.643 -18.079 1.00 51.06 ? 12 GLY B C 1 ATOM 2527 O O . GLY B 2 12 ? -62.441 15.032 -18.875 1.00 50.92 ? 12 GLY B O 1 ATOM 2528 N N . GLY B 2 13 ? -63.046 13.749 -17.130 1.00 50.69 ? 13 GLY B N 1 ATOM 2529 C CA . GLY B 2 13 ? -61.732 13.141 -16.971 1.00 50.33 ? 13 GLY B CA 1 ATOM 2530 C C . GLY B 2 13 ? -61.618 11.808 -17.682 1.00 50.16 ? 13 GLY B C 1 ATOM 2531 O O . GLY B 2 13 ? -62.617 11.251 -18.148 1.00 50.16 ? 13 GLY B O 1 ATOM 2532 N N . TRP B 2 14 ? -60.392 11.298 -17.760 1.00 49.91 ? 14 TRP B N 1 ATOM 2533 C CA . TRP B 2 14 ? -60.123 10.023 -18.408 1.00 49.66 ? 14 TRP B CA 1 ATOM 2534 C C . TRP B 2 14 ? -59.782 8.925 -17.409 1.00 49.97 ? 14 TRP B C 1 ATOM 2535 O O . TRP B 2 14 ? -58.781 9.015 -16.690 1.00 49.82 ? 14 TRP B O 1 ATOM 2536 C CB . TRP B 2 14 ? -58.969 10.146 -19.406 1.00 49.39 ? 14 TRP B CB 1 ATOM 2537 C CG . TRP B 2 14 ? -59.157 11.153 -20.505 1.00 48.38 ? 14 TRP B CG 1 ATOM 2538 C CD1 . TRP B 2 14 ? -60.337 11.570 -21.065 1.00 47.61 ? 14 TRP B CD1 1 ATOM 2539 C CD2 . TRP B 2 14 ? -58.117 11.842 -21.207 1.00 47.33 ? 14 TRP B CD2 1 ATOM 2540 N NE1 . TRP B 2 14 ? -60.092 12.490 -22.057 1.00 47.03 ? 14 TRP B NE1 1 ATOM 2541 C CE2 . TRP B 2 14 ? -58.737 12.674 -22.165 1.00 47.09 ? 14 TRP B CE2 1 ATOM 2542 C CE3 . TRP B 2 14 ? -56.717 11.843 -21.112 1.00 46.66 ? 14 TRP B CE3 1 ATOM 2543 C CZ2 . TRP B 2 14 ? -58.005 13.499 -23.025 1.00 46.93 ? 14 TRP B CZ2 1 ATOM 2544 C CZ3 . TRP B 2 14 ? -55.991 12.664 -21.964 1.00 46.37 ? 14 TRP B CZ3 1 ATOM 2545 C CH2 . TRP B 2 14 ? -56.636 13.477 -22.911 1.00 46.49 ? 14 TRP B CH2 1 ATOM 2546 N N . GLN B 2 15 ? -60.615 7.884 -17.391 1.00 50.38 ? 15 GLN B N 1 ATOM 2547 C CA . GLN B 2 15 ? -60.330 6.640 -16.669 1.00 50.75 ? 15 GLN B CA 1 ATOM 2548 C C . GLN B 2 15 ? -59.117 5.937 -17.269 1.00 51.00 ? 15 GLN B C 1 ATOM 2549 O O . GLN B 2 15 ? -58.358 5.278 -16.556 1.00 51.09 ? 15 GLN B O 1 ATOM 2550 C CB . GLN B 2 15 ? -61.524 5.690 -16.743 1.00 50.77 ? 15 GLN B CB 1 ATOM 2551 C CG . GLN B 2 15 ? -62.846 6.279 -16.276 1.00 51.46 ? 15 GLN B CG 1 ATOM 2552 C CD . GLN B 2 15 ? -63.047 6.173 -14.774 1.00 52.12 ? 15 GLN B CD 1 ATOM 2553 O OE1 . GLN B 2 15 ? -62.159 5.738 -14.035 1.00 52.30 ? 15 GLN B OE1 1 ATOM 2554 N NE2 . GLN B 2 15 ? -64.228 6.569 -14.316 1.00 52.17 ? 15 GLN B NE2 1 ATOM 2555 N N . GLY B 2 16 ? -58.953 6.078 -18.585 1.00 51.25 ? 16 GLY B N 1 ATOM 2556 C CA . GLY B 2 16 ? -57.840 5.483 -19.314 1.00 51.57 ? 16 GLY B CA 1 ATOM 2557 C C . GLY B 2 16 ? -56.467 5.943 -18.856 1.00 51.92 ? 16 GLY B C 1 ATOM 2558 O O . GLY B 2 16 ? -55.525 5.152 -18.832 1.00 52.09 ? 16 GLY B O 1 ATOM 2559 N N . MET B 2 17 ? -56.348 7.215 -18.486 1.00 52.23 ? 17 MET B N 1 ATOM 2560 C CA . MET B 2 17 ? -55.050 7.783 -18.117 1.00 52.54 ? 17 MET B CA 1 ATOM 2561 C C . MET B 2 17 ? -54.699 7.517 -16.656 1.00 52.64 ? 17 MET B C 1 ATOM 2562 O O . MET B 2 17 ? -55.266 8.128 -15.744 1.00 52.73 ? 17 MET B O 1 ATOM 2563 C CB . MET B 2 17 ? -55.009 9.281 -18.405 1.00 52.62 ? 17 MET B CB 1 ATOM 2564 C CG . MET B 2 17 ? -53.657 9.743 -18.917 1.00 52.83 ? 17 MET B CG 1 ATOM 2565 S SD . MET B 2 17 ? -53.097 11.251 -18.137 1.00 52.99 ? 17 MET B SD 1 ATOM 2566 C CE . MET B 2 17 ? -54.530 12.306 -18.360 1.00 53.42 ? 17 MET B CE 1 ATOM 2567 N N . VAL B 2 18 ? -53.743 6.617 -16.445 1.00 52.71 ? 18 VAL B N 1 ATOM 2568 C CA . VAL B 2 18 ? -53.484 6.069 -15.112 1.00 52.70 ? 18 VAL B CA 1 ATOM 2569 C C . VAL B 2 18 ? -52.044 6.252 -14.635 1.00 52.65 ? 18 VAL B C 1 ATOM 2570 O O . VAL B 2 18 ? -51.733 5.981 -13.475 1.00 52.62 ? 18 VAL B O 1 ATOM 2571 C CB . VAL B 2 18 ? -53.899 4.561 -15.020 1.00 52.75 ? 18 VAL B CB 1 ATOM 2572 C CG1 . VAL B 2 18 ? -55.416 4.425 -14.869 1.00 52.68 ? 18 VAL B CG1 1 ATOM 2573 C CG2 . VAL B 2 18 ? -53.390 3.758 -16.228 1.00 52.37 ? 18 VAL B CG2 1 ATOM 2574 N N . ASP B 2 19 ? -51.176 6.720 -15.526 1.00 52.62 ? 19 ASP B N 1 ATOM 2575 C CA . ASP B 2 19 ? -49.758 6.891 -15.201 1.00 52.61 ? 19 ASP B CA 1 ATOM 2576 C C . ASP B 2 19 ? -49.392 8.339 -14.841 1.00 52.24 ? 19 ASP B C 1 ATOM 2577 O O . ASP B 2 19 ? -48.212 8.693 -14.800 1.00 52.32 ? 19 ASP B O 1 ATOM 2578 C CB . ASP B 2 19 ? -48.858 6.339 -16.334 1.00 52.86 ? 19 ASP B CB 1 ATOM 2579 C CG . ASP B 2 19 ? -49.049 7.075 -17.680 1.00 53.69 ? 19 ASP B CG 1 ATOM 2580 O OD1 . ASP B 2 19 ? -50.211 7.317 -18.095 1.00 54.13 ? 19 ASP B OD1 1 ATOM 2581 O OD2 . ASP B 2 19 ? -48.024 7.392 -18.334 1.00 53.92 ? 19 ASP B OD2 1 ATOM 2582 N N . GLY B 2 20 ? -50.404 9.165 -14.570 1.00 51.80 ? 20 GLY B N 1 ATOM 2583 C CA . GLY B 2 20 ? -50.189 10.580 -14.238 1.00 51.17 ? 20 GLY B CA 1 ATOM 2584 C C . GLY B 2 20 ? -51.458 11.408 -14.098 1.00 50.72 ? 20 GLY B C 1 ATOM 2585 O O . GLY B 2 20 ? -52.558 10.941 -14.401 1.00 50.69 ? 20 GLY B O 1 ATOM 2586 N N . TRP B 2 21 ? -51.294 12.651 -13.649 1.00 50.17 ? 21 TRP B N 1 ATOM 2587 C CA . TRP B 2 21 ? -52.418 13.535 -13.333 1.00 49.65 ? 21 TRP B CA 1 ATOM 2588 C C . TRP B 2 21 ? -52.958 14.301 -14.535 1.00 49.05 ? 21 TRP B C 1 ATOM 2589 O O . TRP B 2 21 ? -54.172 14.391 -14.730 1.00 48.78 ? 21 TRP B O 1 ATOM 2590 C CB . TRP B 2 21 ? -52.010 14.518 -12.234 1.00 49.89 ? 21 TRP B CB 1 ATOM 2591 C CG . TRP B 2 21 ? -52.295 14.041 -10.833 1.00 50.47 ? 21 TRP B CG 1 ATOM 2592 C CD1 . TRP B 2 21 ? -52.804 12.827 -10.459 1.00 51.09 ? 21 TRP B CD1 1 ATOM 2593 C CD2 . TRP B 2 21 ? -52.061 14.766 -9.622 1.00 50.86 ? 21 TRP B CD2 1 ATOM 2594 N NE1 . TRP B 2 21 ? -52.914 12.759 -9.091 1.00 51.13 ? 21 TRP B NE1 1 ATOM 2595 C CE2 . TRP B 2 21 ? -52.462 13.934 -8.552 1.00 50.98 ? 21 TRP B CE2 1 ATOM 2596 C CE3 . TRP B 2 21 ? -51.554 16.040 -9.337 1.00 50.78 ? 21 TRP B CE3 1 ATOM 2597 C CZ2 . TRP B 2 21 ? -52.372 14.335 -7.219 1.00 50.88 ? 21 TRP B CZ2 1 ATOM 2598 C CZ3 . TRP B 2 21 ? -51.466 16.437 -8.013 1.00 51.03 ? 21 TRP B CZ3 1 ATOM 2599 C CH2 . TRP B 2 21 ? -51.871 15.585 -6.970 1.00 50.91 ? 21 TRP B CH2 1 ATOM 2600 N N . TYR B 2 22 ? -52.048 14.863 -15.324 1.00 48.45 ? 22 TYR B N 1 ATOM 2601 C CA . TYR B 2 22 ? -52.406 15.596 -16.529 1.00 47.89 ? 22 TYR B CA 1 ATOM 2602 C C . TYR B 2 22 ? -51.750 14.931 -17.723 1.00 47.60 ? 22 TYR B C 1 ATOM 2603 O O . TYR B 2 22 ? -50.631 14.420 -17.603 1.00 47.73 ? 22 TYR B O 1 ATOM 2604 C CB . TYR B 2 22 ? -51.920 17.040 -16.442 1.00 47.81 ? 22 TYR B CB 1 ATOM 2605 C CG . TYR B 2 22 ? -52.116 17.713 -15.098 1.00 47.56 ? 22 TYR B CG 1 ATOM 2606 C CD1 . TYR B 2 22 ? -53.386 17.853 -14.536 1.00 46.95 ? 22 TYR B CD1 1 ATOM 2607 C CD2 . TYR B 2 22 ? -51.028 18.233 -14.402 1.00 47.22 ? 22 TYR B CD2 1 ATOM 2608 C CE1 . TYR B 2 22 ? -53.562 18.482 -13.308 1.00 46.71 ? 22 TYR B CE1 1 ATOM 2609 C CE2 . TYR B 2 22 ? -51.194 18.862 -13.179 1.00 46.81 ? 22 TYR B CE2 1 ATOM 2610 C CZ . TYR B 2 22 ? -52.460 18.985 -12.635 1.00 46.67 ? 22 TYR B CZ 1 ATOM 2611 O OH . TYR B 2 22 ? -52.615 19.618 -11.421 1.00 46.37 ? 22 TYR B OH 1 ATOM 2612 N N . GLY B 2 23 ? -52.427 14.940 -18.873 1.00 47.07 ? 23 GLY B N 1 ATOM 2613 C CA . GLY B 2 23 ? -51.851 14.333 -20.074 1.00 46.36 ? 23 GLY B CA 1 ATOM 2614 C C . GLY B 2 23 ? -52.639 14.387 -21.369 1.00 45.89 ? 23 GLY B C 1 ATOM 2615 O O . GLY B 2 23 ? -53.629 15.116 -21.483 1.00 45.71 ? 23 GLY B O 1 ATOM 2616 N N . TYR B 2 24 ? -52.184 13.582 -22.334 1.00 45.45 ? 24 TYR B N 1 ATOM 2617 C CA . TYR B 2 24 ? -52.647 13.616 -23.722 1.00 44.89 ? 24 TYR B CA 1 ATOM 2618 C C . TYR B 2 24 ? -53.270 12.304 -24.166 1.00 44.87 ? 24 TYR B C 1 ATOM 2619 O O . TYR B 2 24 ? -52.879 11.242 -23.691 1.00 44.93 ? 24 TYR B O 1 ATOM 2620 C CB . TYR B 2 24 ? -51.475 13.905 -24.658 1.00 44.63 ? 24 TYR B CB 1 ATOM 2621 C CG . TYR B 2 24 ? -50.583 15.052 -24.245 1.00 43.87 ? 24 TYR B CG 1 ATOM 2622 C CD1 . TYR B 2 24 ? -50.888 16.366 -24.603 1.00 42.84 ? 24 TYR B CD1 1 ATOM 2623 C CD2 . TYR B 2 24 ? -49.422 14.820 -23.513 1.00 43.20 ? 24 TYR B CD2 1 ATOM 2624 C CE1 . TYR B 2 24 ? -50.066 17.419 -24.232 1.00 42.31 ? 24 TYR B CE1 1 ATOM 2625 C CE2 . TYR B 2 24 ? -48.591 15.863 -23.140 1.00 42.78 ? 24 TYR B CE2 1 ATOM 2626 C CZ . TYR B 2 24 ? -48.918 17.159 -23.499 1.00 42.67 ? 24 TYR B CZ 1 ATOM 2627 O OH . TYR B 2 24 ? -48.087 18.190 -23.124 1.00 42.79 ? 24 TYR B OH 1 ATOM 2628 N N . HIS B 2 25 ? -54.232 12.388 -25.084 1.00 44.89 ? 25 HIS B N 1 ATOM 2629 C CA . HIS B 2 25 ? -54.748 11.217 -25.792 1.00 45.00 ? 25 HIS B CA 1 ATOM 2630 C C . HIS B 2 25 ? -54.800 11.485 -27.293 1.00 45.34 ? 25 HIS B C 1 ATOM 2631 O O . HIS B 2 25 ? -55.589 12.309 -27.766 1.00 45.13 ? 25 HIS B O 1 ATOM 2632 C CB . HIS B 2 25 ? -56.122 10.785 -25.267 1.00 44.84 ? 25 HIS B CB 1 ATOM 2633 C CG . HIS B 2 25 ? -56.791 9.736 -26.106 1.00 44.62 ? 25 HIS B CG 1 ATOM 2634 N ND1 . HIS B 2 25 ? -56.274 8.468 -26.270 1.00 43.90 ? 25 HIS B ND1 1 ATOM 2635 C CD2 . HIS B 2 25 ? -57.939 9.768 -26.824 1.00 44.50 ? 25 HIS B CD2 1 ATOM 2636 C CE1 . HIS B 2 25 ? -57.073 7.766 -27.053 1.00 43.60 ? 25 HIS B CE1 1 ATOM 2637 N NE2 . HIS B 2 25 ? -58.090 8.532 -27.405 1.00 43.80 ? 25 HIS B NE2 1 ATOM 2638 N N . HIS B 2 26 ? -53.949 10.772 -28.028 1.00 45.90 ? 26 HIS B N 1 ATOM 2639 C CA . HIS B 2 26 ? -53.825 10.931 -29.473 1.00 46.37 ? 26 HIS B CA 1 ATOM 2640 C C . HIS B 2 26 ? -54.573 9.845 -30.237 1.00 46.57 ? 26 HIS B C 1 ATOM 2641 O O . HIS B 2 26 ? -54.850 8.774 -29.699 1.00 46.57 ? 26 HIS B O 1 ATOM 2642 C CB . HIS B 2 26 ? -52.352 10.923 -29.881 1.00 46.47 ? 26 HIS B CB 1 ATOM 2643 C CG . HIS B 2 26 ? -51.732 9.560 -29.887 1.00 46.87 ? 26 HIS B CG 1 ATOM 2644 N ND1 . HIS B 2 26 ? -51.241 8.960 -28.748 1.00 47.58 ? 26 HIS B ND1 1 ATOM 2645 C CD2 . HIS B 2 26 ? -51.521 8.682 -30.897 1.00 46.96 ? 26 HIS B CD2 1 ATOM 2646 C CE1 . HIS B 2 26 ? -50.752 7.771 -29.056 1.00 47.81 ? 26 HIS B CE1 1 ATOM 2647 N NE2 . HIS B 2 26 ? -50.912 7.578 -30.353 1.00 47.54 ? 26 HIS B NE2 1 ATOM 2648 N N . SER B 2 27 ? -54.882 10.130 -31.500 1.00 46.94 ? 27 SER B N 1 ATOM 2649 C CA . SER B 2 27 ? -55.584 9.190 -32.368 1.00 47.31 ? 27 SER B CA 1 ATOM 2650 C C . SER B 2 27 ? -55.260 9.455 -33.830 1.00 47.53 ? 27 SER B C 1 ATOM 2651 O O . SER B 2 27 ? -55.910 10.279 -34.469 1.00 47.64 ? 27 SER B O 1 ATOM 2652 C CB . SER B 2 27 ? -57.097 9.283 -32.150 1.00 47.34 ? 27 SER B CB 1 ATOM 2653 O OG . SER B 2 27 ? -57.795 8.502 -33.102 1.00 47.35 ? 27 SER B OG 1 ATOM 2654 N N . ASN B 2 28 ? -54.259 8.753 -34.352 1.00 47.92 ? 28 ASN B N 1 ATOM 2655 C CA . ASN B 2 28 ? -53.876 8.882 -35.753 1.00 48.34 ? 28 ASN B CA 1 ATOM 2656 C C . ASN B 2 28 ? -54.200 7.627 -36.563 1.00 48.80 ? 28 ASN B C 1 ATOM 2657 O O . ASN B 2 28 ? -55.101 6.869 -36.203 1.00 48.95 ? 28 ASN B O 1 ATOM 2658 C CB . ASN B 2 28 ? -52.397 9.282 -35.881 1.00 48.28 ? 28 ASN B CB 1 ATOM 2659 C CG . ASN B 2 28 ? -51.436 8.269 -35.252 1.00 48.27 ? 28 ASN B CG 1 ATOM 2660 O OD1 . ASN B 2 28 ? -51.795 7.119 -34.987 1.00 48.23 ? 28 ASN B OD1 1 ATOM 2661 N ND2 . ASN B 2 28 ? -50.197 8.704 -35.020 1.00 47.53 ? 28 ASN B ND2 1 ATOM 2662 N N . GLU B 2 29 ? -53.472 7.416 -37.656 1.00 49.38 ? 29 GLU B N 1 ATOM 2663 C CA . GLU B 2 29 ? -53.618 6.210 -38.475 1.00 49.87 ? 29 GLU B CA 1 ATOM 2664 C C . GLU B 2 29 ? -53.102 4.970 -37.740 1.00 49.71 ? 29 GLU B C 1 ATOM 2665 O O . GLU B 2 29 ? -53.773 3.938 -37.702 1.00 49.58 ? 29 GLU B O 1 ATOM 2666 C CB . GLU B 2 29 ? -52.873 6.376 -39.805 1.00 50.20 ? 29 GLU B CB 1 ATOM 2667 C CG . GLU B 2 29 ? -53.414 7.482 -40.696 1.00 51.61 ? 29 GLU B CG 1 ATOM 2668 C CD . GLU B 2 29 ? -54.565 7.016 -41.552 1.00 53.54 ? 29 GLU B CD 1 ATOM 2669 O OE1 . GLU B 2 29 ? -54.305 6.492 -42.661 1.00 54.56 ? 29 GLU B OE1 1 ATOM 2670 O OE2 . GLU B 2 29 ? -55.726 7.179 -41.113 1.00 53.80 ? 29 GLU B OE2 1 ATOM 2671 N N . GLN B 2 30 ? -51.912 5.092 -37.153 1.00 49.64 ? 30 GLN B N 1 ATOM 2672 C CA . GLN B 2 30 ? -51.251 3.991 -36.447 1.00 49.66 ? 30 GLN B CA 1 ATOM 2673 C C . GLN B 2 30 ? -51.989 3.532 -35.184 1.00 49.64 ? 30 GLN B C 1 ATOM 2674 O O . GLN B 2 30 ? -51.666 2.485 -34.621 1.00 49.61 ? 30 GLN B O 1 ATOM 2675 C CB . GLN B 2 30 ? -49.815 4.383 -36.096 1.00 49.66 ? 30 GLN B CB 1 ATOM 2676 C CG . GLN B 2 30 ? -48.895 4.499 -37.295 1.00 49.63 ? 30 GLN B CG 1 ATOM 2677 C CD . GLN B 2 30 ? -48.202 5.844 -37.356 1.00 50.10 ? 30 GLN B CD 1 ATOM 2678 O OE1 . GLN B 2 30 ? -48.851 6.884 -37.528 1.00 50.35 ? 30 GLN B OE1 1 ATOM 2679 N NE2 . GLN B 2 30 ? -46.876 5.836 -37.226 1.00 49.78 ? 30 GLN B NE2 1 ATOM 2680 N N . GLY B 2 31 ? -52.966 4.322 -34.742 1.00 49.58 ? 31 GLY B N 1 ATOM 2681 C CA . GLY B 2 31 ? -53.796 3.964 -33.592 1.00 49.42 ? 31 GLY B CA 1 ATOM 2682 C C . GLY B 2 31 ? -53.835 5.002 -32.484 1.00 49.25 ? 31 GLY B C 1 ATOM 2683 O O . GLY B 2 31 ? -53.174 6.045 -32.559 1.00 49.22 ? 31 GLY B O 1 ATOM 2684 N N . SER B 2 32 ? -54.613 4.700 -31.447 1.00 48.98 ? 32 SER B N 1 ATOM 2685 C CA . SER B 2 32 ? -54.798 5.600 -30.313 1.00 48.65 ? 32 SER B CA 1 ATOM 2686 C C . SER B 2 32 ? -53.810 5.332 -29.173 1.00 48.38 ? 32 SER B C 1 ATOM 2687 O O . SER B 2 32 ? -53.006 4.403 -29.239 1.00 48.40 ? 32 SER B O 1 ATOM 2688 C CB . SER B 2 32 ? -56.242 5.518 -29.806 1.00 48.69 ? 32 SER B CB 1 ATOM 2689 O OG . SER B 2 32 ? -56.546 4.218 -29.335 1.00 48.58 ? 32 SER B OG 1 ATOM 2690 N N . GLY B 2 33 ? -53.872 6.163 -28.137 1.00 48.08 ? 33 GLY B N 1 ATOM 2691 C CA . GLY B 2 33 ? -53.018 6.016 -26.965 1.00 47.75 ? 33 GLY B CA 1 ATOM 2692 C C . GLY B 2 33 ? -53.257 7.089 -25.918 1.00 47.54 ? 33 GLY B C 1 ATOM 2693 O O . GLY B 2 33 ? -53.730 8.183 -26.239 1.00 47.51 ? 33 GLY B O 1 ATOM 2694 N N . TYR B 2 34 ? -52.943 6.758 -24.662 1.00 47.17 ? 34 TYR B N 1 ATOM 2695 C CA . TYR B 2 34 ? -52.929 7.716 -23.554 1.00 46.76 ? 34 TYR B CA 1 ATOM 2696 C C . TYR B 2 34 ? -51.499 7.963 -23.095 1.00 46.80 ? 34 TYR B C 1 ATOM 2697 O O . TYR B 2 34 ? -50.672 7.063 -23.162 1.00 46.80 ? 34 TYR B O 1 ATOM 2698 C CB . TYR B 2 34 ? -53.735 7.180 -22.377 1.00 46.50 ? 34 TYR B CB 1 ATOM 2699 C CG . TYR B 2 34 ? -55.221 7.202 -22.581 1.00 45.38 ? 34 TYR B CG 1 ATOM 2700 C CD1 . TYR B 2 34 ? -55.935 8.385 -22.459 1.00 44.72 ? 34 TYR B CD1 1 ATOM 2701 C CD2 . TYR B 2 34 ? -55.919 6.039 -22.876 1.00 44.95 ? 34 TYR B CD2 1 ATOM 2702 C CE1 . TYR B 2 34 ? -57.312 8.417 -22.636 1.00 44.40 ? 34 TYR B CE1 1 ATOM 2703 C CE2 . TYR B 2 34 ? -57.302 6.057 -23.053 1.00 44.57 ? 34 TYR B CE2 1 ATOM 2704 C CZ . TYR B 2 34 ? -57.989 7.253 -22.932 1.00 43.98 ? 34 TYR B CZ 1 ATOM 2705 O OH . TYR B 2 34 ? -59.349 7.293 -23.109 1.00 43.00 ? 34 TYR B OH 1 ATOM 2706 N N . ALA B 2 35 ? -51.210 9.173 -22.625 1.00 47.01 ? 35 ALA B N 1 ATOM 2707 C CA . ALA B 2 35 ? -49.876 9.496 -22.106 1.00 47.52 ? 35 ALA B CA 1 ATOM 2708 C C . ALA B 2 35 ? -49.902 10.658 -21.121 1.00 47.92 ? 35 ALA B C 1 ATOM 2709 O O . ALA B 2 35 ? -50.542 11.678 -21.367 1.00 48.13 ? 35 ALA B O 1 ATOM 2710 C CB . ALA B 2 35 ? -48.904 9.788 -23.241 1.00 47.40 ? 35 ALA B CB 1 ATOM 2711 N N . ALA B 2 36 ? -49.194 10.496 -20.009 1.00 48.27 ? 36 ALA B N 1 ATOM 2712 C CA . ALA B 2 36 ? -49.129 11.525 -18.985 1.00 48.66 ? 36 ALA B CA 1 ATOM 2713 C C . ALA B 2 36 ? -48.014 12.512 -19.288 1.00 48.94 ? 36 ALA B C 1 ATOM 2714 O O . ALA B 2 36 ? -46.939 12.117 -19.733 1.00 48.97 ? 36 ALA B O 1 ATOM 2715 C CB . ALA B 2 36 ? -48.908 10.888 -17.629 1.00 48.73 ? 36 ALA B CB 1 ATOM 2716 N N . ASP B 2 37 ? -48.269 13.794 -19.046 1.00 49.37 ? 37 ASP B N 1 ATOM 2717 C CA . ASP B 2 37 ? -47.224 14.807 -19.181 1.00 49.93 ? 37 ASP B CA 1 ATOM 2718 C C . ASP B 2 37 ? -46.355 14.848 -17.922 1.00 50.20 ? 37 ASP B C 1 ATOM 2719 O O . ASP B 2 37 ? -46.566 15.675 -17.028 1.00 50.34 ? 37 ASP B O 1 ATOM 2720 C CB . ASP B 2 37 ? -47.815 16.186 -19.476 1.00 49.93 ? 37 ASP B CB 1 ATOM 2721 C CG . ASP B 2 37 ? -46.760 17.183 -19.904 1.00 50.34 ? 37 ASP B CG 1 ATOM 2722 O OD1 . ASP B 2 37 ? -46.305 17.111 -21.066 1.00 51.08 ? 37 ASP B OD1 1 ATOM 2723 O OD2 . ASP B 2 37 ? -46.376 18.032 -19.078 1.00 50.98 ? 37 ASP B OD2 1 ATOM 2724 N N . LYS B 2 38 ? -45.362 13.964 -17.879 1.00 50.43 ? 38 LYS B N 1 ATOM 2725 C CA . LYS B 2 38 ? -44.623 13.672 -16.648 1.00 50.65 ? 38 LYS B CA 1 ATOM 2726 C C . LYS B 2 38 ? -43.973 14.855 -15.943 1.00 50.49 ? 38 LYS B C 1 ATOM 2727 O O . LYS B 2 38 ? -43.833 14.837 -14.723 1.00 50.52 ? 38 LYS B O 1 ATOM 2728 C CB . LYS B 2 38 ? -43.607 12.546 -16.879 1.00 50.88 ? 38 LYS B CB 1 ATOM 2729 C CG . LYS B 2 38 ? -44.271 11.199 -17.173 1.00 51.92 ? 38 LYS B CG 1 ATOM 2730 C CD . LYS B 2 38 ? -43.352 10.017 -16.897 1.00 52.99 ? 38 LYS B CD 1 ATOM 2731 C CE . LYS B 2 38 ? -44.121 8.706 -17.002 1.00 53.13 ? 38 LYS B CE 1 ATOM 2732 N NZ . LYS B 2 38 ? -43.435 7.622 -16.253 1.00 53.56 ? 38 LYS B NZ 1 ATOM 2733 N N . GLU B 2 39 ? -43.597 15.884 -16.700 1.00 50.37 ? 39 GLU B N 1 ATOM 2734 C CA . GLU B 2 39 ? -42.976 17.078 -16.120 1.00 50.33 ? 39 GLU B CA 1 ATOM 2735 C C . GLU B 2 39 ? -43.983 17.939 -15.345 1.00 49.82 ? 39 GLU B C 1 ATOM 2736 O O . GLU B 2 39 ? -43.736 18.303 -14.193 1.00 49.69 ? 39 GLU B O 1 ATOM 2737 C CB . GLU B 2 39 ? -42.230 17.890 -17.195 1.00 50.60 ? 39 GLU B CB 1 ATOM 2738 C CG . GLU B 2 39 ? -41.645 19.236 -16.725 1.00 51.99 ? 39 GLU B CG 1 ATOM 2739 C CD . GLU B 2 39 ? -42.455 20.448 -17.215 1.00 53.91 ? 39 GLU B CD 1 ATOM 2740 O OE1 . GLU B 2 39 ? -42.256 20.863 -18.384 1.00 54.13 ? 39 GLU B OE1 1 ATOM 2741 O OE2 . GLU B 2 39 ? -43.274 20.991 -16.433 1.00 54.01 ? 39 GLU B OE2 1 ATOM 2742 N N . SER B 2 40 ? -45.115 18.249 -15.970 1.00 49.31 ? 40 SER B N 1 ATOM 2743 C CA . SER B 2 40 ? -46.139 19.071 -15.330 1.00 48.88 ? 40 SER B CA 1 ATOM 2744 C C . SER B 2 40 ? -46.891 18.293 -14.257 1.00 48.81 ? 40 SER B C 1 ATOM 2745 O O . SER B 2 40 ? -47.397 18.876 -13.303 1.00 48.97 ? 40 SER B O 1 ATOM 2746 C CB . SER B 2 40 ? -47.123 19.622 -16.357 1.00 48.75 ? 40 SER B CB 1 ATOM 2747 O OG . SER B 2 40 ? -48.083 18.647 -16.709 1.00 48.11 ? 40 SER B OG 1 ATOM 2748 N N . THR B 2 41 ? -46.970 16.979 -14.426 1.00 48.67 ? 41 THR B N 1 ATOM 2749 C CA . THR B 2 41 ? -47.566 16.106 -13.422 1.00 48.54 ? 41 THR B CA 1 ATOM 2750 C C . THR B 2 41 ? -46.703 16.070 -12.153 1.00 48.43 ? 41 THR B C 1 ATOM 2751 O O . THR B 2 41 ? -47.232 16.124 -11.046 1.00 48.50 ? 41 THR B O 1 ATOM 2752 C CB . THR B 2 41 ? -47.824 14.683 -13.999 1.00 48.60 ? 41 THR B CB 1 ATOM 2753 O OG1 . THR B 2 41 ? -48.982 14.718 -14.843 1.00 48.68 ? 41 THR B OG1 1 ATOM 2754 C CG2 . THR B 2 41 ? -48.048 13.644 -12.899 1.00 48.58 ? 41 THR B CG2 1 ATOM 2755 N N . GLN B 2 42 ? -45.383 16.008 -12.315 1.00 48.29 ? 42 GLN B N 1 ATOM 2756 C CA . GLN B 2 42 ? -44.477 15.961 -11.166 1.00 48.12 ? 42 GLN B CA 1 ATOM 2757 C C . GLN B 2 42 ? -44.407 17.298 -10.435 1.00 47.87 ? 42 GLN B C 1 ATOM 2758 O O . GLN B 2 42 ? -44.442 17.336 -9.202 1.00 47.96 ? 42 GLN B O 1 ATOM 2759 C CB . GLN B 2 42 ? -43.077 15.479 -11.573 1.00 48.19 ? 42 GLN B CB 1 ATOM 2760 C CG . GLN B 2 42 ? -42.178 15.054 -10.398 1.00 48.68 ? 42 GLN B CG 1 ATOM 2761 C CD . GLN B 2 42 ? -42.817 14.009 -9.473 1.00 49.28 ? 42 GLN B CD 1 ATOM 2762 O OE1 . GLN B 2 42 ? -42.717 14.106 -8.246 1.00 49.08 ? 42 GLN B OE1 1 ATOM 2763 N NE2 . GLN B 2 42 ? -43.470 13.008 -10.060 1.00 49.40 ? 42 GLN B NE2 1 ATOM 2764 N N . LYS B 2 43 ? -44.318 18.388 -11.195 1.00 47.48 ? 43 LYS B N 1 ATOM 2765 C CA . LYS B 2 43 ? -44.356 19.733 -10.620 1.00 47.06 ? 43 LYS B CA 1 ATOM 2766 C C . LYS B 2 43 ? -45.596 19.947 -9.751 1.00 46.37 ? 43 LYS B C 1 ATOM 2767 O O . LYS B 2 43 ? -45.504 20.545 -8.681 1.00 46.47 ? 43 LYS B O 1 ATOM 2768 C CB . LYS B 2 43 ? -44.264 20.814 -11.712 1.00 47.24 ? 43 LYS B CB 1 ATOM 2769 C CG . LYS B 2 43 ? -42.881 21.444 -11.865 1.00 48.24 ? 43 LYS B CG 1 ATOM 2770 C CD . LYS B 2 43 ? -42.605 22.446 -10.731 1.00 50.99 ? 43 LYS B CD 1 ATOM 2771 C CE . LYS B 2 43 ? -41.108 22.721 -10.520 1.00 51.98 ? 43 LYS B CE 1 ATOM 2772 N NZ . LYS B 2 43 ? -40.485 23.457 -11.666 1.00 52.76 ? 43 LYS B NZ 1 ATOM 2773 N N . ALA B 2 44 ? -46.741 19.440 -10.204 1.00 45.44 ? 44 ALA B N 1 ATOM 2774 C CA . ALA B 2 44 ? -48.001 19.611 -9.487 1.00 44.73 ? 44 ALA B CA 1 ATOM 2775 C C . ALA B 2 44 ? -48.091 18.743 -8.242 1.00 44.30 ? 44 ALA B C 1 ATOM 2776 O O . ALA B 2 44 ? -48.510 19.219 -7.189 1.00 44.30 ? 44 ALA B O 1 ATOM 2777 C CB . ALA B 2 44 ? -49.174 19.346 -10.397 1.00 44.71 ? 44 ALA B CB 1 ATOM 2778 N N . ILE B 2 45 ? -47.700 17.476 -8.359 1.00 43.82 ? 45 ILE B N 1 ATOM 2779 C CA . ILE B 2 45 ? -47.720 16.557 -7.218 1.00 43.32 ? 45 ILE B CA 1 ATOM 2780 C C . ILE B 2 45 ? -46.856 17.089 -6.080 1.00 42.99 ? 45 ILE B C 1 ATOM 2781 O O . ILE B 2 45 ? -47.273 17.070 -4.922 1.00 42.88 ? 45 ILE B O 1 ATOM 2782 C CB . ILE B 2 45 ? -47.314 15.107 -7.610 1.00 43.32 ? 45 ILE B CB 1 ATOM 2783 C CG1 . ILE B 2 45 ? -48.431 14.465 -8.444 1.00 43.45 ? 45 ILE B CG1 1 ATOM 2784 C CG2 . ILE B 2 45 ? -47.003 14.266 -6.365 1.00 43.22 ? 45 ILE B CG2 1 ATOM 2785 C CD1 . ILE B 2 45 ? -48.399 12.947 -8.543 1.00 43.57 ? 45 ILE B CD1 1 ATOM 2786 N N . ASP B 2 46 ? -45.669 17.586 -6.420 1.00 42.61 ? 46 ASP B N 1 ATOM 2787 C CA . ASP B 2 46 ? -44.796 18.223 -5.440 1.00 42.28 ? 46 ASP B CA 1 ATOM 2788 C C . ASP B 2 46 ? -45.535 19.324 -4.684 1.00 41.67 ? 46 ASP B C 1 ATOM 2789 O O . ASP B 2 46 ? -45.697 19.231 -3.471 1.00 41.86 ? 46 ASP B O 1 ATOM 2790 C CB . ASP B 2 46 ? -43.524 18.766 -6.100 1.00 42.47 ? 46 ASP B CB 1 ATOM 2791 C CG . ASP B 2 46 ? -42.590 17.660 -6.570 1.00 43.39 ? 46 ASP B CG 1 ATOM 2792 O OD1 . ASP B 2 46 ? -41.645 17.970 -7.332 1.00 44.40 ? 46 ASP B OD1 1 ATOM 2793 O OD2 . ASP B 2 46 ? -42.797 16.483 -6.183 1.00 43.78 ? 46 ASP B OD2 1 ATOM 2794 N N . GLY B 2 47 ? -46.004 20.339 -5.408 1.00 40.87 ? 47 GLY B N 1 ATOM 2795 C CA . GLY B 2 47 ? -46.731 21.459 -4.814 1.00 39.88 ? 47 GLY B CA 1 ATOM 2796 C C . GLY B 2 47 ? -47.817 21.037 -3.842 1.00 39.29 ? 47 GLY B C 1 ATOM 2797 O O . GLY B 2 47 ? -47.806 21.439 -2.680 1.00 39.27 ? 47 GLY B O 1 ATOM 2798 N N . VAL B 2 48 ? -48.746 20.212 -4.315 1.00 38.66 ? 48 VAL B N 1 ATOM 2799 C CA . VAL B 2 48 ? -49.857 19.732 -3.495 1.00 37.98 ? 48 VAL B CA 1 ATOM 2800 C C . VAL B 2 48 ? -49.359 19.018 -2.239 1.00 37.60 ? 48 VAL B C 1 ATOM 2801 O O . VAL B 2 48 ? -49.861 19.261 -1.149 1.00 37.54 ? 48 VAL B O 1 ATOM 2802 C CB . VAL B 2 48 ? -50.797 18.809 -4.300 1.00 37.90 ? 48 VAL B CB 1 ATOM 2803 C CG1 . VAL B 2 48 ? -51.934 18.309 -3.433 1.00 37.94 ? 48 VAL B CG1 1 ATOM 2804 C CG2 . VAL B 2 48 ? -51.359 19.551 -5.493 1.00 37.97 ? 48 VAL B CG2 1 ATOM 2805 N N . THR B 2 49 ? -48.373 18.139 -2.408 1.00 37.26 ? 49 THR B N 1 ATOM 2806 C CA . THR B 2 49 ? -47.741 17.427 -1.298 1.00 36.79 ? 49 THR B CA 1 ATOM 2807 C C . THR B 2 49 ? -47.147 18.435 -0.322 1.00 36.50 ? 49 THR B C 1 ATOM 2808 O O . THR B 2 49 ? -47.441 18.409 0.871 1.00 36.45 ? 49 THR B O 1 ATOM 2809 C CB . THR B 2 49 ? -46.644 16.462 -1.820 1.00 36.81 ? 49 THR B CB 1 ATOM 2810 O OG1 . THR B 2 49 ? -47.259 15.402 -2.562 1.00 36.85 ? 49 THR B OG1 1 ATOM 2811 C CG2 . THR B 2 49 ? -45.817 15.865 -0.684 1.00 36.75 ? 49 THR B CG2 1 ATOM 2812 N N . ASN B 2 50 ? -46.333 19.332 -0.865 1.00 36.21 ? 50 ASN B N 1 ATOM 2813 C CA . ASN B 2 50 ? -45.655 20.375 -0.117 1.00 36.02 ? 50 ASN B CA 1 ATOM 2814 C C . ASN B 2 50 ? -46.619 21.303 0.629 1.00 35.57 ? 50 ASN B C 1 ATOM 2815 O O . ASN B 2 50 ? -46.273 21.883 1.657 1.00 35.65 ? 50 ASN B O 1 ATOM 2816 C CB . ASN B 2 50 ? -44.795 21.180 -1.083 1.00 36.16 ? 50 ASN B CB 1 ATOM 2817 C CG . ASN B 2 50 ? -43.536 21.702 -0.446 1.00 37.41 ? 50 ASN B CG 1 ATOM 2818 O OD1 . ASN B 2 50 ? -43.582 22.467 0.523 1.00 39.09 ? 50 ASN B OD1 1 ATOM 2819 N ND2 . ASN B 2 50 ? -42.393 21.301 -0.991 1.00 38.24 ? 50 ASN B ND2 1 ATOM 2820 N N . LYS B 2 51 ? -47.829 21.433 0.097 1.00 35.00 ? 51 LYS B N 1 ATOM 2821 C CA . LYS B 2 51 ? -48.898 22.196 0.731 1.00 34.39 ? 51 LYS B CA 1 ATOM 2822 C C . LYS B 2 51 ? -49.391 21.472 1.973 1.00 34.34 ? 51 LYS B C 1 ATOM 2823 O O . LYS B 2 51 ? -49.398 22.041 3.056 1.00 34.50 ? 51 LYS B O 1 ATOM 2824 C CB . LYS B 2 51 ? -50.031 22.394 -0.273 1.00 34.28 ? 51 LYS B CB 1 ATOM 2825 C CG . LYS B 2 51 ? -51.286 23.055 0.225 1.00 32.97 ? 51 LYS B CG 1 ATOM 2826 C CD . LYS B 2 51 ? -51.861 23.851 -0.923 1.00 31.44 ? 51 LYS B CD 1 ATOM 2827 C CE . LYS B 2 51 ? -53.363 23.798 -0.968 1.00 30.63 ? 51 LYS B CE 1 ATOM 2828 N NZ . LYS B 2 51 ? -53.871 24.562 -2.150 1.00 29.98 ? 51 LYS B NZ 1 ATOM 2829 N N . VAL B 2 52 ? -49.783 20.212 1.807 1.00 34.24 ? 52 VAL B N 1 ATOM 2830 C CA . VAL B 2 52 ? -50.274 19.375 2.900 1.00 34.09 ? 52 VAL B CA 1 ATOM 2831 C C . VAL B 2 52 ? -49.263 19.312 4.043 1.00 34.13 ? 52 VAL B C 1 ATOM 2832 O O . VAL B 2 52 ? -49.622 19.509 5.206 1.00 34.32 ? 52 VAL B O 1 ATOM 2833 C CB . VAL B 2 52 ? -50.637 17.956 2.400 1.00 34.04 ? 52 VAL B CB 1 ATOM 2834 C CG1 . VAL B 2 52 ? -51.003 17.035 3.558 1.00 34.19 ? 52 VAL B CG1 1 ATOM 2835 C CG2 . VAL B 2 52 ? -51.786 18.028 1.413 1.00 33.78 ? 52 VAL B CG2 1 ATOM 2836 N N . ASN B 2 53 ? -48.001 19.063 3.703 1.00 34.11 ? 53 ASN B N 1 ATOM 2837 C CA . ASN B 2 53 ? -46.920 19.073 4.682 1.00 34.07 ? 53 ASN B CA 1 ATOM 2838 C C . ASN B 2 53 ? -46.843 20.378 5.454 1.00 34.14 ? 53 ASN B C 1 ATOM 2839 O O . ASN B 2 53 ? -46.636 20.368 6.661 1.00 34.10 ? 53 ASN B O 1 ATOM 2840 C CB . ASN B 2 53 ? -45.578 18.808 4.004 1.00 34.14 ? 53 ASN B CB 1 ATOM 2841 C CG . ASN B 2 53 ? -45.425 17.372 3.555 1.00 34.05 ? 53 ASN B CG 1 ATOM 2842 O OD1 . ASN B 2 53 ? -46.116 16.474 4.037 1.00 33.41 ? 53 ASN B OD1 1 ATOM 2843 N ND2 . ASN B 2 53 ? -44.508 17.147 2.624 1.00 34.19 ? 53 ASN B ND2 1 ATOM 2844 N N . SER B 2 54 ? -47.013 21.496 4.752 1.00 34.29 ? 54 SER B N 1 ATOM 2845 C CA . SER B 2 54 ? -46.981 22.813 5.380 1.00 34.55 ? 54 SER B CA 1 ATOM 2846 C C . SER B 2 54 ? -48.066 22.960 6.448 1.00 34.71 ? 54 SER B C 1 ATOM 2847 O O . SER B 2 54 ? -47.786 23.385 7.566 1.00 34.81 ? 54 SER B O 1 ATOM 2848 C CB . SER B 2 54 ? -47.099 23.920 4.331 1.00 34.50 ? 54 SER B CB 1 ATOM 2849 O OG . SER B 2 54 ? -45.863 24.129 3.670 1.00 34.84 ? 54 SER B OG 1 ATOM 2850 N N . ILE B 2 55 ? -49.292 22.580 6.103 1.00 34.95 ? 55 ILE B N 1 ATOM 2851 C CA . ILE B 2 55 ? -50.416 22.627 7.036 1.00 35.10 ? 55 ILE B CA 1 ATOM 2852 C C . ILE B 2 55 ? -50.196 21.724 8.258 1.00 35.45 ? 55 ILE B C 1 ATOM 2853 O O . ILE B 2 55 ? -50.626 22.057 9.365 1.00 35.46 ? 55 ILE B O 1 ATOM 2854 C CB . ILE B 2 55 ? -51.739 22.284 6.328 1.00 34.94 ? 55 ILE B CB 1 ATOM 2855 C CG1 . ILE B 2 55 ? -52.051 23.362 5.281 1.00 34.74 ? 55 ILE B CG1 1 ATOM 2856 C CG2 . ILE B 2 55 ? -52.875 22.141 7.342 1.00 34.66 ? 55 ILE B CG2 1 ATOM 2857 C CD1 . ILE B 2 55 ? -53.271 23.091 4.415 1.00 34.36 ? 55 ILE B CD1 1 ATOM 2858 N N . ILE B 2 56 ? -49.511 20.602 8.058 1.00 35.79 ? 56 ILE B N 1 ATOM 2859 C CA . ILE B 2 56 ? -49.235 19.666 9.146 1.00 36.32 ? 56 ILE B CA 1 ATOM 2860 C C . ILE B 2 56 ? -48.030 20.064 10.018 1.00 36.96 ? 56 ILE B C 1 ATOM 2861 O O . ILE B 2 56 ? -48.136 20.099 11.246 1.00 37.14 ? 56 ILE B O 1 ATOM 2862 C CB . ILE B 2 56 ? -49.090 18.213 8.616 1.00 36.19 ? 56 ILE B CB 1 ATOM 2863 C CG1 . ILE B 2 56 ? -50.460 17.672 8.200 1.00 35.81 ? 56 ILE B CG1 1 ATOM 2864 C CG2 . ILE B 2 56 ? -48.439 17.294 9.658 1.00 35.90 ? 56 ILE B CG2 1 ATOM 2865 C CD1 . ILE B 2 56 ? -50.411 16.459 7.303 1.00 35.12 ? 56 ILE B CD1 1 ATOM 2866 N N . ASP B 2 57 ? -46.902 20.379 9.387 1.00 37.66 ? 57 ASP B N 1 ATOM 2867 C CA . ASP B 2 57 ? -45.638 20.556 10.107 1.00 38.37 ? 57 ASP B CA 1 ATOM 2868 C C . ASP B 2 57 ? -45.507 21.878 10.859 1.00 39.00 ? 57 ASP B C 1 ATOM 2869 O O . ASP B 2 57 ? -44.796 21.950 11.863 1.00 39.22 ? 57 ASP B O 1 ATOM 2870 C CB . ASP B 2 57 ? -44.442 20.386 9.162 1.00 38.37 ? 57 ASP B CB 1 ATOM 2871 C CG . ASP B 2 57 ? -44.422 19.035 8.467 1.00 38.14 ? 57 ASP B CG 1 ATOM 2872 O OD1 . ASP B 2 57 ? -44.968 18.051 9.014 1.00 37.54 ? 57 ASP B OD1 1 ATOM 2873 O OD2 . ASP B 2 57 ? -43.847 18.969 7.362 1.00 38.08 ? 57 ASP B OD2 1 ATOM 2874 N N . LYS B 2 58 ? -46.177 22.919 10.376 1.00 39.73 ? 58 LYS B N 1 ATOM 2875 C CA . LYS B 2 58 ? -46.093 24.240 11.006 1.00 40.53 ? 58 LYS B CA 1 ATOM 2876 C C . LYS B 2 58 ? -46.758 24.299 12.388 1.00 41.37 ? 58 LYS B C 1 ATOM 2877 O O . LYS B 2 58 ? -46.558 25.251 13.138 1.00 41.45 ? 58 LYS B O 1 ATOM 2878 C CB . LYS B 2 58 ? -46.663 25.323 10.083 1.00 40.28 ? 58 LYS B CB 1 ATOM 2879 C CG . LYS B 2 58 ? -45.823 25.605 8.846 1.00 39.63 ? 58 LYS B CG 1 ATOM 2880 C CD . LYS B 2 58 ? -44.611 26.461 9.161 1.00 39.36 ? 58 LYS B CD 1 ATOM 2881 C CE . LYS B 2 58 ? -43.805 26.751 7.910 1.00 39.50 ? 58 LYS B CE 1 ATOM 2882 N NZ . LYS B 2 58 ? -42.766 27.790 8.142 1.00 39.31 ? 58 LYS B NZ 1 ATOM 2883 N N . MET B 2 59 ? -47.543 23.275 12.712 1.00 42.56 ? 59 MET B N 1 ATOM 2884 C CA . MET B 2 59 ? -48.150 23.129 14.031 1.00 43.76 ? 59 MET B CA 1 ATOM 2885 C C . MET B 2 59 ? -47.054 22.955 15.082 1.00 44.68 ? 59 MET B C 1 ATOM 2886 O O . MET B 2 59 ? -46.189 22.080 14.944 1.00 44.93 ? 59 MET B O 1 ATOM 2887 C CB . MET B 2 59 ? -49.107 21.930 14.040 1.00 43.62 ? 59 MET B CB 1 ATOM 2888 C CG . MET B 2 59 ? -50.016 21.841 15.261 1.00 43.54 ? 59 MET B CG 1 ATOM 2889 S SD . MET B 2 59 ? -51.000 23.324 15.570 1.00 43.71 ? 59 MET B SD 1 ATOM 2890 C CE . MET B 2 59 ? -52.174 23.277 14.223 1.00 44.02 ? 59 MET B CE 1 ATOM 2891 N N . ASN B 2 60 ? -47.093 23.789 16.124 1.00 45.69 ? 60 ASN B N 1 ATOM 2892 C CA . ASN B 2 60 ? -46.023 23.821 17.131 1.00 46.67 ? 60 ASN B CA 1 ATOM 2893 C C . ASN B 2 60 ? -46.012 22.625 18.100 1.00 47.17 ? 60 ASN B C 1 ATOM 2894 O O . ASN B 2 60 ? -44.972 21.975 18.277 1.00 47.35 ? 60 ASN B O 1 ATOM 2895 C CB . ASN B 2 60 ? -46.020 25.154 17.893 1.00 46.69 ? 60 ASN B CB 1 ATOM 2896 C CG . ASN B 2 60 ? -44.631 25.545 18.382 1.00 46.95 ? 60 ASN B CG 1 ATOM 2897 O OD1 . ASN B 2 60 ? -44.403 25.693 19.581 1.00 47.48 ? 60 ASN B OD1 1 ATOM 2898 N ND2 . ASN B 2 60 ? -43.697 25.707 17.451 1.00 46.74 ? 60 ASN B ND2 1 ATOM 2899 N N . THR B 2 61 ? -47.165 22.341 18.710 1.00 47.60 ? 61 THR B N 1 ATOM 2900 C CA . THR B 2 61 ? -47.363 21.163 19.581 1.00 47.97 ? 61 THR B CA 1 ATOM 2901 C C . THR B 2 61 ? -46.244 20.884 20.592 1.00 48.09 ? 61 THR B C 1 ATOM 2902 O O . THR B 2 61 ? -45.522 19.884 20.504 1.00 48.00 ? 61 THR B O 1 ATOM 2903 C CB . THR B 2 61 ? -47.701 19.879 18.776 1.00 48.02 ? 61 THR B CB 1 ATOM 2904 O OG1 . THR B 2 61 ? -46.878 19.806 17.605 1.00 48.09 ? 61 THR B OG1 1 ATOM 2905 C CG2 . THR B 2 61 ? -49.158 19.897 18.350 1.00 48.41 ? 61 THR B CG2 1 ATOM 2906 N N . GLN B 2 62 ? -46.121 21.801 21.546 1.00 48.38 ? 62 GLN B N 1 ATOM 2907 C CA . GLN B 2 62 ? -45.267 21.633 22.721 1.00 48.59 ? 62 GLN B CA 1 ATOM 2908 C C . GLN B 2 62 ? -46.035 20.876 23.814 1.00 48.44 ? 62 GLN B C 1 ATOM 2909 O O . GLN B 2 62 ? -47.272 20.860 23.807 1.00 48.40 ? 62 GLN B O 1 ATOM 2910 C CB . GLN B 2 62 ? -44.820 23.006 23.234 1.00 48.76 ? 62 GLN B CB 1 ATOM 2911 C CG . GLN B 2 62 ? -45.958 24.046 23.312 1.00 49.35 ? 62 GLN B CG 1 ATOM 2912 C CD . GLN B 2 62 ? -45.454 25.468 23.517 1.00 50.13 ? 62 GLN B CD 1 ATOM 2913 O OE1 . GLN B 2 62 ? -44.427 25.691 24.159 1.00 50.60 ? 62 GLN B OE1 1 ATOM 2914 N NE2 . GLN B 2 62 ? -46.181 26.439 22.973 1.00 50.12 ? 62 GLN B NE2 1 ATOM 2915 N N . PHE B 2 63 ? -45.302 20.259 24.743 1.00 48.25 ? 63 PHE B N 1 ATOM 2916 C CA . PHE B 2 63 ? -45.900 19.514 25.863 1.00 48.01 ? 63 PHE B CA 1 ATOM 2917 C C . PHE B 2 63 ? -46.773 20.394 26.762 1.00 47.79 ? 63 PHE B C 1 ATOM 2918 O O . PHE B 2 63 ? -46.318 21.411 27.286 1.00 47.62 ? 63 PHE B O 1 ATOM 2919 C CB . PHE B 2 63 ? -44.809 18.824 26.700 1.00 48.10 ? 63 PHE B CB 1 ATOM 2920 C CG . PHE B 2 63 ? -45.336 18.076 27.905 1.00 48.00 ? 63 PHE B CG 1 ATOM 2921 C CD1 . PHE B 2 63 ? -45.625 16.715 27.826 1.00 48.27 ? 63 PHE B CD1 1 ATOM 2922 C CD2 . PHE B 2 63 ? -45.530 18.727 29.122 1.00 47.77 ? 63 PHE B CD2 1 ATOM 2923 C CE1 . PHE B 2 63 ? -46.108 16.016 28.937 1.00 47.87 ? 63 PHE B CE1 1 ATOM 2924 C CE2 . PHE B 2 63 ? -46.017 18.040 30.234 1.00 47.64 ? 63 PHE B CE2 1 ATOM 2925 C CZ . PHE B 2 63 ? -46.306 16.682 30.141 1.00 47.65 ? 63 PHE B CZ 1 ATOM 2926 N N . GLU B 2 64 ? -48.026 19.987 26.934 1.00 47.66 ? 64 GLU B N 1 ATOM 2927 C CA . GLU B 2 64 ? -48.963 20.671 27.820 1.00 47.56 ? 64 GLU B CA 1 ATOM 2928 C C . GLU B 2 64 ? -49.803 19.634 28.562 1.00 46.85 ? 64 GLU B C 1 ATOM 2929 O O . GLU B 2 64 ? -50.030 18.535 28.054 1.00 46.73 ? 64 GLU B O 1 ATOM 2930 C CB . GLU B 2 64 ? -49.871 21.617 27.025 1.00 47.89 ? 64 GLU B CB 1 ATOM 2931 C CG . GLU B 2 64 ? -49.140 22.715 26.247 1.00 50.36 ? 64 GLU B CG 1 ATOM 2932 C CD . GLU B 2 64 ? -50.053 23.527 25.319 1.00 54.45 ? 64 GLU B CD 1 ATOM 2933 O OE1 . GLU B 2 64 ? -51.242 23.152 25.150 1.00 56.05 ? 64 GLU B OE1 1 ATOM 2934 O OE2 . GLU B 2 64 ? -49.579 24.544 24.748 1.00 55.77 ? 64 GLU B OE2 1 ATOM 2935 N N . ALA B 2 65 ? -50.251 19.985 29.764 1.00 46.26 ? 65 ALA B N 1 ATOM 2936 C CA . ALA B 2 65 ? -51.142 19.129 30.549 1.00 45.68 ? 65 ALA B CA 1 ATOM 2937 C C . ALA B 2 65 ? -52.388 19.895 30.986 1.00 45.37 ? 65 ALA B C 1 ATOM 2938 O O . ALA B 2 65 ? -52.295 20.910 31.681 1.00 45.32 ? 65 ALA B O 1 ATOM 2939 C CB . ALA B 2 65 ? -50.416 18.560 31.750 1.00 45.65 ? 65 ALA B CB 1 ATOM 2940 N N . VAL B 2 66 ? -53.550 19.394 30.574 1.00 45.03 ? 66 VAL B N 1 ATOM 2941 C CA . VAL B 2 66 ? -54.836 20.059 30.815 1.00 44.67 ? 66 VAL B CA 1 ATOM 2942 C C . VAL B 2 66 ? -55.680 19.287 31.847 1.00 44.54 ? 66 VAL B C 1 ATOM 2943 O O . VAL B 2 66 ? -55.784 18.059 31.770 1.00 44.58 ? 66 VAL B O 1 ATOM 2944 C CB . VAL B 2 66 ? -55.628 20.206 29.488 1.00 44.57 ? 66 VAL B CB 1 ATOM 2945 C CG1 . VAL B 2 66 ? -56.691 21.286 29.602 1.00 44.57 ? 66 VAL B CG1 1 ATOM 2946 C CG2 . VAL B 2 66 ? -54.687 20.511 28.329 1.00 44.33 ? 66 VAL B CG2 1 ATOM 2947 N N . GLY B 2 67 ? -56.267 19.999 32.812 1.00 44.28 ? 67 GLY B N 1 ATOM 2948 C CA . GLY B 2 67 ? -57.140 19.367 33.810 1.00 44.13 ? 67 GLY B CA 1 ATOM 2949 C C . GLY B 2 67 ? -57.778 20.279 34.852 1.00 44.12 ? 67 GLY B C 1 ATOM 2950 O O . GLY B 2 67 ? -57.263 21.362 35.147 1.00 44.11 ? 67 GLY B O 1 ATOM 2951 N N . ARG B 2 68 ? -58.903 19.830 35.414 1.00 43.94 ? 68 ARG B N 1 ATOM 2952 C CA . ARG B 2 68 ? -59.574 20.520 36.527 1.00 43.67 ? 68 ARG B CA 1 ATOM 2953 C C . ARG B 2 68 ? -58.730 20.416 37.801 1.00 42.85 ? 68 ARG B C 1 ATOM 2954 O O . ARG B 2 68 ? -58.531 19.321 38.331 1.00 42.97 ? 68 ARG B O 1 ATOM 2955 C CB . ARG B 2 68 ? -60.958 19.912 36.806 1.00 44.06 ? 68 ARG B CB 1 ATOM 2956 C CG . ARG B 2 68 ? -61.859 19.669 35.593 1.00 45.82 ? 68 ARG B CG 1 ATOM 2957 C CD . ARG B 2 68 ? -62.535 20.949 35.113 1.00 48.41 ? 68 ARG B CD 1 ATOM 2958 N NE . ARG B 2 68 ? -62.116 21.313 33.760 1.00 50.55 ? 68 ARG B NE 1 ATOM 2959 C CZ . ARG B 2 68 ? -62.891 21.217 32.679 1.00 51.29 ? 68 ARG B CZ 1 ATOM 2960 N NH1 . ARG B 2 68 ? -64.146 20.774 32.784 1.00 51.66 ? 68 ARG B NH1 1 ATOM 2961 N NH2 . ARG B 2 68 ? -62.412 21.574 31.491 1.00 50.62 ? 68 ARG B NH2 1 ATOM 2962 N N . GLU B 2 69 ? -58.248 21.553 38.295 1.00 41.69 ? 69 GLU B N 1 ATOM 2963 C CA . GLU B 2 69 ? -57.333 21.565 39.434 1.00 40.43 ? 69 GLU B CA 1 ATOM 2964 C C . GLU B 2 69 ? -57.833 22.431 40.582 1.00 39.28 ? 69 GLU B C 1 ATOM 2965 O O . GLU B 2 69 ? -57.063 22.791 41.473 1.00 39.08 ? 69 GLU B O 1 ATOM 2966 C CB . GLU B 2 69 ? -55.946 22.038 38.985 1.00 40.71 ? 69 GLU B CB 1 ATOM 2967 C CG . GLU B 2 69 ? -55.338 21.204 37.871 1.00 41.78 ? 69 GLU B CG 1 ATOM 2968 C CD . GLU B 2 69 ? -53.836 21.369 37.755 1.00 43.24 ? 69 GLU B CD 1 ATOM 2969 O OE1 . GLU B 2 69 ? -53.115 20.389 38.059 1.00 44.12 ? 69 GLU B OE1 1 ATOM 2970 O OE2 . GLU B 2 69 ? -53.383 22.468 37.360 1.00 43.34 ? 69 GLU B OE2 1 ATOM 2971 N N . PHE B 2 70 ? -59.123 22.747 40.571 1.00 38.12 ? 70 PHE B N 1 ATOM 2972 C CA . PHE B 2 70 ? -59.679 23.706 41.523 1.00 37.01 ? 70 PHE B CA 1 ATOM 2973 C C . PHE B 2 70 ? -60.824 23.169 42.387 1.00 36.52 ? 70 PHE B C 1 ATOM 2974 O O . PHE B 2 70 ? -61.541 22.257 41.984 1.00 36.54 ? 70 PHE B O 1 ATOM 2975 C CB . PHE B 2 70 ? -60.100 24.968 40.779 1.00 36.81 ? 70 PHE B CB 1 ATOM 2976 C CG . PHE B 2 70 ? -58.986 25.600 39.996 1.00 35.91 ? 70 PHE B CG 1 ATOM 2977 C CD1 . PHE B 2 70 ? -57.985 26.323 40.644 1.00 35.16 ? 70 PHE B CD1 1 ATOM 2978 C CD2 . PHE B 2 70 ? -58.931 25.471 38.614 1.00 34.83 ? 70 PHE B CD2 1 ATOM 2979 C CE1 . PHE B 2 70 ? -56.944 26.903 39.927 1.00 34.52 ? 70 PHE B CE1 1 ATOM 2980 C CE2 . PHE B 2 70 ? -57.898 26.053 37.888 1.00 34.26 ? 70 PHE B CE2 1 ATOM 2981 C CZ . PHE B 2 70 ? -56.901 26.768 38.546 1.00 34.35 ? 70 PHE B CZ 1 ATOM 2982 N N . ASN B 2 71 ? -60.983 23.745 43.577 1.00 35.88 ? 71 ASN B N 1 ATOM 2983 C CA . ASN B 2 71 ? -61.988 23.292 44.542 1.00 35.35 ? 71 ASN B CA 1 ATOM 2984 C C . ASN B 2 71 ? -63.297 24.094 44.535 1.00 34.95 ? 71 ASN B C 1 ATOM 2985 O O . ASN B 2 71 ? -63.475 25.000 43.726 1.00 34.89 ? 71 ASN B O 1 ATOM 2986 C CB . ASN B 2 71 ? -61.390 23.224 45.957 1.00 35.33 ? 71 ASN B CB 1 ATOM 2987 C CG . ASN B 2 71 ? -60.958 24.587 46.491 1.00 35.44 ? 71 ASN B CG 1 ATOM 2988 O OD1 . ASN B 2 71 ? -61.742 25.538 46.535 1.00 35.17 ? 71 ASN B OD1 1 ATOM 2989 N ND2 . ASN B 2 71 ? -59.704 24.673 46.926 1.00 35.90 ? 71 ASN B ND2 1 ATOM 2990 N N . ASN B 2 72 ? -64.196 23.750 45.456 1.00 34.58 ? 72 ASN B N 1 ATOM 2991 C CA . ASN B 2 72 ? -65.531 24.352 45.553 1.00 34.09 ? 72 ASN B CA 1 ATOM 2992 C C . ASN B 2 72 ? -65.513 25.853 45.828 1.00 33.33 ? 72 ASN B C 1 ATOM 2993 O O . ASN B 2 72 ? -66.491 26.549 45.542 1.00 33.48 ? 72 ASN B O 1 ATOM 2994 C CB . ASN B 2 72 ? -66.367 23.652 46.635 1.00 34.29 ? 72 ASN B CB 1 ATOM 2995 C CG . ASN B 2 72 ? -66.140 22.146 46.673 1.00 35.95 ? 72 ASN B CG 1 ATOM 2996 O OD1 . ASN B 2 72 ? -65.027 21.674 46.968 1.00 37.50 ? 72 ASN B OD1 1 ATOM 2997 N ND2 . ASN B 2 72 ? -67.194 21.380 46.384 1.00 36.55 ? 72 ASN B ND2 1 ATOM 2998 N N . LEU B 2 73 ? -64.418 26.345 46.398 1.00 32.11 ? 73 LEU B N 1 ATOM 2999 C CA . LEU B 2 73 ? -64.298 27.762 46.691 1.00 31.12 ? 73 LEU B CA 1 ATOM 3000 C C . LEU B 2 73 ? -63.326 28.430 45.729 1.00 30.41 ? 73 LEU B C 1 ATOM 3001 O O . LEU B 2 73 ? -62.811 29.515 46.001 1.00 30.41 ? 73 LEU B O 1 ATOM 3002 C CB . LEU B 2 73 ? -63.882 27.987 48.151 1.00 31.33 ? 73 LEU B CB 1 ATOM 3003 C CG . LEU B 2 73 ? -64.897 27.669 49.265 1.00 31.81 ? 73 LEU B CG 1 ATOM 3004 C CD1 . LEU B 2 73 ? -64.250 27.772 50.648 1.00 32.08 ? 73 LEU B CD1 1 ATOM 3005 C CD2 . LEU B 2 73 ? -66.142 28.558 49.193 1.00 31.63 ? 73 LEU B CD2 1 ATOM 3006 N N . GLU B 2 74 ? -63.081 27.772 44.600 1.00 29.50 ? 74 GLU B N 1 ATOM 3007 C CA . GLU B 2 74 ? -62.216 28.305 43.550 1.00 28.45 ? 74 GLU B CA 1 ATOM 3008 C C . GLU B 2 74 ? -62.941 28.266 42.218 1.00 28.08 ? 74 GLU B C 1 ATOM 3009 O O . GLU B 2 74 ? -62.320 28.120 41.168 1.00 27.81 ? 74 GLU B O 1 ATOM 3010 C CB . GLU B 2 74 ? -60.922 27.502 43.468 1.00 28.17 ? 74 GLU B CB 1 ATOM 3011 C CG . GLU B 2 74 ? -59.915 27.845 44.544 1.00 27.72 ? 74 GLU B CG 1 ATOM 3012 C CD . GLU B 2 74 ? -58.658 26.991 44.477 1.00 27.70 ? 74 GLU B CD 1 ATOM 3013 O OE1 . GLU B 2 74 ? -58.713 25.862 43.950 1.00 27.28 ? 74 GLU B OE1 1 ATOM 3014 O OE2 . GLU B 2 74 ? -57.605 27.447 44.963 1.00 27.98 ? 74 GLU B OE2 1 ATOM 3015 N N . ARG B 2 75 ? -64.265 28.405 42.274 1.00 27.77 ? 75 ARG B N 1 ATOM 3016 C CA . ARG B 2 75 ? -65.123 28.277 41.096 1.00 27.57 ? 75 ARG B CA 1 ATOM 3017 C C . ARG B 2 75 ? -64.908 29.390 40.083 1.00 26.80 ? 75 ARG B C 1 ATOM 3018 O O . ARG B 2 75 ? -65.123 29.193 38.900 1.00 26.58 ? 75 ARG B O 1 ATOM 3019 C CB . ARG B 2 75 ? -66.595 28.216 41.509 1.00 28.04 ? 75 ARG B CB 1 ATOM 3020 C CG . ARG B 2 75 ? -66.979 26.966 42.291 1.00 30.14 ? 75 ARG B CG 1 ATOM 3021 C CD . ARG B 2 75 ? -67.497 25.851 41.383 1.00 35.27 ? 75 ARG B CD 1 ATOM 3022 N NE . ARG B 2 75 ? -67.152 24.520 41.896 1.00 38.96 ? 75 ARG B NE 1 ATOM 3023 C CZ . ARG B 2 75 ? -67.816 23.864 42.853 1.00 40.72 ? 75 ARG B CZ 1 ATOM 3024 N NH1 . ARG B 2 75 ? -68.893 24.400 43.436 1.00 41.38 ? 75 ARG B NH1 1 ATOM 3025 N NH2 . ARG B 2 75 ? -67.392 22.662 43.236 1.00 40.74 ? 75 ARG B NH2 1 ATOM 3026 N N . ARG B 2 76 ? -64.477 30.553 40.559 1.00 26.35 ? 76 ARG B N 1 ATOM 3027 C CA . ARG B 2 76 ? -64.229 31.712 39.708 1.00 25.71 ? 76 ARG B CA 1 ATOM 3028 C C . ARG B 2 76 ? -63.050 31.499 38.770 1.00 25.79 ? 76 ARG B C 1 ATOM 3029 O O . ARG B 2 76 ? -63.132 31.803 37.583 1.00 25.51 ? 76 ARG B O 1 ATOM 3030 C CB . ARG B 2 76 ? -63.978 32.949 40.560 1.00 25.40 ? 76 ARG B CB 1 ATOM 3031 C CG . ARG B 2 76 ? -65.223 33.540 41.175 1.00 23.90 ? 76 ARG B CG 1 ATOM 3032 C CD . ARG B 2 76 ? -64.858 34.704 42.051 1.00 21.75 ? 76 ARG B CD 1 ATOM 3033 N NE . ARG B 2 76 ? -63.970 34.277 43.126 1.00 20.38 ? 76 ARG B NE 1 ATOM 3034 C CZ . ARG B 2 76 ? -62.981 35.010 43.624 1.00 18.93 ? 76 ARG B CZ 1 ATOM 3035 N NH1 . ARG B 2 76 ? -62.728 36.221 43.153 1.00 18.41 ? 76 ARG B NH1 1 ATOM 3036 N NH2 . ARG B 2 76 ? -62.234 34.522 44.594 1.00 18.48 ? 76 ARG B NH2 1 ATOM 3037 N N . ILE B 2 77 ? -61.948 30.994 39.316 1.00 26.05 ? 77 ILE B N 1 ATOM 3038 C CA . ILE B 2 77 ? -60.765 30.700 38.511 1.00 26.12 ? 77 ILE B CA 1 ATOM 3039 C C . ILE B 2 77 ? -60.963 29.456 37.645 1.00 26.17 ? 77 ILE B C 1 ATOM 3040 O O . ILE B 2 77 ? -60.501 29.423 36.504 1.00 26.43 ? 77 ILE B O 1 ATOM 3041 C CB . ILE B 2 77 ? -59.448 30.651 39.343 1.00 25.99 ? 77 ILE B CB 1 ATOM 3042 C CG1 . ILE B 2 77 ? -58.303 30.132 38.490 1.00 26.48 ? 77 ILE B CG1 1 ATOM 3043 C CG2 . ILE B 2 77 ? -59.586 29.787 40.566 1.00 26.09 ? 77 ILE B CG2 1 ATOM 3044 C CD1 . ILE B 2 77 ? -56.943 30.421 39.061 1.00 28.92 ? 77 ILE B CD1 1 ATOM 3045 N N . GLU B 2 78 ? -61.670 28.451 38.161 1.00 26.08 ? 78 GLU B N 1 ATOM 3046 C CA . GLU B 2 78 ? -62.028 27.295 37.338 1.00 26.16 ? 78 GLU B CA 1 ATOM 3047 C C . GLU B 2 78 ? -62.794 27.757 36.103 1.00 25.75 ? 78 GLU B C 1 ATOM 3048 O O . GLU B 2 78 ? -62.650 27.188 35.025 1.00 25.75 ? 78 GLU B O 1 ATOM 3049 C CB . GLU B 2 78 ? -62.852 26.266 38.128 1.00 26.52 ? 78 GLU B CB 1 ATOM 3050 C CG . GLU B 2 78 ? -63.242 25.008 37.331 1.00 28.33 ? 78 GLU B CG 1 ATOM 3051 C CD . GLU B 2 78 ? -62.046 24.366 36.594 1.00 31.78 ? 78 GLU B CD 1 ATOM 3052 O OE1 . GLU B 2 78 ? -61.201 23.718 37.276 1.00 32.42 ? 78 GLU B OE1 1 ATOM 3053 O OE2 . GLU B 2 78 ? -61.960 24.507 35.339 1.00 31.96 ? 78 GLU B OE2 1 ATOM 3054 N N . ASN B 2 79 ? -63.602 28.798 36.282 1.00 25.45 ? 79 ASN B N 1 ATOM 3055 C CA . ASN B 2 79 ? -64.371 29.396 35.204 1.00 25.26 ? 79 ASN B CA 1 ATOM 3056 C C . ASN B 2 79 ? -63.457 30.156 34.240 1.00 25.16 ? 79 ASN B C 1 ATOM 3057 O O . ASN B 2 79 ? -63.652 30.094 33.031 1.00 25.24 ? 79 ASN B O 1 ATOM 3058 C CB . ASN B 2 79 ? -65.473 30.294 35.788 1.00 25.32 ? 79 ASN B CB 1 ATOM 3059 C CG . ASN B 2 79 ? -66.192 31.127 34.737 1.00 25.48 ? 79 ASN B CG 1 ATOM 3060 O OD1 . ASN B 2 79 ? -66.883 30.596 33.872 1.00 26.57 ? 79 ASN B OD1 1 ATOM 3061 N ND2 . ASN B 2 79 ? -66.048 32.446 34.829 1.00 25.40 ? 79 ASN B ND2 1 ATOM 3062 N N . LEU B 2 80 ? -62.451 30.849 34.775 1.00 25.03 ? 80 LEU B N 1 ATOM 3063 C CA . LEU B 2 80 ? -61.472 31.557 33.950 1.00 24.88 ? 80 LEU B CA 1 ATOM 3064 C C . LEU B 2 80 ? -60.708 30.554 33.094 1.00 24.94 ? 80 LEU B C 1 ATOM 3065 O O . LEU B 2 80 ? -60.454 30.794 31.910 1.00 24.74 ? 80 LEU B O 1 ATOM 3066 C CB . LEU B 2 80 ? -60.521 32.398 34.821 1.00 24.79 ? 80 LEU B CB 1 ATOM 3067 C CG . LEU B 2 80 ? -59.220 33.021 34.272 1.00 24.88 ? 80 LEU B CG 1 ATOM 3068 C CD1 . LEU B 2 80 ? -59.414 33.879 33.029 1.00 25.54 ? 80 LEU B CD1 1 ATOM 3069 C CD2 . LEU B 2 80 ? -58.548 33.848 35.338 1.00 25.00 ? 80 LEU B CD2 1 ATOM 3070 N N . ASN B 2 81 ? -60.361 29.427 33.707 1.00 25.20 ? 81 ASN B N 1 ATOM 3071 C CA . ASN B 2 81 ? -59.725 28.322 33.010 1.00 25.52 ? 81 ASN B CA 1 ATOM 3072 C C . ASN B 2 81 ? -60.578 27.839 31.845 1.00 25.64 ? 81 ASN B C 1 ATOM 3073 O O . ASN B 2 81 ? -60.084 27.729 30.726 1.00 25.66 ? 81 ASN B O 1 ATOM 3074 C CB . ASN B 2 81 ? -59.449 27.173 33.978 1.00 25.60 ? 81 ASN B CB 1 ATOM 3075 C CG . ASN B 2 81 ? -58.555 26.119 33.382 1.00 26.22 ? 81 ASN B CG 1 ATOM 3076 O OD1 . ASN B 2 81 ? -58.958 25.396 32.476 1.00 27.62 ? 81 ASN B OD1 1 ATOM 3077 N ND2 . ASN B 2 81 ? -57.326 26.022 33.887 1.00 26.85 ? 81 ASN B ND2 1 ATOM 3078 N N . LYS B 2 82 ? -61.855 27.569 32.114 1.00 25.83 ? 82 LYS B N 1 ATOM 3079 C CA . LYS B 2 82 ? -62.796 27.130 31.091 1.00 26.14 ? 82 LYS B CA 1 ATOM 3080 C C . LYS B 2 82 ? -62.974 28.162 29.979 1.00 26.25 ? 82 LYS B C 1 ATOM 3081 O O . LYS B 2 82 ? -63.036 27.806 28.804 1.00 26.42 ? 82 LYS B O 1 ATOM 3082 C CB . LYS B 2 82 ? -64.141 26.725 31.715 1.00 26.28 ? 82 LYS B CB 1 ATOM 3083 C CG . LYS B 2 82 ? -65.368 27.406 31.100 1.00 27.24 ? 82 LYS B CG 1 ATOM 3084 C CD . LYS B 2 82 ? -66.544 26.459 30.876 1.00 28.19 ? 82 LYS B CD 1 ATOM 3085 C CE . LYS B 2 82 ? -67.795 27.259 30.512 1.00 28.10 ? 82 LYS B CE 1 ATOM 3086 N NZ . LYS B 2 82 ? -68.737 26.501 29.647 1.00 28.62 ? 82 LYS B NZ 1 ATOM 3087 N N . LYS B 2 83 ? -63.040 29.437 30.346 1.00 26.51 ? 83 LYS B N 1 ATOM 3088 C CA . LYS B 2 83 ? -63.169 30.499 29.360 1.00 26.76 ? 83 LYS B CA 1 ATOM 3089 C C . LYS B 2 83 ? -62.025 30.455 28.362 1.00 26.86 ? 83 LYS B C 1 ATOM 3090 O O . LYS B 2 83 ? -62.269 30.463 27.160 1.00 27.17 ? 83 LYS B O 1 ATOM 3091 C CB . LYS B 2 83 ? -63.271 31.871 30.023 1.00 26.82 ? 83 LYS B CB 1 ATOM 3092 C CG . LYS B 2 83 ? -64.707 32.296 30.340 1.00 28.00 ? 83 LYS B CG 1 ATOM 3093 C CD . LYS B 2 83 ? -64.777 33.329 31.480 1.00 30.12 ? 83 LYS B CD 1 ATOM 3094 C CE . LYS B 2 83 ? -64.112 34.667 31.104 1.00 31.72 ? 83 LYS B CE 1 ATOM 3095 N NZ . LYS B 2 83 ? -64.155 35.677 32.208 1.00 32.02 ? 83 LYS B NZ 1 ATOM 3096 N N . MET B 2 84 ? -60.784 30.382 28.841 1.00 26.97 ? 84 MET B N 1 ATOM 3097 C CA . MET B 2 84 ? -59.650 30.341 27.917 1.00 27.09 ? 84 MET B CA 1 ATOM 3098 C C . MET B 2 84 ? -59.542 28.996 27.228 1.00 27.28 ? 84 MET B C 1 ATOM 3099 O O . MET B 2 84 ? -59.122 28.915 26.076 1.00 27.33 ? 84 MET B O 1 ATOM 3100 C CB . MET B 2 84 ? -58.325 30.715 28.584 1.00 27.02 ? 84 MET B CB 1 ATOM 3101 C CG . MET B 2 84 ? -57.755 29.685 29.520 1.00 27.25 ? 84 MET B CG 1 ATOM 3102 S SD . MET B 2 84 ? -56.012 29.398 29.185 1.00 27.24 ? 84 MET B SD 1 ATOM 3103 C CE . MET B 2 84 ? -56.095 28.023 28.042 1.00 26.10 ? 84 MET B CE 1 ATOM 3104 N N . GLU B 2 85 ? -59.934 27.944 27.934 1.00 27.55 ? 85 GLU B N 1 ATOM 3105 C CA . GLU B 2 85 ? -59.889 26.602 27.381 1.00 27.89 ? 85 GLU B CA 1 ATOM 3106 C C . GLU B 2 85 ? -60.783 26.502 26.150 1.00 27.82 ? 85 GLU B C 1 ATOM 3107 O O . GLU B 2 85 ? -60.344 26.038 25.099 1.00 28.02 ? 85 GLU B O 1 ATOM 3108 C CB . GLU B 2 85 ? -60.299 25.580 28.428 1.00 27.97 ? 85 GLU B CB 1 ATOM 3109 C CG . GLU B 2 85 ? -59.848 24.188 28.126 1.00 29.28 ? 85 GLU B CG 1 ATOM 3110 C CD . GLU B 2 85 ? -60.375 23.193 29.140 1.00 32.06 ? 85 GLU B CD 1 ATOM 3111 O OE1 . GLU B 2 85 ? -59.888 23.190 30.304 1.00 32.03 ? 85 GLU B OE1 1 ATOM 3112 O OE2 . GLU B 2 85 ? -61.276 22.407 28.759 1.00 33.48 ? 85 GLU B OE2 1 ATOM 3113 N N . ASP B 2 86 ? -62.029 26.946 26.259 1.00 27.63 ? 86 ASP B N 1 ATOM 3114 C CA . ASP B 2 86 ? -62.879 26.890 25.085 1.00 27.70 ? 86 ASP B CA 1 ATOM 3115 C C . ASP B 2 86 ? -62.881 28.194 24.291 1.00 27.27 ? 86 ASP B C 1 ATOM 3116 O O . ASP B 2 86 ? -63.670 28.378 23.360 1.00 27.36 ? 86 ASP B O 1 ATOM 3117 C CB . ASP B 2 86 ? -64.280 26.318 25.383 1.00 28.20 ? 86 ASP B CB 1 ATOM 3118 C CG . ASP B 2 86 ? -65.039 27.098 26.437 1.00 29.16 ? 86 ASP B CG 1 ATOM 3119 O OD1 . ASP B 2 86 ? -65.214 28.327 26.272 1.00 30.43 ? 86 ASP B OD1 1 ATOM 3120 O OD2 . ASP B 2 86 ? -65.499 26.461 27.412 1.00 29.90 ? 86 ASP B OD2 1 ATOM 3121 N N . GLY B 2 87 ? -61.966 29.088 24.659 1.00 26.74 ? 87 GLY B N 1 ATOM 3122 C CA . GLY B 2 87 ? -61.660 30.263 23.849 1.00 25.82 ? 87 GLY B CA 1 ATOM 3123 C C . GLY B 2 87 ? -60.843 29.811 22.663 1.00 25.21 ? 87 GLY B C 1 ATOM 3124 O O . GLY B 2 87 ? -61.173 30.114 21.527 1.00 24.98 ? 87 GLY B O 1 ATOM 3125 N N . PHE B 2 88 ? -59.779 29.062 22.952 1.00 25.00 ? 88 PHE B N 1 ATOM 3126 C CA . PHE B 2 88 ? -58.893 28.477 21.943 1.00 24.51 ? 88 PHE B CA 1 ATOM 3127 C C . PHE B 2 88 ? -59.597 27.419 21.131 1.00 24.59 ? 88 PHE B C 1 ATOM 3128 O O . PHE B 2 88 ? -59.308 27.240 19.950 1.00 24.73 ? 88 PHE B O 1 ATOM 3129 C CB . PHE B 2 88 ? -57.671 27.842 22.599 1.00 24.27 ? 88 PHE B CB 1 ATOM 3130 C CG . PHE B 2 88 ? -56.698 28.833 23.157 1.00 23.61 ? 88 PHE B CG 1 ATOM 3131 C CD1 . PHE B 2 88 ? -55.981 29.673 22.319 1.00 22.91 ? 88 PHE B CD1 1 ATOM 3132 C CD2 . PHE B 2 88 ? -56.481 28.915 24.520 1.00 22.76 ? 88 PHE B CD2 1 ATOM 3133 C CE1 . PHE B 2 88 ? -55.073 30.588 22.835 1.00 22.24 ? 88 PHE B CE1 1 ATOM 3134 C CE2 . PHE B 2 88 ? -55.575 29.824 25.036 1.00 22.51 ? 88 PHE B CE2 1 ATOM 3135 C CZ . PHE B 2 88 ? -54.869 30.660 24.190 1.00 21.96 ? 88 PHE B CZ 1 ATOM 3136 N N . LEU B 2 89 ? -60.515 26.701 21.764 1.00 24.64 ? 89 LEU B N 1 ATOM 3137 C CA . LEU B 2 89 ? -61.304 25.731 21.035 1.00 24.71 ? 89 LEU B CA 1 ATOM 3138 C C . LEU B 2 89 ? -62.047 26.417 19.880 1.00 24.69 ? 89 LEU B C 1 ATOM 3139 O O . LEU B 2 89 ? -62.094 25.873 18.782 1.00 24.89 ? 89 LEU B O 1 ATOM 3140 C CB . LEU B 2 89 ? -62.258 24.982 21.971 1.00 24.81 ? 89 LEU B CB 1 ATOM 3141 C CG . LEU B 2 89 ? -63.223 23.925 21.412 1.00 24.83 ? 89 LEU B CG 1 ATOM 3142 C CD1 . LEU B 2 89 ? -62.505 22.858 20.616 1.00 24.70 ? 89 LEU B CD1 1 ATOM 3143 C CD2 . LEU B 2 89 ? -64.004 23.296 22.550 1.00 25.10 ? 89 LEU B CD2 1 ATOM 3144 N N . ASP B 2 90 ? -62.593 27.610 20.118 1.00 24.43 ? 90 ASP B N 1 ATOM 3145 C CA . ASP B 2 90 ? -63.303 28.350 19.069 1.00 24.40 ? 90 ASP B CA 1 ATOM 3146 C C . ASP B 2 90 ? -62.370 28.874 17.982 1.00 24.16 ? 90 ASP B C 1 ATOM 3147 O O . ASP B 2 90 ? -62.703 28.832 16.793 1.00 24.11 ? 90 ASP B O 1 ATOM 3148 C CB . ASP B 2 90 ? -64.107 29.509 19.657 1.00 24.58 ? 90 ASP B CB 1 ATOM 3149 C CG . ASP B 2 90 ? -65.266 29.044 20.513 1.00 25.69 ? 90 ASP B CG 1 ATOM 3150 O OD1 . ASP B 2 90 ? -65.762 29.875 21.314 1.00 26.75 ? 90 ASP B OD1 1 ATOM 3151 O OD2 . ASP B 2 90 ? -65.676 27.859 20.390 1.00 26.34 ? 90 ASP B OD2 1 ATOM 3152 N N . VAL B 2 91 ? -61.211 29.376 18.400 1.00 23.88 ? 91 VAL B N 1 ATOM 3153 C CA . VAL B 2 91 ? -60.207 29.898 17.484 1.00 23.48 ? 91 VAL B CA 1 ATOM 3154 C C . VAL B 2 91 ? -59.753 28.780 16.551 1.00 23.64 ? 91 VAL B C 1 ATOM 3155 O O . VAL B 2 91 ? -59.833 28.917 15.331 1.00 23.64 ? 91 VAL B O 1 ATOM 3156 C CB . VAL B 2 91 ? -59.006 30.512 18.243 1.00 23.23 ? 91 VAL B CB 1 ATOM 3157 C CG1 . VAL B 2 91 ? -57.875 30.861 17.295 1.00 23.09 ? 91 VAL B CG1 1 ATOM 3158 C CG2 . VAL B 2 91 ? -59.436 31.741 19.005 1.00 23.02 ? 91 VAL B CG2 1 ATOM 3159 N N . TRP B 2 92 ? -59.313 27.665 17.128 1.00 23.72 ? 92 TRP B N 1 ATOM 3160 C CA . TRP B 2 92 ? -58.762 26.577 16.337 1.00 23.96 ? 92 TRP B CA 1 ATOM 3161 C C . TRP B 2 92 ? -59.782 25.959 15.393 1.00 24.14 ? 92 TRP B C 1 ATOM 3162 O O . TRP B 2 92 ? -59.490 25.769 14.216 1.00 24.24 ? 92 TRP B O 1 ATOM 3163 C CB . TRP B 2 92 ? -58.100 25.524 17.226 1.00 24.00 ? 92 TRP B CB 1 ATOM 3164 C CG . TRP B 2 92 ? -56.785 25.979 17.771 1.00 24.13 ? 92 TRP B CG 1 ATOM 3165 C CD1 . TRP B 2 92 ? -56.495 26.254 19.067 1.00 24.60 ? 92 TRP B CD1 1 ATOM 3166 C CD2 . TRP B 2 92 ? -55.583 26.237 17.028 1.00 24.46 ? 92 TRP B CD2 1 ATOM 3167 N NE1 . TRP B 2 92 ? -55.186 26.662 19.188 1.00 25.10 ? 92 TRP B NE1 1 ATOM 3168 C CE2 . TRP B 2 92 ? -54.606 26.661 17.949 1.00 24.43 ? 92 TRP B CE2 1 ATOM 3169 C CE3 . TRP B 2 92 ? -55.239 26.146 15.673 1.00 24.49 ? 92 TRP B CE3 1 ATOM 3170 C CZ2 . TRP B 2 92 ? -53.306 26.987 17.566 1.00 24.08 ? 92 TRP B CZ2 1 ATOM 3171 C CZ3 . TRP B 2 92 ? -53.946 26.471 15.294 1.00 24.18 ? 92 TRP B CZ3 1 ATOM 3172 C CH2 . TRP B 2 92 ? -52.997 26.887 16.239 1.00 24.17 ? 92 TRP B CH2 1 ATOM 3173 N N . THR B 2 93 ? -60.975 25.666 15.902 1.00 24.44 ? 93 THR B N 1 ATOM 3174 C CA . THR B 2 93 ? -62.042 25.089 15.093 1.00 24.75 ? 93 THR B CA 1 ATOM 3175 C C . THR B 2 93 ? -62.319 25.963 13.876 1.00 25.32 ? 93 THR B C 1 ATOM 3176 O O . THR B 2 93 ? -62.200 25.508 12.739 1.00 25.46 ? 93 THR B O 1 ATOM 3177 C CB . THR B 2 93 ? -63.323 24.891 15.915 1.00 24.56 ? 93 THR B CB 1 ATOM 3178 O OG1 . THR B 2 93 ? -63.049 23.994 16.996 1.00 24.47 ? 93 THR B OG1 1 ATOM 3179 C CG2 . THR B 2 93 ? -64.435 24.310 15.056 1.00 24.61 ? 93 THR B CG2 1 ATOM 3180 N N . TYR B 2 94 ? -62.649 27.226 14.123 1.00 25.93 ? 94 TYR B N 1 ATOM 3181 C CA . TYR B 2 94 ? -62.959 28.169 13.060 1.00 26.35 ? 94 TYR B CA 1 ATOM 3182 C C . TYR B 2 94 ? -61.847 28.244 12.008 1.00 26.93 ? 94 TYR B C 1 ATOM 3183 O O . TYR B 2 94 ? -62.109 28.154 10.809 1.00 27.18 ? 94 TYR B O 1 ATOM 3184 C CB . TYR B 2 94 ? -63.236 29.547 13.653 1.00 26.13 ? 94 TYR B CB 1 ATOM 3185 C CG . TYR B 2 94 ? -63.841 30.516 12.675 1.00 26.20 ? 94 TYR B CG 1 ATOM 3186 C CD1 . TYR B 2 94 ? -65.179 30.409 12.299 1.00 25.93 ? 94 TYR B CD1 1 ATOM 3187 C CD2 . TYR B 2 94 ? -63.076 31.544 12.122 1.00 26.00 ? 94 TYR B CD2 1 ATOM 3188 C CE1 . TYR B 2 94 ? -65.736 31.297 11.398 1.00 26.38 ? 94 TYR B CE1 1 ATOM 3189 C CE2 . TYR B 2 94 ? -63.624 32.439 11.218 1.00 25.89 ? 94 TYR B CE2 1 ATOM 3190 C CZ . TYR B 2 94 ? -64.953 32.311 10.858 1.00 26.47 ? 94 TYR B CZ 1 ATOM 3191 O OH . TYR B 2 94 ? -65.505 33.199 9.958 1.00 27.28 ? 94 TYR B OH 1 ATOM 3192 N N . ASN B 2 95 ? -60.605 28.389 12.449 1.00 27.56 ? 95 ASN B N 1 ATOM 3193 C CA . ASN B 2 95 ? -59.514 28.565 11.506 1.00 28.30 ? 95 ASN B CA 1 ATOM 3194 C C . ASN B 2 95 ? -59.153 27.279 10.760 1.00 28.72 ? 95 ASN B C 1 ATOM 3195 O O . ASN B 2 95 ? -58.794 27.328 9.582 1.00 28.96 ? 95 ASN B O 1 ATOM 3196 C CB . ASN B 2 95 ? -58.293 29.207 12.177 1.00 28.38 ? 95 ASN B CB 1 ATOM 3197 C CG . ASN B 2 95 ? -58.541 30.663 12.599 1.00 29.23 ? 95 ASN B CG 1 ATOM 3198 O OD1 . ASN B 2 95 ? -57.672 31.291 13.197 1.00 30.64 ? 95 ASN B OD1 1 ATOM 3199 N ND2 . ASN B 2 95 ? -59.724 31.197 12.295 1.00 29.50 ? 95 ASN B ND2 1 ATOM 3200 N N . ALA B 2 96 ? -59.268 26.132 11.429 1.00 28.98 ? 96 ALA B N 1 ATOM 3201 C CA . ALA B 2 96 ? -58.993 24.853 10.772 1.00 29.21 ? 96 ALA B CA 1 ATOM 3202 C C . ALA B 2 96 ? -60.062 24.562 9.731 1.00 29.57 ? 96 ALA B C 1 ATOM 3203 O O . ALA B 2 96 ? -59.747 24.133 8.620 1.00 29.71 ? 96 ALA B O 1 ATOM 3204 C CB . ALA B 2 96 ? -58.909 23.731 11.775 1.00 29.03 ? 96 ALA B CB 1 ATOM 3205 N N . GLU B 2 97 ? -61.321 24.814 10.089 1.00 29.89 ? 97 GLU B N 1 ATOM 3206 C CA . GLU B 2 97 ? -62.436 24.618 9.171 1.00 30.24 ? 97 GLU B CA 1 ATOM 3207 C C . GLU B 2 97 ? -62.219 25.436 7.910 1.00 30.43 ? 97 GLU B C 1 ATOM 3208 O O . GLU B 2 97 ? -62.256 24.899 6.804 1.00 30.64 ? 97 GLU B O 1 ATOM 3209 C CB . GLU B 2 97 ? -63.761 25.004 9.824 1.00 30.14 ? 97 GLU B CB 1 ATOM 3210 C CG . GLU B 2 97 ? -64.177 24.116 10.989 1.00 30.93 ? 97 GLU B CG 1 ATOM 3211 C CD . GLU B 2 97 ? -64.913 22.852 10.576 1.00 32.03 ? 97 GLU B CD 1 ATOM 3212 O OE1 . GLU B 2 97 ? -64.614 22.287 9.501 1.00 33.44 ? 97 GLU B OE1 1 ATOM 3213 O OE2 . GLU B 2 97 ? -65.793 22.410 11.346 1.00 32.52 ? 97 GLU B OE2 1 ATOM 3214 N N . LEU B 2 98 ? -61.960 26.728 8.093 1.00 30.62 ? 98 LEU B N 1 ATOM 3215 C CA . LEU B 2 98 ? -61.747 27.649 6.978 1.00 30.66 ? 98 LEU B CA 1 ATOM 3216 C C . LEU B 2 98 ? -60.462 27.389 6.214 1.00 30.66 ? 98 LEU B C 1 ATOM 3217 O O . LEU B 2 98 ? -60.458 27.448 4.990 1.00 30.85 ? 98 LEU B O 1 ATOM 3218 C CB . LEU B 2 98 ? -61.802 29.098 7.451 1.00 30.58 ? 98 LEU B CB 1 ATOM 3219 C CG . LEU B 2 98 ? -63.128 29.810 7.193 1.00 30.72 ? 98 LEU B CG 1 ATOM 3220 C CD1 . LEU B 2 98 ? -64.334 28.971 7.593 1.00 30.49 ? 98 LEU B CD1 1 ATOM 3221 C CD2 . LEU B 2 98 ? -63.131 31.121 7.935 1.00 31.54 ? 98 LEU B CD2 1 ATOM 3222 N N . LEU B 2 99 ? -59.376 27.104 6.926 1.00 30.69 ? 99 LEU B N 1 ATOM 3223 C CA . LEU B 2 99 ? -58.102 26.813 6.275 1.00 30.69 ? 99 LEU B CA 1 ATOM 3224 C C . LEU B 2 99 ? -58.289 25.747 5.202 1.00 30.70 ? 99 LEU B C 1 ATOM 3225 O O . LEU B 2 99 ? -57.835 25.907 4.066 1.00 30.68 ? 99 LEU B O 1 ATOM 3226 C CB . LEU B 2 99 ? -57.067 26.341 7.291 1.00 30.63 ? 99 LEU B CB 1 ATOM 3227 C CG . LEU B 2 99 ? -55.678 26.109 6.703 1.00 30.61 ? 99 LEU B CG 1 ATOM 3228 C CD1 . LEU B 2 99 ? -54.948 27.429 6.568 1.00 30.61 ? 99 LEU B CD1 1 ATOM 3229 C CD2 . LEU B 2 99 ? -54.903 25.157 7.572 1.00 30.89 ? 99 LEU B CD2 1 ATOM 3230 N N . VAL B 2 100 ? -58.973 24.668 5.584 1.00 30.71 ? 100 VAL B N 1 ATOM 3231 C CA . VAL B 2 100 ? -59.299 23.566 4.686 1.00 30.58 ? 100 VAL B CA 1 ATOM 3232 C C . VAL B 2 100 ? -60.154 24.040 3.515 1.00 30.64 ? 100 VAL B C 1 ATOM 3233 O O . VAL B 2 100 ? -59.780 23.848 2.364 1.00 30.69 ? 100 VAL B O 1 ATOM 3234 C CB . VAL B 2 100 ? -60.009 22.427 5.443 1.00 30.43 ? 100 VAL B CB 1 ATOM 3235 C CG1 . VAL B 2 100 ? -60.571 21.397 4.477 1.00 30.11 ? 100 VAL B CG1 1 ATOM 3236 C CG2 . VAL B 2 100 ? -59.045 21.780 6.415 1.00 30.18 ? 100 VAL B CG2 1 ATOM 3237 N N . LEU B 2 101 ? -61.283 24.673 3.821 1.00 30.68 ? 101 LEU B N 1 ATOM 3238 C CA . LEU B 2 101 ? -62.210 25.141 2.802 1.00 30.86 ? 101 LEU B CA 1 ATOM 3239 C C . LEU B 2 101 ? -61.546 26.067 1.790 1.00 31.21 ? 101 LEU B C 1 ATOM 3240 O O . LEU B 2 101 ? -61.748 25.913 0.586 1.00 31.34 ? 101 LEU B O 1 ATOM 3241 C CB . LEU B 2 101 ? -63.423 25.818 3.446 1.00 30.81 ? 101 LEU B CB 1 ATOM 3242 C CG . LEU B 2 101 ? -64.710 25.000 3.611 1.00 30.65 ? 101 LEU B CG 1 ATOM 3243 C CD1 . LEU B 2 101 ? -64.525 23.776 4.499 1.00 31.42 ? 101 LEU B CD1 1 ATOM 3244 C CD2 . LEU B 2 101 ? -65.810 25.885 4.164 1.00 30.95 ? 101 LEU B CD2 1 ATOM 3245 N N . MET B 2 102 ? -60.753 27.016 2.284 1.00 31.58 ? 102 MET B N 1 ATOM 3246 C CA . MET B 2 102 ? -60.028 27.956 1.435 1.00 32.01 ? 102 MET B CA 1 ATOM 3247 C C . MET B 2 102 ? -59.016 27.254 0.537 1.00 32.11 ? 102 MET B C 1 ATOM 3248 O O . MET B 2 102 ? -59.053 27.425 -0.679 1.00 32.14 ? 102 MET B O 1 ATOM 3249 C CB . MET B 2 102 ? -59.297 28.994 2.279 1.00 32.29 ? 102 MET B CB 1 ATOM 3250 C CG . MET B 2 102 ? -60.148 30.110 2.846 1.00 33.20 ? 102 MET B CG 1 ATOM 3251 S SD . MET B 2 102 ? -59.182 30.948 4.127 1.00 35.68 ? 102 MET B SD 1 ATOM 3252 C CE . MET B 2 102 ? -59.508 32.674 3.775 1.00 35.46 ? 102 MET B CE 1 ATOM 3253 N N . GLU B 2 103 ? -58.115 26.470 1.135 1.00 32.30 ? 103 GLU B N 1 ATOM 3254 C CA . GLU B 2 103 ? -57.028 25.833 0.380 1.00 32.42 ? 103 GLU B CA 1 ATOM 3255 C C . GLU B 2 103 ? -57.507 24.749 -0.583 1.00 32.57 ? 103 GLU B C 1 ATOM 3256 O O . GLU B 2 103 ? -56.804 24.406 -1.533 1.00 32.78 ? 103 GLU B O 1 ATOM 3257 C CB . GLU B 2 103 ? -55.915 25.311 1.297 1.00 32.16 ? 103 GLU B CB 1 ATOM 3258 C CG . GLU B 2 103 ? -54.974 26.392 1.849 1.00 32.72 ? 103 GLU B CG 1 ATOM 3259 C CD . GLU B 2 103 ? -54.268 27.240 0.777 1.00 33.92 ? 103 GLU B CD 1 ATOM 3260 O OE1 . GLU B 2 103 ? -53.841 26.698 -0.264 1.00 34.83 ? 103 GLU B OE1 1 ATOM 3261 O OE2 . GLU B 2 103 ? -54.122 28.465 0.981 1.00 33.68 ? 103 GLU B OE2 1 ATOM 3262 N N . ASN B 2 104 ? -58.699 24.217 -0.347 1.00 32.77 ? 104 ASN B N 1 ATOM 3263 C CA . ASN B 2 104 ? -59.297 23.284 -1.285 1.00 33.07 ? 104 ASN B CA 1 ATOM 3264 C C . ASN B 2 104 ? -59.702 24.016 -2.561 1.00 33.63 ? 104 ASN B C 1 ATOM 3265 O O . ASN B 2 104 ? -59.339 23.595 -3.659 1.00 33.78 ? 104 ASN B O 1 ATOM 3266 C CB . ASN B 2 104 ? -60.474 22.538 -0.653 1.00 32.88 ? 104 ASN B CB 1 ATOM 3267 C CG . ASN B 2 104 ? -60.029 21.411 0.268 1.00 32.55 ? 104 ASN B CG 1 ATOM 3268 O OD1 . ASN B 2 104 ? -58.844 21.087 0.353 1.00 32.90 ? 104 ASN B OD1 1 ATOM 3269 N ND2 . ASN B 2 104 ? -60.984 20.803 0.960 1.00 32.23 ? 104 ASN B ND2 1 ATOM 3270 N N . GLU B 2 105 ? -60.427 25.123 -2.409 1.00 34.19 ? 105 GLU B N 1 ATOM 3271 C CA . GLU B 2 105 ? -60.715 26.027 -3.515 1.00 34.88 ? 105 GLU B CA 1 ATOM 3272 C C . GLU B 2 105 ? -59.433 26.284 -4.287 1.00 35.16 ? 105 GLU B C 1 ATOM 3273 O O . GLU B 2 105 ? -59.416 26.221 -5.512 1.00 35.28 ? 105 GLU B O 1 ATOM 3274 C CB . GLU B 2 105 ? -61.275 27.350 -2.980 1.00 35.12 ? 105 GLU B CB 1 ATOM 3275 C CG . GLU B 2 105 ? -62.041 28.212 -3.986 1.00 36.40 ? 105 GLU B CG 1 ATOM 3276 C CD . GLU B 2 105 ? -61.144 29.127 -4.821 1.00 38.94 ? 105 GLU B CD 1 ATOM 3277 O OE1 . GLU B 2 105 ? -60.074 29.569 -4.323 1.00 39.43 ? 105 GLU B OE1 1 ATOM 3278 O OE2 . GLU B 2 105 ? -61.523 29.410 -5.984 1.00 39.76 ? 105 GLU B OE2 1 ATOM 3279 N N . ARG B 2 106 ? -58.354 26.544 -3.557 1.00 35.64 ? 106 ARG B N 1 ATOM 3280 C CA . ARG B 2 106 ? -57.064 26.819 -4.166 1.00 36.28 ? 106 ARG B CA 1 ATOM 3281 C C . ARG B 2 106 ? -56.513 25.631 -4.961 1.00 36.09 ? 106 ARG B C 1 ATOM 3282 O O . ARG B 2 106 ? -56.109 25.801 -6.112 1.00 36.15 ? 106 ARG B O 1 ATOM 3283 C CB . ARG B 2 106 ? -56.047 27.308 -3.123 1.00 36.68 ? 106 ARG B CB 1 ATOM 3284 C CG . ARG B 2 106 ? -56.341 28.682 -2.482 1.00 39.19 ? 106 ARG B CG 1 ATOM 3285 C CD . ARG B 2 106 ? -56.835 29.761 -3.475 1.00 44.46 ? 106 ARG B CD 1 ATOM 3286 N NE . ARG B 2 106 ? -56.067 29.801 -4.727 1.00 48.67 ? 106 ARG B NE 1 ATOM 3287 C CZ . ARG B 2 106 ? -56.569 30.147 -5.917 1.00 50.51 ? 106 ARG B CZ 1 ATOM 3288 N NH1 . ARG B 2 106 ? -57.853 30.488 -6.044 1.00 50.31 ? 106 ARG B NH1 1 ATOM 3289 N NH2 . ARG B 2 106 ? -55.785 30.140 -6.991 1.00 51.37 ? 106 ARG B NH2 1 ATOM 3290 N N . THR B 2 107 ? -56.509 24.442 -4.353 1.00 35.97 ? 107 THR B N 1 ATOM 3291 C CA . THR B 2 107 ? -56.010 23.221 -5.011 1.00 35.94 ? 107 THR B CA 1 ATOM 3292 C C . THR B 2 107 ? -56.765 22.908 -6.308 1.00 36.04 ? 107 THR B C 1 ATOM 3293 O O . THR B 2 107 ? -56.167 22.522 -7.311 1.00 36.04 ? 107 THR B O 1 ATOM 3294 C CB . THR B 2 107 ? -56.074 21.978 -4.078 1.00 35.83 ? 107 THR B CB 1 ATOM 3295 O OG1 . THR B 2 107 ? -55.455 22.276 -2.824 1.00 35.79 ? 107 THR B OG1 1 ATOM 3296 C CG2 . THR B 2 107 ? -55.359 20.789 -4.698 1.00 35.23 ? 107 THR B CG2 1 ATOM 3297 N N . LEU B 2 108 ? -58.078 23.083 -6.282 1.00 36.12 ? 108 LEU B N 1 ATOM 3298 C CA . LEU B 2 108 ? -58.900 22.755 -7.430 1.00 36.24 ? 108 LEU B CA 1 ATOM 3299 C C . LEU B 2 108 ? -58.754 23.772 -8.563 1.00 36.74 ? 108 LEU B C 1 ATOM 3300 O O . LEU B 2 108 ? -58.849 23.412 -9.739 1.00 36.80 ? 108 LEU B O 1 ATOM 3301 C CB . LEU B 2 108 ? -60.353 22.564 -6.999 1.00 36.00 ? 108 LEU B CB 1 ATOM 3302 C CG . LEU B 2 108 ? -60.746 21.143 -6.562 1.00 35.48 ? 108 LEU B CG 1 ATOM 3303 C CD1 . LEU B 2 108 ? -59.721 20.481 -5.644 1.00 35.11 ? 108 LEU B CD1 1 ATOM 3304 C CD2 . LEU B 2 108 ? -62.124 21.140 -5.915 1.00 34.97 ? 108 LEU B CD2 1 ATOM 3305 N N . ASP B 2 109 ? -58.512 25.033 -8.200 1.00 37.21 ? 109 ASP B N 1 ATOM 3306 C CA . ASP B 2 109 ? -58.156 26.078 -9.160 1.00 37.77 ? 109 ASP B CA 1 ATOM 3307 C C . ASP B 2 109 ? -56.796 25.814 -9.787 1.00 37.76 ? 109 ASP B C 1 ATOM 3308 O O . ASP B 2 109 ? -56.596 26.054 -10.975 1.00 37.93 ? 109 ASP B O 1 ATOM 3309 C CB . ASP B 2 109 ? -58.115 27.440 -8.478 1.00 38.14 ? 109 ASP B CB 1 ATOM 3310 C CG . ASP B 2 109 ? -59.330 28.282 -8.787 1.00 39.68 ? 109 ASP B CG 1 ATOM 3311 O OD1 . ASP B 2 109 ? -60.432 27.956 -8.272 1.00 40.35 ? 109 ASP B OD1 1 ATOM 3312 O OD2 . ASP B 2 109 ? -59.169 29.277 -9.541 1.00 41.18 ? 109 ASP B OD2 1 ATOM 3313 N N . PHE B 2 110 ? -55.868 25.334 -8.965 1.00 37.78 ? 110 PHE B N 1 ATOM 3314 C CA . PHE B 2 110 ? -54.524 24.956 -9.389 1.00 37.78 ? 110 PHE B CA 1 ATOM 3315 C C . PHE B 2 110 ? -54.579 23.877 -10.473 1.00 38.10 ? 110 PHE B C 1 ATOM 3316 O O . PHE B 2 110 ? -53.843 23.932 -11.463 1.00 38.03 ? 110 PHE B O 1 ATOM 3317 C CB . PHE B 2 110 ? -53.737 24.476 -8.160 1.00 37.60 ? 110 PHE B CB 1 ATOM 3318 C CG . PHE B 2 110 ? -52.328 24.030 -8.448 1.00 36.84 ? 110 PHE B CG 1 ATOM 3319 C CD1 . PHE B 2 110 ? -51.372 24.929 -8.920 1.00 35.97 ? 110 PHE B CD1 1 ATOM 3320 C CD2 . PHE B 2 110 ? -51.945 22.715 -8.203 1.00 36.05 ? 110 PHE B CD2 1 ATOM 3321 C CE1 . PHE B 2 110 ? -50.062 24.515 -9.172 1.00 35.44 ? 110 PHE B CE1 1 ATOM 3322 C CE2 . PHE B 2 110 ? -50.636 22.295 -8.451 1.00 35.70 ? 110 PHE B CE2 1 ATOM 3323 C CZ . PHE B 2 110 ? -49.694 23.198 -8.936 1.00 35.00 ? 110 PHE B CZ 1 ATOM 3324 N N . HIS B 2 111 ? -55.474 22.911 -10.284 1.00 38.58 ? 111 HIS B N 1 ATOM 3325 C CA . HIS B 2 111 ? -55.645 21.813 -11.228 1.00 39.07 ? 111 HIS B CA 1 ATOM 3326 C C . HIS B 2 111 ? -56.215 22.284 -12.565 1.00 39.44 ? 111 HIS B C 1 ATOM 3327 O O . HIS B 2 111 ? -55.770 21.832 -13.617 1.00 39.36 ? 111 HIS B O 1 ATOM 3328 C CB . HIS B 2 111 ? -56.530 20.712 -10.630 1.00 39.13 ? 111 HIS B CB 1 ATOM 3329 C CG . HIS B 2 111 ? -55.828 19.824 -9.644 1.00 38.64 ? 111 HIS B CG 1 ATOM 3330 N ND1 . HIS B 2 111 ? -54.542 19.366 -9.831 1.00 38.38 ? 111 HIS B ND1 1 ATOM 3331 C CD2 . HIS B 2 111 ? -56.252 19.282 -8.478 1.00 38.04 ? 111 HIS B CD2 1 ATOM 3332 C CE1 . HIS B 2 111 ? -54.197 18.594 -8.816 1.00 38.14 ? 111 HIS B CE1 1 ATOM 3333 N NE2 . HIS B 2 111 ? -55.218 18.525 -7.982 1.00 38.15 ? 111 HIS B NE2 1 ATOM 3334 N N . ASP B 2 112 ? -57.196 23.184 -12.520 1.00 40.02 ? 112 ASP B N 1 ATOM 3335 C CA . ASP B 2 112 ? -57.744 23.786 -13.735 1.00 40.72 ? 112 ASP B CA 1 ATOM 3336 C C . ASP B 2 112 ? -56.648 24.496 -14.513 1.00 41.18 ? 112 ASP B C 1 ATOM 3337 O O . ASP B 2 112 ? -56.391 24.159 -15.671 1.00 41.27 ? 112 ASP B O 1 ATOM 3338 C CB . ASP B 2 112 ? -58.879 24.757 -13.412 1.00 40.70 ? 112 ASP B CB 1 ATOM 3339 C CG . ASP B 2 112 ? -60.148 24.048 -12.980 1.00 41.33 ? 112 ASP B CG 1 ATOM 3340 O OD1 . ASP B 2 112 ? -61.241 24.515 -13.358 1.00 42.08 ? 112 ASP B OD1 1 ATOM 3341 O OD2 . ASP B 2 112 ? -60.061 23.024 -12.266 1.00 41.85 ? 112 ASP B OD2 1 ATOM 3342 N N . SER B 2 113 ? -55.996 25.460 -13.860 1.00 41.75 ? 113 SER B N 1 ATOM 3343 C CA . SER B 2 113 ? -54.875 26.204 -14.441 1.00 42.26 ? 113 SER B CA 1 ATOM 3344 C C . SER B 2 113 ? -53.888 25.305 -15.171 1.00 42.63 ? 113 SER B C 1 ATOM 3345 O O . SER B 2 113 ? -53.606 25.528 -16.342 1.00 42.76 ? 113 SER B O 1 ATOM 3346 C CB . SER B 2 113 ? -54.139 27.003 -13.366 1.00 42.15 ? 113 SER B CB 1 ATOM 3347 O OG . SER B 2 113 ? -54.935 28.076 -12.913 1.00 42.37 ? 113 SER B OG 1 ATOM 3348 N N . ASN B 2 114 ? -53.383 24.288 -14.474 1.00 43.11 ? 114 ASN B N 1 ATOM 3349 C CA . ASN B 2 114 ? -52.402 23.356 -15.025 1.00 43.54 ? 114 ASN B CA 1 ATOM 3350 C C . ASN B 2 114 ? -52.872 22.608 -16.266 1.00 44.06 ? 114 ASN B C 1 ATOM 3351 O O . ASN B 2 114 ? -52.091 22.359 -17.191 1.00 43.97 ? 114 ASN B O 1 ATOM 3352 C CB . ASN B 2 114 ? -51.988 22.357 -13.953 1.00 43.41 ? 114 ASN B CB 1 ATOM 3353 C CG . ASN B 2 114 ? -51.035 22.947 -12.961 1.00 43.09 ? 114 ASN B CG 1 ATOM 3354 O OD1 . ASN B 2 114 ? -50.739 24.136 -13.005 1.00 43.33 ? 114 ASN B OD1 1 ATOM 3355 N ND2 . ASN B 2 114 ? -50.532 22.117 -12.062 1.00 43.24 ? 114 ASN B ND2 1 ATOM 3356 N N . VAL B 2 115 ? -54.151 22.248 -16.269 1.00 44.74 ? 115 VAL B N 1 ATOM 3357 C CA . VAL B 2 115 ? -54.762 21.581 -17.404 1.00 45.49 ? 115 VAL B CA 1 ATOM 3358 C C . VAL B 2 115 ? -54.858 22.532 -18.594 1.00 46.22 ? 115 VAL B C 1 ATOM 3359 O O . VAL B 2 115 ? -54.478 22.169 -19.703 1.00 46.32 ? 115 VAL B O 1 ATOM 3360 C CB . VAL B 2 115 ? -56.134 20.996 -17.030 1.00 45.35 ? 115 VAL B CB 1 ATOM 3361 C CG1 . VAL B 2 115 ? -56.919 20.615 -18.263 1.00 45.37 ? 115 VAL B CG1 1 ATOM 3362 C CG2 . VAL B 2 115 ? -55.948 19.788 -16.139 1.00 45.23 ? 115 VAL B CG2 1 ATOM 3363 N N . LYS B 2 116 ? -55.342 23.750 -18.357 1.00 47.21 ? 116 LYS B N 1 ATOM 3364 C CA . LYS B 2 116 ? -55.439 24.757 -19.412 1.00 48.19 ? 116 LYS B CA 1 ATOM 3365 C C . LYS B 2 116 ? -54.076 25.201 -19.935 1.00 48.84 ? 116 LYS B C 1 ATOM 3366 O O . LYS B 2 116 ? -53.901 25.354 -21.138 1.00 49.02 ? 116 LYS B O 1 ATOM 3367 C CB . LYS B 2 116 ? -56.279 25.955 -18.964 1.00 48.13 ? 116 LYS B CB 1 ATOM 3368 C CG . LYS B 2 116 ? -57.774 25.757 -19.206 1.00 48.81 ? 116 LYS B CG 1 ATOM 3369 C CD . LYS B 2 116 ? -58.601 26.973 -18.804 1.00 49.82 ? 116 LYS B CD 1 ATOM 3370 C CE . LYS B 2 116 ? -59.042 26.899 -17.346 1.00 50.35 ? 116 LYS B CE 1 ATOM 3371 N NZ . LYS B 2 116 ? -59.757 28.137 -16.931 1.00 50.57 ? 116 LYS B NZ 1 ATOM 3372 N N . ASN B 2 117 ? -53.114 25.390 -19.039 1.00 49.85 ? 117 ASN B N 1 ATOM 3373 C CA . ASN B 2 117 ? -51.775 25.842 -19.427 1.00 50.99 ? 117 ASN B CA 1 ATOM 3374 C C . ASN B 2 117 ? -51.035 24.790 -20.240 1.00 51.62 ? 117 ASN B C 1 ATOM 3375 O O . ASN B 2 117 ? -50.071 25.100 -20.939 1.00 51.80 ? 117 ASN B O 1 ATOM 3376 C CB . ASN B 2 117 ? -50.940 26.240 -18.201 1.00 51.12 ? 117 ASN B CB 1 ATOM 3377 C CG . ASN B 2 117 ? -51.494 27.468 -17.467 1.00 51.86 ? 117 ASN B CG 1 ATOM 3378 O OD1 . ASN B 2 117 ? -50.932 27.890 -16.455 1.00 52.76 ? 117 ASN B OD1 1 ATOM 3379 N ND2 . ASN B 2 117 ? -52.595 28.039 -17.967 1.00 51.94 ? 117 ASN B ND2 1 ATOM 3380 N N . LEU B 2 118 ? -51.494 23.547 -20.131 1.00 52.46 ? 118 LEU B N 1 ATOM 3381 C CA . LEU B 2 118 ? -50.991 22.451 -20.945 1.00 53.24 ? 118 LEU B CA 1 ATOM 3382 C C . LEU B 2 118 ? -51.620 22.535 -22.334 1.00 53.88 ? 118 LEU B C 1 ATOM 3383 O O . LEU B 2 118 ? -50.922 22.456 -23.342 1.00 54.02 ? 118 LEU B O 1 ATOM 3384 C CB . LEU B 2 118 ? -51.312 21.109 -20.276 1.00 53.13 ? 118 LEU B CB 1 ATOM 3385 C CG . LEU B 2 118 ? -50.538 19.848 -20.669 1.00 52.89 ? 118 LEU B CG 1 ATOM 3386 C CD1 . LEU B 2 118 ? -49.056 19.970 -20.345 1.00 52.60 ? 118 LEU B CD1 1 ATOM 3387 C CD2 . LEU B 2 118 ? -51.130 18.644 -19.961 1.00 52.43 ? 118 LEU B CD2 1 ATOM 3388 N N . TYR B 2 119 ? -52.939 22.718 -22.369 1.00 54.77 ? 119 TYR B N 1 ATOM 3389 C CA . TYR B 2 119 ? -53.691 22.931 -23.604 1.00 55.79 ? 119 TYR B CA 1 ATOM 3390 C C . TYR B 2 119 ? -53.154 24.132 -24.373 1.00 56.76 ? 119 TYR B C 1 ATOM 3391 O O . TYR B 2 119 ? -52.992 24.075 -25.592 1.00 57.02 ? 119 TYR B O 1 ATOM 3392 C CB . TYR B 2 119 ? -55.165 23.163 -23.276 1.00 55.54 ? 119 TYR B CB 1 ATOM 3393 C CG . TYR B 2 119 ? -56.064 23.385 -24.470 1.00 55.73 ? 119 TYR B CG 1 ATOM 3394 C CD1 . TYR B 2 119 ? -56.902 22.370 -24.924 1.00 56.36 ? 119 TYR B CD1 1 ATOM 3395 C CD2 . TYR B 2 119 ? -56.098 24.613 -25.137 1.00 55.80 ? 119 TYR B CD2 1 ATOM 3396 C CE1 . TYR B 2 119 ? -57.745 22.562 -26.025 1.00 56.21 ? 119 TYR B CE1 1 ATOM 3397 C CE2 . TYR B 2 119 ? -56.937 24.814 -26.240 1.00 56.03 ? 119 TYR B CE2 1 ATOM 3398 C CZ . TYR B 2 119 ? -57.759 23.780 -26.672 1.00 55.95 ? 119 TYR B CZ 1 ATOM 3399 O OH . TYR B 2 119 ? -58.593 23.949 -27.749 1.00 55.97 ? 119 TYR B OH 1 ATOM 3400 N N . ASP B 2 120 ? -52.886 25.216 -23.653 1.00 57.84 ? 120 ASP B N 1 ATOM 3401 C CA . ASP B 2 120 ? -52.462 26.460 -24.273 1.00 58.92 ? 120 ASP B CA 1 ATOM 3402 C C . ASP B 2 120 ? -51.038 26.393 -24.792 1.00 59.77 ? 120 ASP B C 1 ATOM 3403 O O . ASP B 2 120 ? -50.728 27.032 -25.793 1.00 59.92 ? 120 ASP B O 1 ATOM 3404 C CB . ASP B 2 120 ? -52.652 27.638 -23.319 1.00 58.88 ? 120 ASP B CB 1 ATOM 3405 C CG . ASP B 2 120 ? -54.120 27.949 -23.067 1.00 59.12 ? 120 ASP B CG 1 ATOM 3406 O OD1 . ASP B 2 120 ? -54.953 27.696 -23.966 1.00 59.41 ? 120 ASP B OD1 1 ATOM 3407 O OD2 . ASP B 2 120 ? -54.446 28.447 -21.969 1.00 59.14 ? 120 ASP B OD2 1 ATOM 3408 N N . LYS B 2 121 ? -50.181 25.616 -24.130 1.00 60.90 ? 121 LYS B N 1 ATOM 3409 C CA . LYS B 2 121 ? -48.808 25.420 -24.614 1.00 62.16 ? 121 LYS B CA 1 ATOM 3410 C C . LYS B 2 121 ? -48.791 24.660 -25.934 1.00 62.92 ? 121 LYS B C 1 ATOM 3411 O O . LYS B 2 121 ? -47.875 24.814 -26.744 1.00 63.01 ? 121 LYS B O 1 ATOM 3412 C CB . LYS B 2 121 ? -47.924 24.713 -23.582 1.00 62.07 ? 121 LYS B CB 1 ATOM 3413 C CG . LYS B 2 121 ? -47.250 25.665 -22.608 1.00 62.70 ? 121 LYS B CG 1 ATOM 3414 C CD . LYS B 2 121 ? -45.791 25.287 -22.369 1.00 63.94 ? 121 LYS B CD 1 ATOM 3415 C CE . LYS B 2 121 ? -45.081 26.299 -21.457 1.00 64.47 ? 121 LYS B CE 1 ATOM 3416 N NZ . LYS B 2 121 ? -45.326 26.046 -20.002 1.00 64.37 ? 121 LYS B NZ 1 ATOM 3417 N N . VAL B 2 122 ? -49.821 23.850 -26.144 1.00 63.93 ? 122 VAL B N 1 ATOM 3418 C CA . VAL B 2 122 ? -49.934 23.066 -27.361 1.00 64.99 ? 122 VAL B CA 1 ATOM 3419 C C . VAL B 2 122 ? -50.563 23.893 -28.492 1.00 65.76 ? 122 VAL B C 1 ATOM 3420 O O . VAL B 2 122 ? -50.030 23.914 -29.603 1.00 65.83 ? 122 VAL B O 1 ATOM 3421 C CB . VAL B 2 122 ? -50.668 21.720 -27.105 1.00 64.94 ? 122 VAL B CB 1 ATOM 3422 C CG1 . VAL B 2 122 ? -50.957 20.990 -28.407 1.00 65.01 ? 122 VAL B CG1 1 ATOM 3423 C CG2 . VAL B 2 122 ? -49.830 20.834 -26.180 1.00 64.83 ? 122 VAL B CG2 1 ATOM 3424 N N . ARG B 2 123 ? -51.665 24.591 -28.201 1.00 66.79 ? 123 ARG B N 1 ATOM 3425 C CA . ARG B 2 123 ? -52.348 25.428 -29.203 1.00 67.72 ? 123 ARG B CA 1 ATOM 3426 C C . ARG B 2 123 ? -51.393 26.408 -29.890 1.00 68.11 ? 123 ARG B C 1 ATOM 3427 O O . ARG B 2 123 ? -51.556 26.706 -31.075 1.00 68.19 ? 123 ARG B O 1 ATOM 3428 C CB . ARG B 2 123 ? -53.533 26.196 -28.597 1.00 67.80 ? 123 ARG B CB 1 ATOM 3429 C CG . ARG B 2 123 ? -53.195 27.612 -28.111 1.00 69.16 ? 123 ARG B CG 1 ATOM 3430 C CD . ARG B 2 123 ? -54.174 28.654 -28.655 1.00 71.33 ? 123 ARG B CD 1 ATOM 3431 N NE . ARG B 2 123 ? -55.408 28.713 -27.870 1.00 72.82 ? 123 ARG B NE 1 ATOM 3432 C CZ . ARG B 2 123 ? -55.695 29.665 -26.983 1.00 73.18 ? 123 ARG B CZ 1 ATOM 3433 N NH1 . ARG B 2 123 ? -54.843 30.663 -26.768 1.00 73.40 ? 123 ARG B NH1 1 ATOM 3434 N NH2 . ARG B 2 123 ? -56.843 29.622 -26.317 1.00 73.01 ? 123 ARG B NH2 1 ATOM 3435 N N . LEU B 2 124 ? -50.408 26.902 -29.137 1.00 68.64 ? 124 LEU B N 1 ATOM 3436 C CA . LEU B 2 124 ? -49.419 27.845 -29.653 1.00 69.19 ? 124 LEU B CA 1 ATOM 3437 C C . LEU B 2 124 ? -48.611 27.241 -30.794 1.00 69.51 ? 124 LEU B C 1 ATOM 3438 O O . LEU B 2 124 ? -48.544 27.822 -31.880 1.00 69.64 ? 124 LEU B O 1 ATOM 3439 C CB . LEU B 2 124 ? -48.489 28.331 -28.532 1.00 69.25 ? 124 LEU B CB 1 ATOM 3440 C CG . LEU B 2 124 ? -48.752 29.695 -27.872 1.00 69.62 ? 124 LEU B CG 1 ATOM 3441 C CD1 . LEU B 2 124 ? -50.199 29.872 -27.363 1.00 70.02 ? 124 LEU B CD1 1 ATOM 3442 C CD2 . LEU B 2 124 ? -47.747 29.944 -26.746 1.00 69.52 ? 124 LEU B CD2 1 ATOM 3443 N N . GLN B 2 125 ? -48.021 26.071 -30.544 1.00 69.85 ? 125 GLN B N 1 ATOM 3444 C CA . GLN B 2 125 ? -47.229 25.350 -31.544 1.00 70.09 ? 125 GLN B CA 1 ATOM 3445 C C . GLN B 2 125 ? -48.017 25.082 -32.832 1.00 70.35 ? 125 GLN B C 1 ATOM 3446 O O . GLN B 2 125 ? -47.521 25.329 -33.933 1.00 70.31 ? 125 GLN B O 1 ATOM 3447 C CB . GLN B 2 125 ? -46.698 24.035 -30.961 1.00 69.95 ? 125 GLN B CB 1 ATOM 3448 C CG . GLN B 2 125 ? -45.581 24.201 -29.936 1.00 70.12 ? 125 GLN B CG 1 ATOM 3449 C CD . GLN B 2 125 ? -45.198 22.890 -29.254 1.00 70.34 ? 125 GLN B CD 1 ATOM 3450 O OE1 . GLN B 2 125 ? -46.045 22.201 -28.684 1.00 70.36 ? 125 GLN B OE1 1 ATOM 3451 N NE2 . GLN B 2 125 ? -43.912 22.550 -29.299 1.00 70.17 ? 125 GLN B NE2 1 ATOM 3452 N N . LEU B 2 126 ? -49.251 24.608 -32.681 1.00 70.73 ? 126 LEU B N 1 ATOM 3453 C CA . LEU B 2 126 ? -50.057 24.129 -33.807 1.00 71.19 ? 126 LEU B CA 1 ATOM 3454 C C . LEU B 2 126 ? -50.571 25.216 -34.752 1.00 71.60 ? 126 LEU B C 1 ATOM 3455 O O . LEU B 2 126 ? -50.794 24.952 -35.936 1.00 71.66 ? 126 LEU B O 1 ATOM 3456 C CB . LEU B 2 126 ? -51.219 23.264 -33.302 1.00 71.12 ? 126 LEU B CB 1 ATOM 3457 C CG . LEU B 2 126 ? -50.998 21.752 -33.142 1.00 70.89 ? 126 LEU B CG 1 ATOM 3458 C CD1 . LEU B 2 126 ? -49.784 21.402 -32.279 1.00 70.72 ? 126 LEU B CD1 1 ATOM 3459 C CD2 . LEU B 2 126 ? -52.246 21.103 -32.573 1.00 70.65 ? 126 LEU B CD2 1 ATOM 3460 N N . ARG B 2 127 ? -50.754 26.429 -34.231 1.00 72.09 ? 127 ARG B N 1 ATOM 3461 C CA . ARG B 2 127 ? -51.233 27.573 -35.022 1.00 72.61 ? 127 ARG B CA 1 ATOM 3462 C C . ARG B 2 127 ? -52.530 27.255 -35.781 1.00 72.75 ? 127 ARG B C 1 ATOM 3463 O O . ARG B 2 127 ? -53.491 26.747 -35.195 1.00 72.69 ? 127 ARG B O 1 ATOM 3464 C CB . ARG B 2 127 ? -50.144 28.085 -35.985 1.00 72.74 ? 127 ARG B CB 1 ATOM 3465 C CG . ARG B 2 127 ? -48.746 28.197 -35.385 1.00 73.45 ? 127 ARG B CG 1 ATOM 3466 C CD . ARG B 2 127 ? -48.477 29.555 -34.743 1.00 74.93 ? 127 ARG B CD 1 ATOM 3467 N NE . ARG B 2 127 ? -47.170 29.576 -34.079 1.00 76.33 ? 127 ARG B NE 1 ATOM 3468 C CZ . ARG B 2 127 ? -46.007 29.836 -34.683 1.00 77.09 ? 127 ARG B CZ 1 ATOM 3469 N NH1 . ARG B 2 127 ? -45.963 30.117 -35.983 1.00 77.34 ? 127 ARG B NH1 1 ATOM 3470 N NH2 . ARG B 2 127 ? -44.879 29.819 -33.981 1.00 76.96 ? 127 ARG B NH2 1 ATOM 3471 N N . ASP B 2 128 ? -52.540 27.533 -37.086 1.00 73.03 ? 128 ASP B N 1 ATOM 3472 C CA . ASP B 2 128 ? -53.752 27.417 -37.914 1.00 73.24 ? 128 ASP B CA 1 ATOM 3473 C C . ASP B 2 128 ? -53.985 26.031 -38.538 1.00 73.18 ? 128 ASP B C 1 ATOM 3474 O O . ASP B 2 128 ? -55.128 25.678 -38.846 1.00 73.14 ? 128 ASP B O 1 ATOM 3475 C CB . ASP B 2 128 ? -53.777 28.507 -39.008 1.00 73.36 ? 128 ASP B CB 1 ATOM 3476 C CG . ASP B 2 128 ? -52.647 28.353 -40.038 1.00 73.73 ? 128 ASP B CG 1 ATOM 3477 O OD1 . ASP B 2 128 ? -51.473 28.148 -39.636 1.00 73.74 ? 128 ASP B OD1 1 ATOM 3478 O OD2 . ASP B 2 128 ? -52.939 28.449 -41.253 1.00 73.57 ? 128 ASP B OD2 1 ATOM 3479 N N . ASN B 2 129 ? -52.911 25.257 -38.722 1.00 73.07 ? 129 ASN B N 1 ATOM 3480 C CA . ASN B 2 129 ? -52.996 23.956 -39.403 1.00 72.85 ? 129 ASN B CA 1 ATOM 3481 C C . ASN B 2 129 ? -53.747 22.857 -38.623 1.00 72.82 ? 129 ASN B C 1 ATOM 3482 O O . ASN B 2 129 ? -53.893 21.726 -39.104 1.00 73.00 ? 129 ASN B O 1 ATOM 3483 C CB . ASN B 2 129 ? -51.611 23.490 -39.913 1.00 72.74 ? 129 ASN B CB 1 ATOM 3484 C CG . ASN B 2 129 ? -50.666 23.019 -38.799 1.00 72.55 ? 129 ASN B CG 1 ATOM 3485 O OD1 . ASN B 2 129 ? -49.484 22.791 -39.050 1.00 72.32 ? 129 ASN B OD1 1 ATOM 3486 N ND2 . ASN B 2 129 ? -51.180 22.857 -37.585 1.00 72.28 ? 129 ASN B ND2 1 ATOM 3487 N N . ALA B 2 130 ? -54.222 23.202 -37.427 1.00 72.51 ? 130 ALA B N 1 ATOM 3488 C CA . ALA B 2 130 ? -55.039 22.307 -36.620 1.00 72.17 ? 130 ALA B CA 1 ATOM 3489 C C . ALA B 2 130 ? -56.334 23.001 -36.218 1.00 71.99 ? 130 ALA B C 1 ATOM 3490 O O . ALA B 2 130 ? -56.384 24.226 -36.106 1.00 71.97 ? 130 ALA B O 1 ATOM 3491 C CB . ALA B 2 130 ? -54.276 21.854 -35.403 1.00 72.20 ? 130 ALA B CB 1 ATOM 3492 N N . LYS B 2 131 ? -57.371 22.202 -35.991 1.00 71.78 ? 131 LYS B N 1 ATOM 3493 C CA . LYS B 2 131 ? -58.731 22.695 -35.792 1.00 71.64 ? 131 LYS B CA 1 ATOM 3494 C C . LYS B 2 131 ? -59.153 22.542 -34.326 1.00 71.22 ? 131 LYS B C 1 ATOM 3495 O O . LYS B 2 131 ? -59.276 21.424 -33.823 1.00 71.23 ? 131 LYS B O 1 ATOM 3496 C CB . LYS B 2 131 ? -59.667 21.923 -36.735 1.00 71.83 ? 131 LYS B CB 1 ATOM 3497 C CG . LYS B 2 131 ? -61.124 22.371 -36.816 1.00 72.59 ? 131 LYS B CG 1 ATOM 3498 C CD . LYS B 2 131 ? -61.795 21.675 -38.013 1.00 74.24 ? 131 LYS B CD 1 ATOM 3499 C CE . LYS B 2 131 ? -63.241 21.263 -37.734 1.00 74.75 ? 131 LYS B CE 1 ATOM 3500 N NZ . LYS B 2 131 ? -64.206 22.386 -37.906 1.00 75.55 ? 131 LYS B NZ 1 ATOM 3501 N N . GLU B 2 132 ? -59.360 23.669 -33.644 1.00 70.69 ? 132 GLU B N 1 ATOM 3502 C CA . GLU B 2 132 ? -59.780 23.664 -32.239 1.00 70.16 ? 132 GLU B CA 1 ATOM 3503 C C . GLU B 2 132 ? -61.225 23.197 -32.098 1.00 69.74 ? 132 GLU B C 1 ATOM 3504 O O . GLU B 2 132 ? -62.153 23.995 -32.224 1.00 69.72 ? 132 GLU B O 1 ATOM 3505 C CB . GLU B 2 132 ? -59.618 25.055 -31.605 1.00 70.26 ? 132 GLU B CB 1 ATOM 3506 C CG . GLU B 2 132 ? -58.184 25.434 -31.224 1.00 70.27 ? 132 GLU B CG 1 ATOM 3507 C CD . GLU B 2 132 ? -58.109 26.488 -30.119 1.00 70.03 ? 132 GLU B CD 1 ATOM 3508 O OE1 . GLU B 2 132 ? -57.073 27.184 -30.030 1.00 69.93 ? 132 GLU B OE1 1 ATOM 3509 O OE2 . GLU B 2 132 ? -59.076 26.616 -29.336 1.00 69.59 ? 132 GLU B OE2 1 ATOM 3510 N N . LEU B 2 133 ? -61.410 21.906 -31.834 1.00 69.29 ? 133 LEU B N 1 ATOM 3511 C CA . LEU B 2 133 ? -62.750 21.321 -31.687 1.00 68.90 ? 133 LEU B CA 1 ATOM 3512 C C . LEU B 2 133 ? -63.535 21.884 -30.501 1.00 68.66 ? 133 LEU B C 1 ATOM 3513 O O . LEU B 2 133 ? -64.762 21.764 -30.450 1.00 68.59 ? 133 LEU B O 1 ATOM 3514 C CB . LEU B 2 133 ? -62.677 19.793 -31.583 1.00 68.90 ? 133 LEU B CB 1 ATOM 3515 C CG . LEU B 2 133 ? -62.868 18.962 -32.856 1.00 68.81 ? 133 LEU B CG 1 ATOM 3516 C CD1 . LEU B 2 133 ? -61.740 19.203 -33.846 1.00 68.71 ? 133 LEU B CD1 1 ATOM 3517 C CD2 . LEU B 2 133 ? -62.984 17.476 -32.522 1.00 68.65 ? 133 LEU B CD2 1 ATOM 3518 N N . GLY B 2 134 ? -62.820 22.487 -29.551 1.00 68.34 ? 134 GLY B N 1 ATOM 3519 C CA . GLY B 2 134 ? -63.439 23.110 -28.383 1.00 67.73 ? 134 GLY B CA 1 ATOM 3520 C C . GLY B 2 134 ? -63.857 22.133 -27.300 1.00 67.27 ? 134 GLY B C 1 ATOM 3521 O O . GLY B 2 134 ? -64.732 22.438 -26.493 1.00 67.25 ? 134 GLY B O 1 ATOM 3522 N N . ASN B 2 135 ? -63.236 20.956 -27.286 1.00 66.76 ? 135 ASN B N 1 ATOM 3523 C CA . ASN B 2 135 ? -63.492 19.956 -26.253 1.00 66.26 ? 135 ASN B CA 1 ATOM 3524 C C . ASN B 2 135 ? -62.196 19.541 -25.548 1.00 65.90 ? 135 ASN B C 1 ATOM 3525 O O . ASN B 2 135 ? -62.187 18.639 -24.701 1.00 65.91 ? 135 ASN B O 1 ATOM 3526 C CB . ASN B 2 135 ? -64.225 18.739 -26.841 1.00 66.22 ? 135 ASN B CB 1 ATOM 3527 C CG . ASN B 2 135 ? -63.368 17.941 -27.826 1.00 66.21 ? 135 ASN B CG 1 ATOM 3528 O OD1 . ASN B 2 135 ? -62.399 18.451 -28.397 1.00 66.09 ? 135 ASN B OD1 1 ATOM 3529 N ND2 . ASN B 2 135 ? -63.734 16.680 -28.029 1.00 65.79 ? 135 ASN B ND2 1 ATOM 3530 N N . GLY B 2 136 ? -61.110 20.221 -25.900 1.00 65.37 ? 136 GLY B N 1 ATOM 3531 C CA . GLY B 2 136 ? -59.789 19.881 -25.401 1.00 64.87 ? 136 GLY B CA 1 ATOM 3532 C C . GLY B 2 136 ? -58.955 19.154 -26.439 1.00 64.58 ? 136 GLY B C 1 ATOM 3533 O O . GLY B 2 136 ? -57.826 18.751 -26.159 1.00 64.54 ? 136 GLY B O 1 ATOM 3534 N N . CYS B 2 137 ? -59.509 18.990 -27.640 1.00 64.34 ? 137 CYS B N 1 ATOM 3535 C CA . CYS B 2 137 ? -58.811 18.302 -28.728 1.00 63.95 ? 137 CYS B CA 1 ATOM 3536 C C . CYS B 2 137 ? -58.562 19.189 -29.936 1.00 64.46 ? 137 CYS B C 1 ATOM 3537 O O . CYS B 2 137 ? -59.289 20.153 -30.185 1.00 64.34 ? 137 CYS B O 1 ATOM 3538 C CB . CYS B 2 137 ? -59.587 17.064 -29.169 1.00 63.37 ? 137 CYS B CB 1 ATOM 3539 S SG . CYS B 2 137 ? -60.099 16.027 -27.805 1.00 61.12 ? 137 CYS B SG 1 ATOM 3540 N N . PHE B 2 138 ? -57.518 18.846 -30.679 1.00 65.17 ? 138 PHE B N 1 ATOM 3541 C CA . PHE B 2 138 ? -57.256 19.440 -31.979 1.00 65.99 ? 138 PHE B CA 1 ATOM 3542 C C . PHE B 2 138 ? -57.363 18.346 -33.043 1.00 66.40 ? 138 PHE B C 1 ATOM 3543 O O . PHE B 2 138 ? -56.892 17.227 -32.829 1.00 66.39 ? 138 PHE B O 1 ATOM 3544 C CB . PHE B 2 138 ? -55.861 20.073 -32.015 1.00 66.05 ? 138 PHE B CB 1 ATOM 3545 C CG . PHE B 2 138 ? -55.581 21.026 -30.874 1.00 66.74 ? 138 PHE B CG 1 ATOM 3546 C CD1 . PHE B 2 138 ? -56.143 22.302 -30.850 1.00 67.13 ? 138 PHE B CD1 1 ATOM 3547 C CD2 . PHE B 2 138 ? -54.728 20.655 -29.835 1.00 67.04 ? 138 PHE B CD2 1 ATOM 3548 C CE1 . PHE B 2 138 ? -55.872 23.185 -29.797 1.00 67.19 ? 138 PHE B CE1 1 ATOM 3549 C CE2 . PHE B 2 138 ? -54.451 21.534 -28.783 1.00 66.87 ? 138 PHE B CE2 1 ATOM 3550 C CZ . PHE B 2 138 ? -55.022 22.797 -28.765 1.00 67.01 ? 138 PHE B CZ 1 ATOM 3551 N N . GLU B 2 139 ? -57.997 18.664 -34.172 1.00 66.98 ? 139 GLU B N 1 ATOM 3552 C CA . GLU B 2 139 ? -58.067 17.738 -35.308 1.00 67.51 ? 139 GLU B CA 1 ATOM 3553 C C . GLU B 2 139 ? -57.256 18.261 -36.487 1.00 67.81 ? 139 GLU B C 1 ATOM 3554 O O . GLU B 2 139 ? -57.684 19.182 -37.186 1.00 67.88 ? 139 GLU B O 1 ATOM 3555 C CB . GLU B 2 139 ? -59.518 17.467 -35.725 1.00 67.52 ? 139 GLU B CB 1 ATOM 3556 C CG . GLU B 2 139 ? -59.672 16.376 -36.786 1.00 67.85 ? 139 GLU B CG 1 ATOM 3557 C CD . GLU B 2 139 ? -61.100 15.847 -36.921 1.00 68.30 ? 139 GLU B CD 1 ATOM 3558 O OE1 . GLU B 2 139 ? -62.050 16.488 -36.416 1.00 67.70 ? 139 GLU B OE1 1 ATOM 3559 O OE2 . GLU B 2 139 ? -61.270 14.775 -37.546 1.00 68.86 ? 139 GLU B OE2 1 ATOM 3560 N N . PHE B 2 140 ? -56.084 17.660 -36.687 1.00 68.34 ? 140 PHE B N 1 ATOM 3561 C CA . PHE B 2 140 ? -55.172 18.009 -37.777 1.00 68.92 ? 140 PHE B CA 1 ATOM 3562 C C . PHE B 2 140 ? -55.853 17.945 -39.153 1.00 69.39 ? 140 PHE B C 1 ATOM 3563 O O . PHE B 2 140 ? -56.522 16.956 -39.483 1.00 69.44 ? 140 PHE B O 1 ATOM 3564 C CB . PHE B 2 140 ? -53.967 17.057 -37.790 1.00 68.88 ? 140 PHE B CB 1 ATOM 3565 C CG . PHE B 2 140 ? -53.100 17.121 -36.557 1.00 68.83 ? 140 PHE B CG 1 ATOM 3566 C CD1 . PHE B 2 140 ? -52.038 18.022 -36.480 1.00 68.77 ? 140 PHE B CD1 1 ATOM 3567 C CD2 . PHE B 2 140 ? -53.311 16.250 -35.493 1.00 68.81 ? 140 PHE B CD2 1 ATOM 3568 C CE1 . PHE B 2 140 ? -51.218 18.077 -35.348 1.00 68.18 ? 140 PHE B CE1 1 ATOM 3569 C CE2 . PHE B 2 140 ? -52.497 16.297 -34.357 1.00 68.78 ? 140 PHE B CE2 1 ATOM 3570 C CZ . PHE B 2 140 ? -51.448 17.212 -34.288 1.00 68.30 ? 140 PHE B CZ 1 ATOM 3571 N N . TYR B 2 141 ? -55.679 19.006 -39.944 1.00 69.90 ? 141 TYR B N 1 ATOM 3572 C CA . TYR B 2 141 ? -56.072 19.007 -41.356 1.00 70.34 ? 141 TYR B CA 1 ATOM 3573 C C . TYR B 2 141 ? -55.199 18.025 -42.139 1.00 70.44 ? 141 TYR B C 1 ATOM 3574 O O . TYR B 2 141 ? -55.688 17.297 -43.007 1.00 70.33 ? 141 TYR B O 1 ATOM 3575 C CB . TYR B 2 141 ? -55.930 20.407 -41.969 1.00 70.49 ? 141 TYR B CB 1 ATOM 3576 C CG . TYR B 2 141 ? -56.820 21.480 -41.376 1.00 71.12 ? 141 TYR B CG 1 ATOM 3577 C CD1 . TYR B 2 141 ? -58.208 21.305 -41.293 1.00 71.73 ? 141 TYR B CD1 1 ATOM 3578 C CD2 . TYR B 2 141 ? -56.278 22.690 -40.930 1.00 71.43 ? 141 TYR B CD2 1 ATOM 3579 C CE1 . TYR B 2 141 ? -59.030 22.303 -40.755 1.00 72.08 ? 141 TYR B CE1 1 ATOM 3580 C CE2 . TYR B 2 141 ? -57.087 23.692 -40.393 1.00 71.76 ? 141 TYR B CE2 1 ATOM 3581 C CZ . TYR B 2 141 ? -58.459 23.492 -40.310 1.00 72.24 ? 141 TYR B CZ 1 ATOM 3582 O OH . TYR B 2 141 ? -59.258 24.476 -39.782 1.00 72.50 ? 141 TYR B OH 1 ATOM 3583 N N . HIS B 2 142 ? -53.904 18.017 -41.823 1.00 70.63 ? 142 HIS B N 1 ATOM 3584 C CA . HIS B 2 142 ? -52.962 17.070 -42.408 1.00 70.83 ? 142 HIS B CA 1 ATOM 3585 C C . HIS B 2 142 ? -52.878 15.767 -41.591 1.00 71.04 ? 142 HIS B C 1 ATOM 3586 O O . HIS B 2 142 ? -53.763 15.477 -40.780 1.00 71.11 ? 142 HIS B O 1 ATOM 3587 C CB . HIS B 2 142 ? -51.588 17.723 -42.582 1.00 70.75 ? 142 HIS B CB 1 ATOM 3588 C CG . HIS B 2 142 ? -50.889 18.033 -41.296 1.00 70.75 ? 142 HIS B CG 1 ATOM 3589 N ND1 . HIS B 2 142 ? -51.123 19.186 -40.580 1.00 70.71 ? 142 HIS B ND1 1 ATOM 3590 C CD2 . HIS B 2 142 ? -49.947 17.345 -40.607 1.00 70.72 ? 142 HIS B CD2 1 ATOM 3591 C CE1 . HIS B 2 142 ? -50.359 19.194 -39.502 1.00 70.98 ? 142 HIS B CE1 1 ATOM 3592 N NE2 . HIS B 2 142 ? -49.635 18.089 -39.496 1.00 70.85 ? 142 HIS B NE2 1 ATOM 3593 N N . LYS B 2 143 ? -51.825 14.983 -41.816 1.00 71.20 ? 143 LYS B N 1 ATOM 3594 C CA . LYS B 2 143 ? -51.674 13.693 -41.148 1.00 71.31 ? 143 LYS B CA 1 ATOM 3595 C C . LYS B 2 143 ? -50.457 13.651 -40.228 1.00 71.32 ? 143 LYS B C 1 ATOM 3596 O O . LYS B 2 143 ? -49.380 14.151 -40.575 1.00 71.14 ? 143 LYS B O 1 ATOM 3597 C CB . LYS B 2 143 ? -51.650 12.547 -42.171 1.00 71.35 ? 143 LYS B CB 1 ATOM 3598 C CG . LYS B 2 143 ? -53.031 12.210 -42.732 1.00 71.63 ? 143 LYS B CG 1 ATOM 3599 C CD . LYS B 2 143 ? -52.968 11.247 -43.911 1.00 72.43 ? 143 LYS B CD 1 ATOM 3600 C CE . LYS B 2 143 ? -54.351 11.066 -44.555 1.00 72.62 ? 143 LYS B CE 1 ATOM 3601 N NZ . LYS B 2 143 ? -54.312 10.352 -45.870 1.00 72.00 ? 143 LYS B NZ 1 ATOM 3602 N N . CYS B 2 144 ? -50.655 13.059 -39.050 1.00 71.40 ? 144 CYS B N 1 ATOM 3603 C CA . CYS B 2 144 ? -49.612 12.944 -38.031 1.00 71.54 ? 144 CYS B CA 1 ATOM 3604 C C . CYS B 2 144 ? -49.255 11.515 -37.714 1.00 71.50 ? 144 CYS B C 1 ATOM 3605 O O . CYS B 2 144 ? -50.072 10.776 -37.171 1.00 71.56 ? 144 CYS B O 1 ATOM 3606 C CB . CYS B 2 144 ? -50.037 13.629 -36.731 1.00 71.54 ? 144 CYS B CB 1 ATOM 3607 S SG . CYS B 2 144 ? -49.360 15.268 -36.543 1.00 71.91 ? 144 CYS B SG 1 ATOM 3608 N N . ASP B 2 145 ? -48.024 11.134 -38.037 1.00 71.55 ? 145 ASP B N 1 ATOM 3609 C CA . ASP B 2 145 ? -47.477 9.865 -37.572 1.00 71.53 ? 145 ASP B CA 1 ATOM 3610 C C . ASP B 2 145 ? -47.164 9.972 -36.073 1.00 71.39 ? 145 ASP B C 1 ATOM 3611 O O . ASP B 2 145 ? -47.397 11.014 -35.454 1.00 71.22 ? 145 ASP B O 1 ATOM 3612 C CB . ASP B 2 145 ? -46.241 9.457 -38.395 1.00 71.58 ? 145 ASP B CB 1 ATOM 3613 C CG . ASP B 2 145 ? -45.053 10.412 -38.219 1.00 72.00 ? 145 ASP B CG 1 ATOM 3614 O OD1 . ASP B 2 145 ? -43.906 9.967 -38.448 1.00 72.27 ? 145 ASP B OD1 1 ATOM 3615 O OD2 . ASP B 2 145 ? -45.251 11.596 -37.861 1.00 72.38 ? 145 ASP B OD2 1 ATOM 3616 N N . ASN B 2 146 ? -46.648 8.896 -35.490 1.00 71.29 ? 146 ASN B N 1 ATOM 3617 C CA . ASN B 2 146 ? -46.291 8.909 -34.081 1.00 71.17 ? 146 ASN B CA 1 ATOM 3618 C C . ASN B 2 146 ? -45.083 9.784 -33.788 1.00 71.45 ? 146 ASN B C 1 ATOM 3619 O O . ASN B 2 146 ? -44.948 10.293 -32.680 1.00 71.54 ? 146 ASN B O 1 ATOM 3620 C CB . ASN B 2 146 ? -46.084 7.490 -33.556 1.00 70.91 ? 146 ASN B CB 1 ATOM 3621 C CG . ASN B 2 146 ? -47.382 6.720 -33.445 1.00 70.12 ? 146 ASN B CG 1 ATOM 3622 O OD1 . ASN B 2 146 ? -48.465 7.262 -33.659 1.00 69.13 ? 146 ASN B OD1 1 ATOM 3623 N ND2 . ASN B 2 146 ? -47.280 5.447 -33.109 1.00 69.59 ? 146 ASN B ND2 1 ATOM 3624 N N . GLU B 2 147 ? -44.218 9.976 -34.780 1.00 71.79 ? 147 GLU B N 1 ATOM 3625 C CA . GLU B 2 147 ? -43.100 10.910 -34.632 1.00 72.14 ? 147 GLU B CA 1 ATOM 3626 C C . GLU B 2 147 ? -43.599 12.352 -34.497 1.00 72.10 ? 147 GLU B C 1 ATOM 3627 O O . GLU B 2 147 ? -43.054 13.121 -33.696 1.00 72.10 ? 147 GLU B O 1 ATOM 3628 C CB . GLU B 2 147 ? -42.074 10.773 -35.766 1.00 72.31 ? 147 GLU B CB 1 ATOM 3629 C CG . GLU B 2 147 ? -41.035 9.672 -35.537 1.00 72.95 ? 147 GLU B CG 1 ATOM 3630 C CD . GLU B 2 147 ? -39.631 10.079 -35.981 1.00 73.88 ? 147 GLU B CD 1 ATOM 3631 O OE1 . GLU B 2 147 ? -39.124 9.511 -36.974 1.00 74.31 ? 147 GLU B OE1 1 ATOM 3632 O OE2 . GLU B 2 147 ? -39.031 10.968 -35.337 1.00 73.88 ? 147 GLU B OE2 1 ATOM 3633 N N . CYS B 2 148 ? -44.633 12.710 -35.265 1.00 72.03 ? 148 CYS B N 1 ATOM 3634 C CA . CYS B 2 148 ? -45.316 13.995 -35.072 1.00 72.01 ? 148 CYS B CA 1 ATOM 3635 C C . CYS B 2 148 ? -45.824 14.101 -33.632 1.00 72.00 ? 148 CYS B C 1 ATOM 3636 O O . CYS B 2 148 ? -45.445 15.016 -32.900 1.00 72.10 ? 148 CYS B O 1 ATOM 3637 C CB . CYS B 2 148 ? -46.497 14.187 -36.038 1.00 71.96 ? 148 CYS B CB 1 ATOM 3638 S SG . CYS B 2 148 ? -47.860 15.059 -35.201 1.00 71.99 ? 148 CYS B SG 1 ATOM 3639 N N . MET B 2 149 ? -46.675 13.151 -33.242 1.00 71.84 ? 149 MET B N 1 ATOM 3640 C CA . MET B 2 149 ? -47.347 13.171 -31.950 1.00 71.63 ? 149 MET B CA 1 ATOM 3641 C C . MET B 2 149 ? -46.361 13.294 -30.801 1.00 71.96 ? 149 MET B C 1 ATOM 3642 O O . MET B 2 149 ? -46.532 14.149 -29.938 1.00 71.91 ? 149 MET B O 1 ATOM 3643 C CB . MET B 2 149 ? -48.214 11.926 -31.772 1.00 71.38 ? 149 MET B CB 1 ATOM 3644 C CG . MET B 2 149 ? -49.385 11.830 -32.737 1.00 70.57 ? 149 MET B CG 1 ATOM 3645 S SD . MET B 2 149 ? -50.653 13.079 -32.462 1.00 68.48 ? 149 MET B SD 1 ATOM 3646 C CE . MET B 2 149 ? -51.966 12.480 -33.522 1.00 68.43 ? 149 MET B CE 1 ATOM 3647 N N . GLU B 2 150 ? -45.320 12.462 -30.810 1.00 72.46 ? 150 GLU B N 1 ATOM 3648 C CA . GLU B 2 150 ? -44.324 12.453 -29.731 1.00 73.07 ? 150 GLU B CA 1 ATOM 3649 C C . GLU B 2 150 ? -43.528 13.756 -29.653 1.00 73.45 ? 150 GLU B C 1 ATOM 3650 O O . GLU B 2 150 ? -42.938 14.062 -28.612 1.00 73.51 ? 150 GLU B O 1 ATOM 3651 C CB . GLU B 2 150 ? -43.366 11.249 -29.836 1.00 73.01 ? 150 GLU B CB 1 ATOM 3652 C CG . GLU B 2 150 ? -44.022 9.849 -29.878 1.00 73.45 ? 150 GLU B CG 1 ATOM 3653 C CD . GLU B 2 150 ? -45.003 9.562 -28.733 1.00 73.67 ? 150 GLU B CD 1 ATOM 3654 O OE1 . GLU B 2 150 ? -44.679 9.874 -27.562 1.00 73.44 ? 150 GLU B OE1 1 ATOM 3655 O OE2 . GLU B 2 150 ? -46.093 9.001 -29.013 1.00 73.15 ? 150 GLU B OE2 1 ATOM 3656 N N . SER B 2 151 ? -43.518 14.519 -30.747 1.00 73.96 ? 151 SER B N 1 ATOM 3657 C CA . SER B 2 151 ? -42.838 15.816 -30.783 1.00 74.39 ? 151 SER B CA 1 ATOM 3658 C C . SER B 2 151 ? -43.675 16.904 -30.107 1.00 74.71 ? 151 SER B C 1 ATOM 3659 O O . SER B 2 151 ? -43.129 17.775 -29.431 1.00 74.80 ? 151 SER B O 1 ATOM 3660 C CB . SER B 2 151 ? -42.479 16.215 -32.219 1.00 74.37 ? 151 SER B CB 1 ATOM 3661 O OG . SER B 2 151 ? -43.618 16.657 -32.939 1.00 74.32 ? 151 SER B OG 1 ATOM 3662 N N . VAL B 2 152 ? -44.994 16.838 -30.288 1.00 75.12 ? 152 VAL B N 1 ATOM 3663 C CA . VAL B 2 152 ? -45.934 17.786 -29.674 1.00 75.56 ? 152 VAL B CA 1 ATOM 3664 C C . VAL B 2 152 ? -45.928 17.680 -28.142 1.00 76.10 ? 152 VAL B C 1 ATOM 3665 O O . VAL B 2 152 ? -46.039 18.685 -27.440 1.00 76.05 ? 152 VAL B O 1 ATOM 3666 C CB . VAL B 2 152 ? -47.382 17.580 -30.210 1.00 75.40 ? 152 VAL B CB 1 ATOM 3667 C CG1 . VAL B 2 152 ? -48.317 18.662 -29.699 1.00 75.19 ? 152 VAL B CG1 1 ATOM 3668 C CG2 . VAL B 2 152 ? -47.402 17.567 -31.728 1.00 75.26 ? 152 VAL B CG2 1 ATOM 3669 N N . LYS B 2 153 ? -45.768 16.459 -27.642 1.00 76.89 ? 153 LYS B N 1 ATOM 3670 C CA . LYS B 2 153 ? -45.891 16.159 -26.217 1.00 77.74 ? 153 LYS B CA 1 ATOM 3671 C C . LYS B 2 153 ? -44.729 16.667 -25.354 1.00 78.63 ? 153 LYS B C 1 ATOM 3672 O O . LYS B 2 153 ? -44.960 17.357 -24.357 1.00 78.73 ? 153 LYS B O 1 ATOM 3673 C CB . LYS B 2 153 ? -46.128 14.659 -26.017 1.00 77.53 ? 153 LYS B CB 1 ATOM 3674 C CG . LYS B 2 153 ? -47.509 14.213 -26.491 1.00 77.07 ? 153 LYS B CG 1 ATOM 3675 C CD . LYS B 2 153 ? -47.518 12.798 -27.045 1.00 76.52 ? 153 LYS B CD 1 ATOM 3676 C CE . LYS B 2 153 ? -47.522 11.750 -25.952 1.00 76.32 ? 153 LYS B CE 1 ATOM 3677 N NZ . LYS B 2 153 ? -47.854 10.408 -26.495 1.00 76.00 ? 153 LYS B NZ 1 ATOM 3678 N N . ASN B 2 154 ? -43.491 16.342 -25.723 1.00 79.72 ? 154 ASN B N 1 ATOM 3679 C CA . ASN B 2 154 ? -42.334 16.938 -25.038 1.00 80.71 ? 154 ASN B CA 1 ATOM 3680 C C . ASN B 2 154 ? -41.967 18.319 -25.608 1.00 81.44 ? 154 ASN B C 1 ATOM 3681 O O . ASN B 2 154 ? -40.988 18.940 -25.185 1.00 81.51 ? 154 ASN B O 1 ATOM 3682 C CB . ASN B 2 154 ? -41.128 15.968 -24.946 1.00 80.63 ? 154 ASN B CB 1 ATOM 3683 C CG . ASN B 2 154 ? -40.419 15.735 -26.289 1.00 80.70 ? 154 ASN B CG 1 ATOM 3684 O OD1 . ASN B 2 154 ? -40.984 15.938 -27.368 1.00 80.52 ? 154 ASN B OD1 1 ATOM 3685 N ND2 . ASN B 2 154 ? -39.166 15.287 -26.213 1.00 80.31 ? 154 ASN B ND2 1 ATOM 3686 N N . GLY B 2 155 ? -42.777 18.789 -26.558 1.00 82.25 ? 155 GLY B N 1 ATOM 3687 C CA . GLY B 2 155 ? -42.694 20.153 -27.073 1.00 83.36 ? 155 GLY B CA 1 ATOM 3688 C C . GLY B 2 155 ? -41.495 20.442 -27.951 1.00 84.24 ? 155 GLY B C 1 ATOM 3689 O O . GLY B 2 155 ? -40.799 21.433 -27.737 1.00 84.27 ? 155 GLY B O 1 ATOM 3690 N N . THR B 2 156 ? -41.257 19.574 -28.934 1.00 85.26 ? 156 THR B N 1 ATOM 3691 C CA . THR B 2 156 ? -40.196 19.764 -29.933 1.00 86.19 ? 156 THR B CA 1 ATOM 3692 C C . THR B 2 156 ? -40.813 19.818 -31.333 1.00 86.83 ? 156 THR B C 1 ATOM 3693 O O . THR B 2 156 ? -40.221 19.337 -32.304 1.00 86.90 ? 156 THR B O 1 ATOM 3694 C CB . THR B 2 156 ? -39.142 18.615 -29.901 1.00 86.17 ? 156 THR B CB 1 ATOM 3695 O OG1 . THR B 2 156 ? -39.272 17.843 -28.700 1.00 86.44 ? 156 THR B OG1 1 ATOM 3696 C CG2 . THR B 2 156 ? -37.722 19.171 -30.013 1.00 86.16 ? 156 THR B CG2 1 ATOM 3697 N N . TYR B 2 157 ? -41.999 20.416 -31.430 1.00 87.72 ? 157 TYR B N 1 ATOM 3698 C CA . TYR B 2 157 ? -42.782 20.392 -32.662 1.00 88.65 ? 157 TYR B CA 1 ATOM 3699 C C . TYR B 2 157 ? -42.159 21.200 -33.796 1.00 89.49 ? 157 TYR B C 1 ATOM 3700 O O . TYR B 2 157 ? -41.706 22.325 -33.593 1.00 89.56 ? 157 TYR B O 1 ATOM 3701 C CB . TYR B 2 157 ? -44.213 20.860 -32.399 1.00 88.50 ? 157 TYR B CB 1 ATOM 3702 C CG . TYR B 2 157 ? -45.116 20.791 -33.610 1.00 88.41 ? 157 TYR B CG 1 ATOM 3703 C CD1 . TYR B 2 157 ? -45.530 19.563 -34.129 1.00 88.40 ? 157 TYR B CD1 1 ATOM 3704 C CD2 . TYR B 2 157 ? -45.561 21.953 -34.235 1.00 88.22 ? 157 TYR B CD2 1 ATOM 3705 C CE1 . TYR B 2 157 ? -46.365 19.496 -35.245 1.00 88.41 ? 157 TYR B CE1 1 ATOM 3706 C CE2 . TYR B 2 157 ? -46.398 21.897 -35.349 1.00 88.31 ? 157 TYR B CE2 1 ATOM 3707 C CZ . TYR B 2 157 ? -46.797 20.668 -35.850 1.00 88.28 ? 157 TYR B CZ 1 ATOM 3708 O OH . TYR B 2 157 ? -47.622 20.613 -36.954 1.00 87.99 ? 157 TYR B OH 1 ATOM 3709 N N . ASP B 2 158 ? -42.148 20.609 -34.988 1.00 90.64 ? 158 ASP B N 1 ATOM 3710 C CA . ASP B 2 158 ? -41.617 21.258 -36.188 1.00 91.64 ? 158 ASP B CA 1 ATOM 3711 C C . ASP B 2 158 ? -42.737 21.725 -37.135 1.00 92.21 ? 158 ASP B C 1 ATOM 3712 O O . ASP B 2 158 ? -43.282 20.943 -37.929 1.00 92.14 ? 158 ASP B O 1 ATOM 3713 C CB . ASP B 2 158 ? -40.622 20.335 -36.912 1.00 91.72 ? 158 ASP B CB 1 ATOM 3714 C CG . ASP B 2 158 ? -39.828 21.056 -37.994 1.00 92.19 ? 158 ASP B CG 1 ATOM 3715 O OD1 . ASP B 2 158 ? -39.993 20.708 -39.187 1.00 92.38 ? 158 ASP B OD1 1 ATOM 3716 O OD2 . ASP B 2 158 ? -39.044 21.971 -37.652 1.00 92.57 ? 158 ASP B OD2 1 ATOM 3717 N N . TYR B 2 159 ? -43.070 23.010 -37.024 1.00 92.96 ? 159 TYR B N 1 ATOM 3718 C CA . TYR B 2 159 ? -44.033 23.675 -37.906 1.00 93.62 ? 159 TYR B CA 1 ATOM 3719 C C . TYR B 2 159 ? -43.480 23.918 -39.325 1.00 94.19 ? 159 TYR B C 1 ATOM 3720 O O . TYR B 2 159 ? -44.252 23.882 -40.294 1.00 94.21 ? 159 TYR B O 1 ATOM 3721 C CB . TYR B 2 159 ? -44.514 24.988 -37.268 1.00 93.54 ? 159 TYR B CB 1 ATOM 3722 C CG . TYR B 2 159 ? -45.736 25.616 -37.910 1.00 93.37 ? 159 TYR B CG 1 ATOM 3723 C CD1 . TYR B 2 159 ? -46.862 24.850 -38.224 1.00 92.93 ? 159 TYR B CD1 1 ATOM 3724 C CD2 . TYR B 2 159 ? -45.777 26.986 -38.173 1.00 93.23 ? 159 TYR B CD2 1 ATOM 3725 C CE1 . TYR B 2 159 ? -47.985 25.430 -38.801 1.00 92.88 ? 159 TYR B CE1 1 ATOM 3726 C CE2 . TYR B 2 159 ? -46.899 27.574 -38.751 1.00 93.07 ? 159 TYR B CE2 1 ATOM 3727 C CZ . TYR B 2 159 ? -47.997 26.789 -39.061 1.00 92.98 ? 159 TYR B CZ 1 ATOM 3728 O OH . TYR B 2 159 ? -49.108 27.362 -39.629 1.00 92.78 ? 159 TYR B OH 1 ATOM 3729 N N . PRO B 2 160 ? -42.149 24.173 -39.455 1.00 94.70 ? 160 PRO B N 1 ATOM 3730 C CA . PRO B 2 160 ? -41.515 24.283 -40.783 1.00 95.03 ? 160 PRO B CA 1 ATOM 3731 C C . PRO B 2 160 ? -41.503 22.985 -41.614 1.00 95.34 ? 160 PRO B C 1 ATOM 3732 O O . PRO B 2 160 ? -40.598 22.785 -42.432 1.00 95.35 ? 160 PRO B O 1 ATOM 3733 C CB . PRO B 2 160 ? -40.077 24.714 -40.450 1.00 95.05 ? 160 PRO B CB 1 ATOM 3734 C CG . PRO B 2 160 ? -40.173 25.375 -39.123 1.00 94.88 ? 160 PRO B CG 1 ATOM 3735 C CD . PRO B 2 160 ? -41.215 24.594 -38.387 1.00 94.72 ? 160 PRO B CD 1 ATOM 3736 N N . GLN B 2 161 ? -42.498 22.123 -41.407 1.00 95.66 ? 161 GLN B N 1 ATOM 3737 C CA . GLN B 2 161 ? -42.664 20.916 -42.212 1.00 95.91 ? 161 GLN B CA 1 ATOM 3738 C C . GLN B 2 161 ? -44.084 20.819 -42.775 1.00 96.14 ? 161 GLN B C 1 ATOM 3739 O O . GLN B 2 161 ? -44.273 20.826 -43.990 1.00 96.19 ? 161 GLN B O 1 ATOM 3740 C CB . GLN B 2 161 ? -42.306 19.663 -41.406 1.00 95.79 ? 161 GLN B CB 1 ATOM 3741 N N . TYR B 2 162 ? -45.075 20.754 -41.888 1.00 96.50 ? 162 TYR B N 1 ATOM 3742 C CA . TYR B 2 162 ? -46.468 20.499 -42.283 1.00 96.77 ? 162 TYR B CA 1 ATOM 3743 C C . TYR B 2 162 ? -46.983 21.882 -42.682 1.00 96.87 ? 162 TYR B C 1 ATOM 3744 O O . TYR B 2 162 ? -48.139 22.026 -43.094 1.00 96.81 ? 162 TYR B O 1 ATOM 3745 C CB . TYR B 2 162 ? -47.225 19.755 -41.167 1.00 96.77 ? 162 TYR B CB 1 ATOM 3746 C CG . TYR B 2 162 ? -46.518 18.516 -40.649 1.00 96.87 ? 162 TYR B CG 1 ATOM 3747 C CD1 . TYR B 2 162 ? -46.654 17.286 -41.296 1.00 96.99 ? 162 TYR B CD1 1 ATOM 3748 C CD2 . TYR B 2 162 ? -45.706 18.577 -39.516 1.00 96.98 ? 162 TYR B CD2 1 ATOM 3749 C CE1 . TYR B 2 162 ? -46.002 16.147 -40.825 1.00 97.10 ? 162 TYR B CE1 1 ATOM 3750 C CE2 . TYR B 2 162 ? -45.046 17.447 -39.039 1.00 97.05 ? 162 TYR B CE2 1 ATOM 3751 C CZ . TYR B 2 162 ? -45.199 16.237 -39.697 1.00 97.15 ? 162 TYR B CZ 1 ATOM 3752 O OH . TYR B 2 162 ? -44.550 15.120 -39.223 1.00 97.04 ? 162 TYR B OH 1 ATOM 3753 N N . SER B 2 163 ? -46.099 22.876 -42.603 1.00 98.14 ? 163 SER B N 1 ATOM 3754 C CA . SER B 2 163 ? -46.444 24.302 -42.722 1.00 98.20 ? 163 SER B CA 1 ATOM 3755 C C . SER B 2 163 ? -47.537 24.762 -43.725 1.00 98.35 ? 163 SER B C 1 ATOM 3756 O O . SER B 2 163 ? -48.340 25.634 -43.391 1.00 98.28 ? 163 SER B O 1 ATOM 3757 C CB . SER B 2 163 ? -45.172 25.135 -42.891 1.00 98.08 ? 163 SER B CB 1 ATOM 3758 O OG . SER B 2 163 ? -44.922 25.904 -41.729 1.00 97.62 ? 163 SER B OG 1 ATOM 3759 N N . GLU B 2 164 ? -47.560 24.200 -44.934 1.00 97.74 ? 164 GLU B N 1 ATOM 3760 C CA . GLU B 2 164 ? -48.551 24.557 -45.961 1.00 98.00 ? 164 GLU B CA 1 ATOM 3761 C C . GLU B 2 164 ? -49.760 23.657 -46.263 1.00 98.07 ? 164 GLU B C 1 ATOM 3762 O O . GLU B 2 164 ? -50.816 24.154 -46.670 1.00 97.95 ? 164 GLU B O 1 ATOM 3763 C CB . GLU B 2 164 ? -47.799 24.762 -47.277 1.00 20.00 ? 164 GLU B CB 1 ATOM 3764 C CG . GLU B 2 164 ? -46.790 25.900 -47.246 1.00 20.00 ? 164 GLU B CG 1 ATOM 3765 C CD . GLU B 2 164 ? -46.015 26.025 -48.544 1.00 20.00 ? 164 GLU B CD 1 ATOM 3766 O OE1 . GLU B 2 164 ? -46.124 25.117 -49.393 1.00 20.00 ? 164 GLU B OE1 1 ATOM 3767 O OE2 . GLU B 2 164 ? -45.294 27.031 -48.712 1.00 20.00 ? 164 GLU B OE2 1 ATOM 3768 N N . GLU B 2 165 ? -49.595 22.351 -46.039 1.00 98.22 ? 165 GLU B N 1 ATOM 3769 C CA . GLU B 2 165 ? -50.552 21.299 -46.446 1.00 98.29 ? 165 GLU B CA 1 ATOM 3770 C C . GLU B 2 165 ? -52.043 21.556 -46.141 1.00 98.56 ? 165 GLU B C 1 ATOM 3771 O O . GLU B 2 165 ? -52.918 20.961 -46.779 1.00 98.48 ? 165 GLU B O 1 ATOM 3772 C CB . GLU B 2 165 ? -50.114 19.949 -45.857 1.00 98.16 ? 165 GLU B CB 1 ATOM 3773 C CG . GLU B 2 165 ? -50.689 18.714 -46.550 1.00 97.49 ? 165 GLU B CG 1 ATOM 3774 C CD . GLU B 2 165 ? -50.282 17.406 -45.881 1.00 96.68 ? 165 GLU B CD 1 ATOM 3775 O OE1 . GLU B 2 165 ? -49.138 17.304 -45.383 1.00 96.05 ? 165 GLU B OE1 1 ATOM 3776 O OE2 . GLU B 2 165 ? -51.111 16.472 -45.858 1.00 96.20 ? 165 GLU B OE2 1 ATOM 3777 N N . ALA B 2 166 ? -52.322 22.438 -45.178 1.00 98.90 ? 166 ALA B N 1 ATOM 3778 C CA . ALA B 2 166 ? -53.698 22.762 -44.764 1.00 99.18 ? 166 ALA B CA 1 ATOM 3779 C C . ALA B 2 166 ? -54.519 23.508 -45.826 1.00 99.36 ? 166 ALA B C 1 ATOM 3780 O O . ALA B 2 166 ? -55.745 23.620 -45.710 1.00 99.23 ? 166 ALA B O 1 ATOM 3781 C CB . ALA B 2 166 ? -53.679 23.552 -43.462 1.00 99.20 ? 166 ALA B CB 1 ATOM 3782 N N . ARG B 2 167 ? -53.835 24.012 -46.852 1.00 99.66 ? 167 ARG B N 1 ATOM 3783 C CA . ARG B 2 167 ? -54.476 24.742 -47.946 1.00 99.89 ? 167 ARG B CA 1 ATOM 3784 C C . ARG B 2 167 ? -55.069 23.792 -48.990 1.00 99.84 ? 167 ARG B C 1 ATOM 3785 O O . ARG B 2 167 ? -56.210 23.346 -48.862 1.00 99.79 ? 167 ARG B O 1 ATOM 3786 C CB . ARG B 2 167 ? -53.480 25.717 -48.597 1.00 99.99 ? 167 ARG B CB 1 ATOM 3787 C CG . ARG B 2 167 ? -53.036 26.877 -47.704 1.00 100.28 ? 167 ARG B CG 1 ATOM 3788 C CD . ARG B 2 167 ? -52.090 27.824 -48.436 1.00 100.75 ? 167 ARG B CD 1 ATOM 3789 N NE . ARG B 2 167 ? -51.607 28.898 -47.563 1.00 100.83 ? 167 ARG B NE 1 ATOM 3790 C CZ . ARG B 2 167 ? -50.684 29.797 -47.903 1.00 100.71 ? 167 ARG B CZ 1 ATOM 3791 N NH1 . ARG B 2 167 ? -50.128 29.777 -49.109 1.00 100.74 ? 167 ARG B NH1 1 ATOM 3792 N NH2 . ARG B 2 167 ? -50.321 30.728 -47.034 1.00 100.55 ? 167 ARG B NH2 1 HETATM 3793 S S . SO4 C 3 . ? -63.933 4.764 67.229 1.00 42.52 ? 327 SO4 A S 1 HETATM 3794 O O1 . SO4 C 3 . ? -63.212 5.962 66.798 1.00 42.64 ? 327 SO4 A O1 1 HETATM 3795 O O2 . SO4 C 3 . ? -64.323 3.959 66.084 1.00 42.66 ? 327 SO4 A O2 1 HETATM 3796 O O3 . SO4 C 3 . ? -63.051 3.971 68.086 1.00 42.35 ? 327 SO4 A O3 1 HETATM 3797 O O4 . SO4 C 3 . ? -65.157 5.151 67.922 1.00 42.29 ? 327 SO4 A O4 1 HETATM 3798 S S . SO4 D 3 . ? -41.971 11.470 74.082 1.00 38.04 ? 328 SO4 A S 1 HETATM 3799 O O1 . SO4 D 3 . ? -40.615 10.966 74.297 1.00 37.75 ? 328 SO4 A O1 1 HETATM 3800 O O2 . SO4 D 3 . ? -41.998 12.168 72.803 1.00 37.89 ? 328 SO4 A O2 1 HETATM 3801 O O3 . SO4 D 3 . ? -42.903 10.349 74.063 1.00 38.24 ? 328 SO4 A O3 1 HETATM 3802 O O4 . SO4 D 3 . ? -42.370 12.391 75.144 1.00 37.40 ? 328 SO4 A O4 1 HETATM 3803 C C1 . NAG E 4 . ? -73.380 16.114 1.633 1.00 61.79 ? 329 NAG A C1 1 HETATM 3804 C C2 . NAG E 4 . ? -74.850 16.511 1.871 1.00 64.26 ? 329 NAG A C2 1 HETATM 3805 C C3 . NAG E 4 . ? -75.513 15.851 3.088 1.00 64.33 ? 329 NAG A C3 1 HETATM 3806 C C4 . NAG E 4 . ? -75.015 14.433 3.376 1.00 64.29 ? 329 NAG A C4 1 HETATM 3807 C C5 . NAG E 4 . ? -73.487 14.381 3.256 1.00 63.55 ? 329 NAG A C5 1 HETATM 3808 C C6 . NAG E 4 . ? -72.889 13.023 3.635 1.00 63.02 ? 329 NAG A C6 1 HETATM 3809 C C7 . NAG E 4 . ? -75.106 18.813 1.034 1.00 65.75 ? 329 NAG A C7 1 HETATM 3810 C C8 . NAG E 4 . ? -75.224 20.263 1.416 1.00 65.71 ? 329 NAG A C8 1 HETATM 3811 N N2 . NAG E 4 . ? -74.971 17.952 2.046 1.00 65.11 ? 329 NAG A N2 1 HETATM 3812 O O3 . NAG E 4 . ? -76.913 15.844 2.898 1.00 64.37 ? 329 NAG A O3 1 HETATM 3813 O O4 . NAG E 4 . ? -75.439 14.057 4.671 1.00 65.02 ? 329 NAG A O4 1 HETATM 3814 O O5 . NAG E 4 . ? -73.126 14.747 1.934 1.00 63.16 ? 329 NAG A O5 1 HETATM 3815 O O6 . NAG E 4 . ? -73.080 12.081 2.605 1.00 62.53 ? 329 NAG A O6 1 HETATM 3816 O O7 . NAG E 4 . ? -75.133 18.474 -0.152 1.00 65.73 ? 329 NAG A O7 1 HETATM 3817 C C1 . NAG F 4 . ? -28.585 19.639 60.069 1.00 44.16 ? 330 NAG A C1 1 HETATM 3818 C C2 . NAG F 4 . ? -28.221 21.085 60.385 1.00 46.87 ? 330 NAG A C2 1 HETATM 3819 C C3 . NAG F 4 . ? -27.077 21.591 59.514 1.00 48.89 ? 330 NAG A C3 1 HETATM 3820 C C4 . NAG F 4 . ? -25.897 20.618 59.494 1.00 50.61 ? 330 NAG A C4 1 HETATM 3821 C C5 . NAG F 4 . ? -26.438 19.229 59.121 1.00 49.00 ? 330 NAG A C5 1 HETATM 3822 C C6 . NAG F 4 . ? -25.367 18.144 59.033 1.00 49.09 ? 330 NAG A C6 1 HETATM 3823 C C7 . NAG F 4 . ? -30.115 22.458 61.040 1.00 46.44 ? 330 NAG A C7 1 HETATM 3824 C C8 . NAG F 4 . ? -31.228 23.323 60.530 1.00 46.71 ? 330 NAG A C8 1 HETATM 3825 N N2 . NAG F 4 . ? -29.347 21.936 60.099 1.00 46.38 ? 330 NAG A N2 1 HETATM 3826 O O3 . NAG F 4 . ? -26.689 22.884 59.929 1.00 49.01 ? 330 NAG A O3 1 HETATM 3827 O O4 . NAG F 4 . ? -24.964 21.085 58.537 1.00 54.70 ? 330 NAG A O4 1 HETATM 3828 O O5 . NAG F 4 . ? -27.423 18.832 60.058 1.00 46.94 ? 330 NAG A O5 1 HETATM 3829 O O6 . NAG F 4 . ? -24.498 18.220 60.140 1.00 49.55 ? 330 NAG A O6 1 HETATM 3830 O O7 . NAG F 4 . ? -29.954 22.263 62.245 1.00 46.15 ? 330 NAG A O7 1 HETATM 3831 C C1 . NAG G 4 . ? -23.652 21.328 59.087 1.00 58.64 ? 331 NAG A C1 1 HETATM 3832 C C2 . NAG G 4 . ? -22.692 21.478 57.910 1.00 60.58 ? 331 NAG A C2 1 HETATM 3833 C C3 . NAG G 4 . ? -21.256 21.781 58.360 1.00 61.56 ? 331 NAG A C3 1 HETATM 3834 C C4 . NAG G 4 . ? -21.153 22.757 59.544 1.00 61.63 ? 331 NAG A C4 1 HETATM 3835 C C5 . NAG G 4 . ? -22.308 22.661 60.553 1.00 61.27 ? 331 NAG A C5 1 HETATM 3836 C C6 . NAG G 4 . ? -22.341 23.932 61.395 1.00 61.14 ? 331 NAG A C6 1 HETATM 3837 C C7 . NAG G 4 . ? -23.259 20.284 55.830 1.00 62.23 ? 331 NAG A C7 1 HETATM 3838 C C8 . NAG G 4 . ? -23.242 18.972 55.093 1.00 61.64 ? 331 NAG A C8 1 HETATM 3839 N N2 . NAG G 4 . ? -22.744 20.284 57.071 1.00 61.68 ? 331 NAG A N2 1 HETATM 3840 O O3 . NAG G 4 . ? -20.572 22.365 57.273 1.00 61.96 ? 331 NAG A O3 1 HETATM 3841 O O4 . NAG G 4 . ? -19.926 22.558 60.218 1.00 61.40 ? 331 NAG A O4 1 HETATM 3842 O O5 . NAG G 4 . ? -23.566 22.483 59.909 1.00 60.43 ? 331 NAG A O5 1 HETATM 3843 O O6 . NAG G 4 . ? -23.392 23.854 62.327 1.00 61.32 ? 331 NAG A O6 1 HETATM 3844 O O7 . NAG G 4 . ? -23.731 21.286 55.280 1.00 62.28 ? 331 NAG A O7 1 HETATM 3845 O O . HOH H 5 . ? -59.127 15.587 50.548 1.00 2.00 ? 332 HOH A O 1 HETATM 3846 O O . HOH H 5 . ? -64.347 8.105 51.572 1.00 2.00 ? 333 HOH A O 1 HETATM 3847 O O . HOH H 5 . ? -57.970 13.764 45.255 1.00 19.73 ? 334 HOH A O 1 HETATM 3848 O O . HOH H 5 . ? -40.909 1.441 65.034 1.00 26.81 ? 335 HOH A O 1 HETATM 3849 O O . HOH H 5 . ? -62.951 13.280 67.974 1.00 13.87 ? 336 HOH A O 1 HETATM 3850 O O . HOH H 5 . ? -56.034 25.244 63.370 1.00 15.79 ? 337 HOH A O 1 HETATM 3851 O O . HOH H 5 . ? -48.003 23.711 55.809 1.00 16.22 ? 338 HOH A O 1 HETATM 3852 O O . HOH H 5 . ? -48.679 24.169 52.277 1.00 10.92 ? 339 HOH A O 1 HETATM 3853 O O . HOH H 5 . ? -50.340 22.614 54.146 1.00 16.59 ? 340 HOH A O 1 HETATM 3854 O O . HOH H 5 . ? -39.650 16.051 32.955 1.00 17.84 ? 341 HOH A O 1 HETATM 3855 O O . HOH H 5 . ? -51.898 4.357 14.988 1.00 17.59 ? 342 HOH A O 1 HETATM 3856 O O . HOH H 5 . ? -63.720 18.795 4.196 1.00 19.52 ? 343 HOH A O 1 HETATM 3857 O O . HOH I 5 . ? -60.092 14.752 -19.582 1.00 26.79 ? 183 HOH B O 1 HETATM 3858 O O . HOH I 5 . ? -51.256 9.127 -39.370 1.00 36.50 ? 184 HOH B O 1 HETATM 3859 O O . HOH I 5 . ? -61.896 32.200 45.248 1.00 4.81 ? 185 HOH B O 1 HETATM 3860 O O . HOH I 5 . ? -67.087 29.349 28.246 1.00 29.26 ? 186 HOH B 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 ASP 1 -2 ? ? ? A . n A 1 2 LEU 2 -1 ? ? ? A . n A 1 3 GLY 3 0 ? ? ? A . n A 1 4 SER 4 1 ? ? ? A . n A 1 5 MET 5 2 ? ? ? A . n A 1 6 ALA 6 3 ? ? ? A . n A 1 7 ASP 7 4 ? ? ? A . n A 1 8 PRO 8 5 ? ? ? A . n A 1 9 GLY 9 6 ? ? ? A . n A 1 10 TYR 10 7 ? ? ? A . n A 1 11 LEU 11 8 ? ? ? A . n A 1 12 LEU 12 9 ? ? ? A . n A 1 13 GLU 13 10 10 GLU GLU A . n A 1 14 ASP 14 11 11 ASP ASP A . n A 1 15 GLN 15 12 12 GLN GLN A . n A 1 16 ILE 16 13 13 ILE ILE A . n A 1 17 CYS 17 14 14 CYS CYS A . n A 1 18 ILE 18 15 15 ILE ILE A . n A 1 19 GLY 19 16 16 GLY GLY A . n A 1 20 TYR 20 17 17 TYR TYR A . n A 1 21 HIS 21 18 18 HIS HIS A . n A 1 22 ALA 22 19 19 ALA ALA A . n A 1 23 ASN 23 19 19 ASN ASN A A n A 1 24 ASN 24 20 20 ASN ASN A . n A 1 25 SER 25 21 21 SER SER A . n A 1 26 THR 26 22 22 THR THR A . n A 1 27 GLU 27 23 23 GLU GLU A . n A 1 28 GLN 28 24 24 GLN GLN A . n A 1 29 VAL 29 25 25 VAL VAL A . n A 1 30 ASP 30 26 26 ASP ASP A . n A 1 31 THR 31 27 27 THR THR A . n A 1 32 ILE 32 28 28 ILE ILE A . n A 1 33 MET 33 31 31 MET MET A . n A 1 34 GLU 34 32 32 GLU GLU A . n A 1 35 LYS 35 33 33 LYS LYS A . n A 1 36 ASN 36 34 34 ASN ASN A . n A 1 37 VAL 37 35 35 VAL VAL A . n A 1 38 THR 38 35 35 THR THR A A n A 1 39 VAL 39 36 36 VAL VAL A . n A 1 40 THR 40 37 37 THR THR A . n A 1 41 HIS 41 38 38 HIS HIS A . n A 1 42 ALA 42 39 39 ALA ALA A . n A 1 43 GLN 43 40 40 GLN GLN A . n A 1 44 ASP 44 41 41 ASP ASP A . n A 1 45 ILE 45 42 42 ILE ILE A . n A 1 46 LEU 46 43 43 LEU LEU A . n A 1 47 GLU 47 44 44 GLU GLU A . n A 1 48 LYS 48 45 45 LYS LYS A . n A 1 49 THR 49 46 46 THR THR A . n A 1 50 HIS 50 47 47 HIS HIS A . n A 1 51 ASN 51 48 48 ASN ASN A . n A 1 52 GLY 52 49 49 GLY GLY A . n A 1 53 LYS 53 50 50 LYS LYS A . n A 1 54 LEU 54 51 51 LEU LEU A . n A 1 55 CYS 55 52 52 CYS CYS A . n A 1 56 ASP 56 53 53 ASP ASP A . n A 1 57 LEU 57 53 53 LEU LEU A A n A 1 58 ASP 58 54 54 ASP ASP A . n A 1 59 GLY 59 55 55 GLY GLY A . n A 1 60 VAL 60 56 56 VAL VAL A . n A 1 61 LYS 61 57 57 LYS LYS A . n A 1 62 PRO 62 58 58 PRO PRO A . n A 1 63 LEU 63 59 59 LEU LEU A . n A 1 64 ILE 64 60 60 ILE ILE A . n A 1 65 LEU 65 61 61 LEU LEU A . n A 1 66 ARG 66 62 62 ARG ARG A . n A 1 67 ASP 67 63 63 ASP ASP A . n A 1 68 CYS 68 64 64 CYS CYS A . n A 1 69 SER 69 65 65 SER SER A . n A 1 70 VAL 70 66 66 VAL VAL A . n A 1 71 ALA 71 67 67 ALA ALA A . n A 1 72 GLY 72 68 68 GLY GLY A . n A 1 73 TRP 73 69 69 TRP TRP A . n A 1 74 LEU 74 70 70 LEU LEU A . n A 1 75 LEU 75 71 71 LEU LEU A . n A 1 76 GLY 76 72 72 GLY GLY A . n A 1 77 ASN 77 73 73 ASN ASN A . n A 1 78 PRO 78 74 74 PRO PRO A . n A 1 79 MET 79 75 75 MET MET A . n A 1 80 CYS 80 76 76 CYS CYS A . n A 1 81 ASP 81 77 77 ASP ASP A . n A 1 82 GLU 82 78 ? ? ? A . n A 1 83 PHE 83 79 ? ? ? A . n A 1 84 ILE 84 80 ? ? ? A . n A 1 85 ASN 85 81 81 ASN ASN A . n A 1 86 VAL 86 82 82 VAL VAL A . n A 1 87 PRO 87 82 82 PRO PRO A A n A 1 88 GLU 88 83 83 GLU GLU A . n A 1 89 TRP 89 84 84 TRP TRP A . n A 1 90 SER 90 85 85 SER SER A . n A 1 91 TYR 91 86 86 TYR TYR A . n A 1 92 ILE 92 87 87 ILE ILE A . n A 1 93 VAL 93 88 88 VAL VAL A . n A 1 94 GLU 94 89 89 GLU GLU A . n A 1 95 LYS 95 90 90 LYS LYS A . n A 1 96 ALA 96 91 91 ALA ALA A . n A 1 97 SER 97 92 92 SER SER A . n A 1 98 PRO 98 93 93 PRO PRO A . n A 1 99 ALA 99 94 94 ALA ALA A . n A 1 100 ASN 100 95 95 ASN ASN A . n A 1 101 ASP 101 96 96 ASP ASP A . n A 1 102 LEU 102 96 96 LEU LEU A A n A 1 103 CYS 103 97 97 CYS CYS A . n A 1 104 TYR 104 98 98 TYR TYR A . n A 1 105 PRO 105 99 99 PRO PRO A . n A 1 106 GLY 106 100 100 GLY GLY A . n A 1 107 ASP 107 101 101 ASP ASP A . n A 1 108 PHE 108 102 102 PHE PHE A . n A 1 109 ASN 109 103 103 ASN ASN A . n A 1 110 ASP 110 104 104 ASP ASP A . n A 1 111 TYR 111 105 105 TYR TYR A . n A 1 112 GLU 112 106 106 GLU GLU A . n A 1 113 GLU 113 107 107 GLU GLU A . n A 1 114 LEU 114 108 108 LEU LEU A . n A 1 115 LYS 115 109 109 LYS LYS A . n A 1 116 HIS 116 110 110 HIS HIS A . n A 1 117 LEU 117 111 111 LEU LEU A . n A 1 118 LEU 118 112 112 LEU LEU A . n A 1 119 SER 119 113 113 SER SER A . n A 1 120 ARG 120 114 114 ARG ARG A . n A 1 121 ILE 121 115 115 ILE ILE A . n A 1 122 ASN 122 116 116 ASN ASN A . n A 1 123 HIS 123 117 117 HIS HIS A . n A 1 124 PHE 124 118 118 PHE PHE A . n A 1 125 GLU 125 119 119 GLU GLU A . n A 1 126 LYS 126 120 120 LYS LYS A . n A 1 127 ILE 127 121 121 ILE ILE A . n A 1 128 GLN 128 122 122 GLN GLN A . n A 1 129 ILE 129 123 123 ILE ILE A . n A 1 130 ILE 130 124 124 ILE ILE A . n A 1 131 PRO 131 125 125 PRO PRO A . n A 1 132 LYS 132 125 125 LYS LYS A A n A 1 133 SER 133 125 125 SER SER A B n A 1 134 SER 134 126 126 SER SER A . n A 1 135 TRP 135 127 127 TRP TRP A . n A 1 136 SER 136 128 128 SER SER A . n A 1 137 ASN 137 129 129 ASN ASN A . n A 1 138 HIS 138 130 130 HIS HIS A . n A 1 139 GLU 139 131 131 GLU GLU A . n A 1 140 ALA 140 132 132 ALA ALA A . n A 1 141 SER 141 133 133 SER SER A . n A 1 142 SER 142 133 133 SER SER A A n A 1 143 GLY 143 134 134 GLY GLY A . n A 1 144 VAL 144 135 135 VAL VAL A . n A 1 145 SER 145 136 136 SER SER A . n A 1 146 SER 146 137 137 SER SER A . n A 1 147 ALA 147 138 138 ALA ALA A . n A 1 148 CYS 148 139 139 CYS CYS A . n A 1 149 PRO 149 140 140 PRO PRO A . n A 1 150 TYR 150 141 141 TYR TYR A . n A 1 151 LEU 151 142 142 LEU LEU A . n A 1 152 GLY 152 143 143 GLY GLY A . n A 1 153 LYS 153 144 144 LYS LYS A . n A 1 154 SER 154 145 145 SER SER A . n A 1 155 SER 155 146 146 SER SER A . n A 1 156 PHE 156 147 147 PHE PHE A . n A 1 157 PHE 157 148 148 PHE PHE A . n A 1 158 ARG 158 149 149 ARG ARG A . n A 1 159 ASN 159 150 150 ASN ASN A . n A 1 160 VAL 160 151 151 VAL VAL A . n A 1 161 VAL 161 152 152 VAL VAL A . n A 1 162 TRP 162 153 153 TRP TRP A . n A 1 163 LEU 163 154 154 LEU LEU A . n A 1 164 ILE 164 155 155 ILE ILE A . n A 1 165 LYS 165 156 156 LYS LYS A . n A 1 166 LYS 166 157 157 LYS LYS A . n A 1 167 ASN 167 158 158 ASN ASN A . n A 1 168 SER 168 159 159 SER SER A . n A 1 169 ALA 169 160 160 ALA ALA A . n A 1 170 TYR 170 161 161 TYR TYR A . n A 1 171 PRO 171 162 162 PRO PRO A . n A 1 172 THR 172 163 163 THR THR A . n A 1 173 ILE 173 164 164 ILE ILE A . n A 1 174 LYS 174 165 165 LYS LYS A . n A 1 175 ARG 175 166 166 ARG ARG A . n A 1 176 SER 176 167 167 SER SER A . n A 1 177 TYR 177 168 168 TYR TYR A . n A 1 178 ASN 178 169 169 ASN ASN A . n A 1 179 ASN 179 170 170 ASN ASN A . n A 1 180 THR 180 171 171 THR THR A . n A 1 181 ASN 181 172 172 ASN ASN A . n A 1 182 GLN 182 173 173 GLN GLN A . n A 1 183 GLU 183 174 174 GLU GLU A . n A 1 184 ASP 184 175 175 ASP ASP A . n A 1 185 LEU 185 176 176 LEU LEU A . n A 1 186 LEU 186 177 177 LEU LEU A . n A 1 187 VAL 187 178 178 VAL VAL A . n A 1 188 LEU 188 179 179 LEU LEU A . n A 1 189 TRP 189 180 180 TRP TRP A . n A 1 190 GLY 190 181 181 GLY GLY A . n A 1 191 ILE 191 182 182 ILE ILE A . n A 1 192 HIS 192 183 183 HIS HIS A . n A 1 193 HIS 193 184 184 HIS HIS A . n A 1 194 PRO 194 185 185 PRO PRO A . n A 1 195 ASN 195 186 186 ASN ASN A . n A 1 196 ASP 196 187 187 ASP ASP A . n A 1 197 ALA 197 188 188 ALA ALA A . n A 1 198 ALA 198 189 189 ALA ALA A . n A 1 199 GLU 199 190 190 GLU GLU A . n A 1 200 GLN 200 191 191 GLN GLN A . n A 1 201 THR 201 192 192 THR THR A . n A 1 202 LYS 202 193 193 LYS LYS A . n A 1 203 LEU 203 194 194 LEU LEU A . n A 1 204 TYR 204 195 195 TYR TYR A . n A 1 205 GLN 205 196 196 GLN GLN A . n A 1 206 ASN 206 197 197 ASN ASN A . n A 1 207 PRO 207 198 198 PRO PRO A . n A 1 208 THR 208 199 199 THR THR A . n A 1 209 THR 209 200 200 THR THR A . n A 1 210 TYR 210 201 201 TYR TYR A . n A 1 211 ILE 211 202 202 ILE ILE A . n A 1 212 SER 212 203 203 SER SER A . n A 1 213 VAL 213 204 204 VAL VAL A . n A 1 214 GLY 214 205 205 GLY GLY A . n A 1 215 THR 215 206 206 THR THR A . n A 1 216 SER 216 207 207 SER SER A . n A 1 217 THR 217 208 208 THR THR A . n A 1 218 LEU 218 209 209 LEU LEU A . n A 1 219 ASN 219 210 210 ASN ASN A . n A 1 220 GLN 220 211 211 GLN GLN A . n A 1 221 ARG 221 212 212 ARG ARG A . n A 1 222 LEU 222 213 213 LEU LEU A . n A 1 223 VAL 223 214 214 VAL VAL A . n A 1 224 PRO 224 215 215 PRO PRO A . n A 1 225 LYS 225 216 216 LYS LYS A . n A 1 226 ILE 226 217 217 ILE ILE A . n A 1 227 ALA 227 218 218 ALA ALA A . n A 1 228 THR 228 219 219 THR THR A . n A 1 229 ARG 229 220 220 ARG ARG A . n A 1 230 SER 230 221 221 SER SER A . n A 1 231 LYS 231 222 222 LYS LYS A . n A 1 232 VAL 232 223 223 VAL VAL A . n A 1 233 ASN 233 224 224 ASN ASN A . n A 1 234 GLY 234 225 225 GLY GLY A . n A 1 235 GLN 235 226 226 GLN GLN A . n A 1 236 SER 236 227 227 SER SER A . n A 1 237 GLY 237 228 228 GLY GLY A . n A 1 238 ARG 238 229 229 ARG ARG A . n A 1 239 MET 239 230 230 MET MET A . n A 1 240 GLU 240 231 231 GLU GLU A . n A 1 241 PHE 241 232 232 PHE PHE A . n A 1 242 PHE 242 233 233 PHE PHE A . n A 1 243 TRP 243 234 234 TRP TRP A . n A 1 244 THR 244 235 235 THR THR A . n A 1 245 ILE 245 236 236 ILE ILE A . n A 1 246 LEU 246 237 237 LEU LEU A . n A 1 247 LYS 247 238 238 LYS LYS A . n A 1 248 PRO 248 239 239 PRO PRO A . n A 1 249 ASN 249 240 240 ASN ASN A . n A 1 250 ASP 250 241 241 ASP ASP A . n A 1 251 ALA 251 242 242 ALA ALA A . n A 1 252 ILE 252 243 243 ILE ILE A . n A 1 253 ASN 253 244 244 ASN ASN A . n A 1 254 PHE 254 245 245 PHE PHE A . n A 1 255 GLU 255 246 246 GLU GLU A . n A 1 256 SER 256 247 247 SER SER A . n A 1 257 ASN 257 248 248 ASN ASN A . n A 1 258 GLY 258 249 249 GLY GLY A . n A 1 259 ASN 259 250 250 ASN ASN A . n A 1 260 PHE 260 251 251 PHE PHE A . n A 1 261 ILE 261 252 252 ILE ILE A . n A 1 262 ALA 262 253 253 ALA ALA A . n A 1 263 PRO 263 254 254 PRO PRO A . n A 1 264 GLU 264 255 255 GLU GLU A . n A 1 265 TYR 265 256 256 TYR TYR A . n A 1 266 ALA 266 257 257 ALA ALA A . n A 1 267 TYR 267 258 258 TYR TYR A . n A 1 268 LYS 268 259 259 LYS LYS A . n A 1 269 ILE 269 260 260 ILE ILE A . n A 1 270 VAL 270 261 261 VAL VAL A . n A 1 271 LYS 271 262 262 LYS LYS A . n A 1 272 LYS 272 263 263 LYS LYS A . n A 1 273 GLY 273 264 264 GLY GLY A . n A 1 274 ASP 274 264 264 ASP ASP A A n A 1 275 SER 275 265 265 SER SER A . n A 1 276 ALA 276 266 266 ALA ALA A . n A 1 277 ILE 277 267 267 ILE ILE A . n A 1 278 MET 278 268 268 MET MET A . n A 1 279 LYS 279 269 269 LYS LYS A . n A 1 280 SER 280 270 270 SER SER A . n A 1 281 GLU 281 271 271 GLU GLU A . n A 1 282 LEU 282 272 272 LEU LEU A . n A 1 283 GLU 283 273 273 GLU GLU A . n A 1 284 TYR 284 274 274 TYR TYR A . n A 1 285 GLY 285 275 275 GLY GLY A . n A 1 286 ASN 286 276 276 ASN ASN A . n A 1 287 CYS 287 277 277 CYS CYS A . n A 1 288 ASN 288 278 278 ASN ASN A . n A 1 289 THR 289 279 279 THR THR A . n A 1 290 LYS 290 280 280 LYS LYS A . n A 1 291 CYS 291 281 281 CYS CYS A . n A 1 292 GLN 292 282 282 GLN GLN A . n A 1 293 THR 293 283 283 THR THR A . n A 1 294 PRO 294 284 284 PRO PRO A . n A 1 295 MET 295 285 285 MET MET A . n A 1 296 GLY 296 286 286 GLY GLY A . n A 1 297 ALA 297 287 287 ALA ALA A . n A 1 298 ILE 298 288 288 ILE ILE A . n A 1 299 ASN 299 289 289 ASN ASN A . n A 1 300 SER 300 290 290 SER SER A . n A 1 301 SER 301 291 291 SER SER A . n A 1 302 MET 302 292 292 MET MET A . n A 1 303 PRO 303 293 293 PRO PRO A . n A 1 304 PHE 304 294 294 PHE PHE A . n A 1 305 HIS 305 295 295 HIS HIS A . n A 1 306 ASN 306 296 296 ASN ASN A . n A 1 307 ILE 307 297 297 ILE ILE A . n A 1 308 HIS 308 298 298 HIS HIS A . n A 1 309 PRO 309 299 299 PRO PRO A . n A 1 310 LEU 310 300 300 LEU LEU A . n A 1 311 THR 311 301 301 THR THR A . n A 1 312 ILE 312 302 302 ILE ILE A . n A 1 313 GLY 313 303 303 GLY GLY A . n A 1 314 GLU 314 304 304 GLU GLU A . n A 1 315 CYS 315 305 305 CYS CYS A . n A 1 316 PRO 316 306 306 PRO PRO A . n A 1 317 LYS 317 307 307 LYS LYS A . n A 1 318 TYR 318 308 308 TYR TYR A . n A 1 319 VAL 319 309 309 VAL VAL A . n A 1 320 LYS 320 310 310 LYS LYS A . n A 1 321 SER 321 311 311 SER SER A . n A 1 322 ASN 322 312 312 ASN ASN A . n A 1 323 ARG 323 313 313 ARG ARG A . n A 1 324 LEU 324 314 314 LEU LEU A . n A 1 325 VAL 325 315 315 VAL VAL A . n A 1 326 LEU 326 316 316 LEU LEU A . n A 1 327 ALA 327 317 317 ALA ALA A . n A 1 328 THR 328 318 318 THR THR A . n A 1 329 GLY 329 319 319 GLY GLY A . n A 1 330 LEU 330 320 320 LEU LEU A . n A 1 331 ARG 331 321 321 ARG ARG A . n A 1 332 ASN 332 322 322 ASN ASN A . n A 1 333 THR 333 323 323 THR THR A . n A 1 334 PRO 334 324 ? ? ? A . n A 1 335 GLN 335 325 ? ? ? A . n A 1 336 ARG 336 326 ? ? ? A . n B 2 1 GLY 1 1 ? ? ? B . n B 2 2 LEU 2 2 ? ? ? B . n B 2 3 PHE 3 3 ? ? ? B . n B 2 4 GLY 4 4 ? ? ? B . n B 2 5 ALA 5 5 ? ? ? B . n B 2 6 ILE 6 6 ? ? ? B . n B 2 7 ALA 7 7 ? ? ? B . n B 2 8 GLY 8 8 ? ? ? B . n B 2 9 PHE 9 9 ? ? ? B . n B 2 10 ILE 10 10 10 ILE ILE B . n B 2 11 GLU 11 11 11 GLU GLU B . n B 2 12 GLY 12 12 12 GLY GLY B . n B 2 13 GLY 13 13 13 GLY GLY B . n B 2 14 TRP 14 14 14 TRP TRP B . n B 2 15 GLN 15 15 15 GLN GLN B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 MET 17 17 17 MET MET B . n B 2 18 VAL 18 18 18 VAL VAL B . n B 2 19 ASP 19 19 19 ASP ASP B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 TRP 21 21 21 TRP TRP B . n B 2 22 TYR 22 22 22 TYR TYR B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 TYR 24 24 24 TYR TYR B . n B 2 25 HIS 25 25 25 HIS HIS B . n B 2 26 HIS 26 26 26 HIS HIS B . n B 2 27 SER 27 27 27 SER SER B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 GLU 29 29 29 GLU GLU B . n B 2 30 GLN 30 30 30 GLN GLN B . n B 2 31 GLY 31 31 31 GLY GLY B . n B 2 32 SER 32 32 32 SER SER B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 TYR 34 34 34 TYR TYR B . n B 2 35 ALA 35 35 35 ALA ALA B . n B 2 36 ALA 36 36 36 ALA ALA B . n B 2 37 ASP 37 37 37 ASP ASP B . n B 2 38 LYS 38 38 38 LYS LYS B . n B 2 39 GLU 39 39 39 GLU GLU B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 THR 41 41 41 THR THR B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 LYS 43 43 43 LYS LYS B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 ILE 45 45 45 ILE ILE B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 GLY 47 47 47 GLY GLY B . n B 2 48 VAL 48 48 48 VAL VAL B . n B 2 49 THR 49 49 49 THR THR B . n B 2 50 ASN 50 50 50 ASN ASN B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 VAL 52 52 52 VAL VAL B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 SER 54 54 54 SER SER B . n B 2 55 ILE 55 55 55 ILE ILE B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 ASP 57 57 57 ASP ASP B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 MET 59 59 59 MET MET B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 THR 61 61 61 THR THR B . n B 2 62 GLN 62 62 62 GLN GLN B . n B 2 63 PHE 63 63 63 PHE PHE B . n B 2 64 GLU 64 64 64 GLU GLU B . n B 2 65 ALA 65 65 65 ALA ALA B . n B 2 66 VAL 66 66 66 VAL VAL B . n B 2 67 GLY 67 67 67 GLY GLY B . n B 2 68 ARG 68 68 68 ARG ARG B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 ASN 71 71 71 ASN ASN B . n B 2 72 ASN 72 72 72 ASN ASN B . n B 2 73 LEU 73 73 73 LEU LEU B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 ARG 75 75 75 ARG ARG B . n B 2 76 ARG 76 76 76 ARG ARG B . n B 2 77 ILE 77 77 77 ILE ILE B . n B 2 78 GLU 78 78 78 GLU GLU B . n B 2 79 ASN 79 79 79 ASN ASN B . n B 2 80 LEU 80 80 80 LEU LEU B . n B 2 81 ASN 81 81 81 ASN ASN B . n B 2 82 LYS 82 82 82 LYS LYS B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 MET 84 84 84 MET MET B . n B 2 85 GLU 85 85 85 GLU GLU B . n B 2 86 ASP 86 86 86 ASP ASP B . n B 2 87 GLY 87 87 87 GLY GLY B . n B 2 88 PHE 88 88 88 PHE PHE B . n B 2 89 LEU 89 89 89 LEU LEU B . n B 2 90 ASP 90 90 90 ASP ASP B . n B 2 91 VAL 91 91 91 VAL VAL B . n B 2 92 TRP 92 92 92 TRP TRP B . n B 2 93 THR 93 93 93 THR THR B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 ASN 95 95 95 ASN ASN B . n B 2 96 ALA 96 96 96 ALA ALA B . n B 2 97 GLU 97 97 97 GLU GLU B . n B 2 98 LEU 98 98 98 LEU LEU B . n B 2 99 LEU 99 99 99 LEU LEU B . n B 2 100 VAL 100 100 100 VAL VAL B . n B 2 101 LEU 101 101 101 LEU LEU B . n B 2 102 MET 102 102 102 MET MET B . n B 2 103 GLU 103 103 103 GLU GLU B . n B 2 104 ASN 104 104 104 ASN ASN B . n B 2 105 GLU 105 105 105 GLU GLU B . n B 2 106 ARG 106 106 106 ARG ARG B . n B 2 107 THR 107 107 107 THR THR B . n B 2 108 LEU 108 108 108 LEU LEU B . n B 2 109 ASP 109 109 109 ASP ASP B . n B 2 110 PHE 110 110 110 PHE PHE B . n B 2 111 HIS 111 111 111 HIS HIS B . n B 2 112 ASP 112 112 112 ASP ASP B . n B 2 113 SER 113 113 113 SER SER B . n B 2 114 ASN 114 114 114 ASN ASN B . n B 2 115 VAL 115 115 115 VAL VAL B . n B 2 116 LYS 116 116 116 LYS LYS B . n B 2 117 ASN 117 117 117 ASN ASN B . n B 2 118 LEU 118 118 118 LEU LEU B . n B 2 119 TYR 119 119 119 TYR TYR B . n B 2 120 ASP 120 120 120 ASP ASP B . n B 2 121 LYS 121 121 121 LYS LYS B . n B 2 122 VAL 122 122 122 VAL VAL B . n B 2 123 ARG 123 123 123 ARG ARG B . n B 2 124 LEU 124 124 124 LEU LEU B . n B 2 125 GLN 125 125 125 GLN GLN B . n B 2 126 LEU 126 126 126 LEU LEU B . n B 2 127 ARG 127 127 127 ARG ARG B . n B 2 128 ASP 128 128 128 ASP ASP B . n B 2 129 ASN 129 129 129 ASN ASN B . n B 2 130 ALA 130 130 130 ALA ALA B . n B 2 131 LYS 131 131 131 LYS LYS B . n B 2 132 GLU 132 132 132 GLU GLU B . n B 2 133 LEU 133 133 133 LEU LEU B . n B 2 134 GLY 134 134 134 GLY GLY B . n B 2 135 ASN 135 135 135 ASN ASN B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 CYS 137 137 137 CYS CYS B . n B 2 138 PHE 138 138 138 PHE PHE B . n B 2 139 GLU 139 139 139 GLU GLU B . n B 2 140 PHE 140 140 140 PHE PHE B . n B 2 141 TYR 141 141 141 TYR TYR B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 LYS 143 143 143 LYS LYS B . n B 2 144 CYS 144 144 144 CYS CYS B . n B 2 145 ASP 145 145 145 ASP ASP B . n B 2 146 ASN 146 146 146 ASN ASN B . n B 2 147 GLU 147 147 147 GLU GLU B . n B 2 148 CYS 148 148 148 CYS CYS B . n B 2 149 MET 149 149 149 MET MET B . n B 2 150 GLU 150 150 150 GLU GLU B . n B 2 151 SER 151 151 151 SER SER B . n B 2 152 VAL 152 152 152 VAL VAL B . n B 2 153 LYS 153 153 153 LYS LYS B . n B 2 154 ASN 154 154 154 ASN ASN B . n B 2 155 GLY 155 155 155 GLY GLY B . n B 2 156 THR 156 156 156 THR THR B . n B 2 157 TYR 157 157 157 TYR TYR B . n B 2 158 ASP 158 158 158 ASP ASP B . n B 2 159 TYR 159 159 159 TYR TYR B . n B 2 160 PRO 160 160 160 PRO PRO B . n B 2 161 GLN 161 161 161 GLN GLN B . n B 2 162 TYR 162 162 162 TYR TYR B . n B 2 163 SER 163 163 163 SER SER B . n B 2 164 GLU 164 164 164 GLU GLU B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 ALA 166 166 166 ALA ALA B . n B 2 167 ARG 167 167 167 ARG ARG B . n B 2 168 LEU 168 168 ? ? ? B . n B 2 169 ASN 169 169 ? ? ? B . n B 2 170 ARG 170 170 ? ? ? B . n B 2 171 GLU 171 171 ? ? ? B . n B 2 172 GLU 172 172 ? ? ? B . n B 2 173 ILE 173 173 ? ? ? B . n B 2 174 SER 174 174 ? ? ? B . n B 2 175 GLY 175 175 ? ? ? B . n B 2 176 VAL 176 176 ? ? ? B . n B 2 177 ARG 177 177 ? ? ? B . n B 2 178 SER 178 178 ? ? ? B . n B 2 179 LEU 179 179 ? ? ? B . n B 2 180 VAL 180 180 ? ? ? B . n B 2 181 PRO 181 181 ? ? ? B . n B 2 182 ARG 182 182 ? ? ? B . 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 ASN 36 A ASN 34 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 178 A ASN 169 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 32930 ? 1 MORE -219 ? 1 'SSA (A^2)' 60090 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -56.2760000000 0.8660254038 -0.5000000000 0.0000000000 97.4728912467 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -112.5520000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-12-14 2 'Structure model' 1 1 2012-03-28 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # _pdbx_phasing_MR.entry_id 3S12 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor 40.610 _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 3.100 _pdbx_phasing_MR.d_res_low_rotation 48.740 _pdbx_phasing_MR.d_res_high_translation 3.100 _pdbx_phasing_MR.d_res_low_translation 48.740 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALEPACK . ? program 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 2 PHASER 2.1.4 'Wed Oct 28 14:30:30 2009' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 6 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 MET A 31 ? ? -134.45 -39.99 2 1 ASP A 63 ? ? -144.03 24.86 3 1 ASP A 96 ? ? -120.95 -90.85 4 1 CYS A 139 ? ? -118.87 65.77 5 1 SER A 146 ? ? -139.40 -158.26 6 1 PHE A 148 ? ? -37.19 125.16 7 1 GLN A 196 ? ? 67.38 -58.98 8 1 THR A 206 ? ? -119.69 -157.27 9 1 ASN A 240 ? ? 80.64 -7.80 10 1 ASN A 250 ? ? 58.00 10.73 11 1 LYS A 263 ? ? -109.22 -88.19 12 1 SER A 265 ? ? -162.49 -161.51 13 1 LEU A 272 ? ? -68.96 -179.97 14 1 LYS A 310 ? ? -86.58 35.52 15 1 ASN A 322 ? ? -105.19 -168.90 16 1 ASN B 28 ? ? -110.96 -154.92 17 1 ARG B 127 ? ? 52.65 -128.99 18 1 PRO B 160 ? ? -65.54 29.30 19 1 GLN B 161 ? ? -127.86 -61.01 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A GLU 10 ? CB ? A GLU 13 CB 2 1 Y 1 A GLU 10 ? CG ? A GLU 13 CG 3 1 Y 1 A GLU 10 ? CD ? A GLU 13 CD 4 1 Y 1 A GLU 10 ? OE1 ? A GLU 13 OE1 5 1 Y 1 A GLU 10 ? OE2 ? A GLU 13 OE2 6 1 Y 1 B GLN 161 ? CG ? B GLN 161 CG 7 1 Y 1 B GLN 161 ? CD ? B GLN 161 CD 8 1 Y 1 B GLN 161 ? OE1 ? B GLN 161 OE1 9 1 Y 1 B GLN 161 ? NE2 ? B GLN 161 NE2 # 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 ASP -2 ? A ASP 1 2 1 Y 1 A LEU -1 ? A LEU 2 3 1 Y 1 A GLY 0 ? A GLY 3 4 1 Y 1 A SER 1 ? A SER 4 5 1 Y 1 A MET 2 ? A MET 5 6 1 Y 1 A ALA 3 ? A ALA 6 7 1 Y 1 A ASP 4 ? A ASP 7 8 1 Y 1 A PRO 5 ? A PRO 8 9 1 Y 1 A GLY 6 ? A GLY 9 10 1 Y 1 A TYR 7 ? A TYR 10 11 1 Y 1 A LEU 8 ? A LEU 11 12 1 Y 1 A LEU 9 ? A LEU 12 13 1 Y 1 A GLU 78 ? A GLU 82 14 1 Y 1 A PHE 79 ? A PHE 83 15 1 Y 1 A ILE 80 ? A ILE 84 16 1 Y 1 A PRO 324 ? A PRO 334 17 1 Y 1 A GLN 325 ? A GLN 335 18 1 Y 1 A ARG 326 ? A ARG 336 19 1 Y 1 B GLY 1 ? B GLY 1 20 1 Y 1 B LEU 2 ? B LEU 2 21 1 Y 1 B PHE 3 ? B PHE 3 22 1 Y 1 B GLY 4 ? B GLY 4 23 1 Y 1 B ALA 5 ? B ALA 5 24 1 Y 1 B ILE 6 ? B ILE 6 25 1 Y 1 B ALA 7 ? B ALA 7 26 1 Y 1 B GLY 8 ? B GLY 8 27 1 Y 1 B PHE 9 ? B PHE 9 28 1 Y 1 B LEU 168 ? B LEU 168 29 1 Y 1 B ASN 169 ? B ASN 169 30 1 Y 1 B ARG 170 ? B ARG 170 31 1 Y 1 B GLU 171 ? B GLU 171 32 1 Y 1 B GLU 172 ? B GLU 172 33 1 Y 1 B ILE 173 ? B ILE 173 34 1 Y 1 B SER 174 ? B SER 174 35 1 Y 1 B GLY 175 ? B GLY 175 36 1 Y 1 B VAL 176 ? B VAL 176 37 1 Y 1 B ARG 177 ? B ARG 177 38 1 Y 1 B SER 178 ? B SER 178 39 1 Y 1 B LEU 179 ? B LEU 179 40 1 Y 1 B VAL 180 ? B VAL 180 41 1 Y 1 B PRO 181 ? B PRO 181 42 1 Y 1 B ARG 182 ? B ARG 182 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'SULFATE ION' SO4 4 N-ACETYL-D-GLUCOSAMINE NAG 5 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 C 3 SO4 1 327 1 SO4 SO4 A . D 3 SO4 1 328 2 SO4 SO4 A . E 4 NAG 1 329 1 NAG NAG A . F 4 NAG 1 330 2 NAG NAG A . G 4 NAG 2 331 3 NAG NAG A . H 5 HOH 1 332 1 HOH HOH A . H 5 HOH 2 333 2 HOH HOH A . H 5 HOH 3 334 3 HOH HOH A . H 5 HOH 4 335 4 HOH HOH A . H 5 HOH 5 336 5 HOH HOH A . H 5 HOH 6 337 6 HOH HOH A . H 5 HOH 7 338 7 HOH HOH A . H 5 HOH 8 339 8 HOH HOH A . H 5 HOH 9 340 9 HOH HOH A . H 5 HOH 10 341 10 HOH HOH A . H 5 HOH 11 342 11 HOH HOH A . H 5 HOH 12 343 12 HOH HOH A . I 5 HOH 1 183 13 HOH HOH B . I 5 HOH 2 184 14 HOH HOH B . I 5 HOH 3 185 15 HOH HOH B . I 5 HOH 4 186 16 HOH HOH B . #