data_5E4K # _entry.id 5E4K # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5E4K WWPDB D_1000214321 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5E4L _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5E4K _pdbx_database_status.recvd_initial_deposition_date 2015-10-06 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yuan, C.' 1 'Huang, M.' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Biochem.J. _citation.journal_id_ASTM BIJOAK _citation.journal_id_CSD 0043 _citation.journal_id_ISSN 1470-8728 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 473 _citation.language ? _citation.page_first 2359 _citation.page_last 2368 _citation.title 'Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1042/BCJ20160276 _citation.pdbx_database_id_PubMed 27247422 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yuan, C.' 1 primary 'Jurgensen, H.J.' 2 primary 'Engelholm, L.H.' 3 primary 'Li, R.' 4 primary 'Liu, M.' 5 primary 'Jiang, L.' 6 primary 'Luo, Z.' 7 primary 'Behrendt, N.' 8 primary 'Huang, M.' 9 # _cell.entry_id 5E4K _cell.length_a 74.940 _cell.length_b 74.940 _cell.length_c 224.570 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5E4K _symmetry.space_group_name_H-M 'P 41 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 92 # 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 'C-type mannose receptor 2' 55881.840 1 ? ? 'ligand binding region, UNP residues 31-510' ? 2 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 3 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 5 non-polymer syn 'PENTAETHYLENE GLYCOL' 238.278 1 ? ? ? ? 6 non-polymer syn 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL 398.489 1 ? ? ? ? 7 water nat water 18.015 26 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name uPARAP # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;RSGAPGDAALPEPNIFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLG MYECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCT IPFKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQ QGADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQN RDCSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEF ITKQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAG QLTRTGHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;RSGAPGDAALPEPNIFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLG MYECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCT IPFKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQ QGADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQN RDCSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEF ITKQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAG QLTRTGHHHHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 SER n 1 3 GLY n 1 4 ALA n 1 5 PRO n 1 6 GLY n 1 7 ASP n 1 8 ALA n 1 9 ALA n 1 10 LEU n 1 11 PRO n 1 12 GLU n 1 13 PRO n 1 14 ASN n 1 15 ILE n 1 16 PHE n 1 17 LEU n 1 18 ILE n 1 19 PHE n 1 20 SER n 1 21 HIS n 1 22 GLY n 1 23 LEU n 1 24 GLN n 1 25 GLY n 1 26 CYS n 1 27 LEU n 1 28 GLU n 1 29 ALA n 1 30 GLN n 1 31 GLY n 1 32 GLY n 1 33 GLN n 1 34 VAL n 1 35 ARG n 1 36 VAL n 1 37 THR n 1 38 PRO n 1 39 ALA n 1 40 CYS n 1 41 ASN n 1 42 THR n 1 43 SER n 1 44 LEU n 1 45 PRO n 1 46 ALA n 1 47 GLN n 1 48 ARG n 1 49 TRP n 1 50 LYS n 1 51 TRP n 1 52 VAL n 1 53 SER n 1 54 ARG n 1 55 ASN n 1 56 ARG n 1 57 LEU n 1 58 PHE n 1 59 ASN n 1 60 LEU n 1 61 GLY n 1 62 THR n 1 63 MET n 1 64 GLN n 1 65 CYS n 1 66 LEU n 1 67 GLY n 1 68 THR n 1 69 GLY n 1 70 TRP n 1 71 PRO n 1 72 GLY n 1 73 THR n 1 74 ASN n 1 75 THR n 1 76 THR n 1 77 ALA n 1 78 SER n 1 79 LEU n 1 80 GLY n 1 81 MET n 1 82 TYR n 1 83 GLU n 1 84 CYS n 1 85 ASP n 1 86 ARG n 1 87 GLU n 1 88 ALA n 1 89 LEU n 1 90 ASN n 1 91 LEU n 1 92 ARG n 1 93 TRP n 1 94 HIS n 1 95 CYS n 1 96 ARG n 1 97 THR n 1 98 LEU n 1 99 GLY n 1 100 ASP n 1 101 GLN n 1 102 LEU n 1 103 SER n 1 104 LEU n 1 105 LEU n 1 106 LEU n 1 107 GLY n 1 108 ALA n 1 109 ARG n 1 110 THR n 1 111 SER n 1 112 ASN n 1 113 ILE n 1 114 SER n 1 115 LYS n 1 116 PRO n 1 117 GLY n 1 118 THR n 1 119 LEU n 1 120 GLU n 1 121 ARG n 1 122 GLY n 1 123 ASP n 1 124 GLN n 1 125 THR n 1 126 ARG n 1 127 SER n 1 128 GLY n 1 129 GLN n 1 130 TRP n 1 131 ARG n 1 132 ILE n 1 133 TYR n 1 134 GLY n 1 135 SER n 1 136 GLU n 1 137 GLU n 1 138 ASP n 1 139 LEU n 1 140 CYS n 1 141 ALA n 1 142 LEU n 1 143 PRO n 1 144 TYR n 1 145 HIS n 1 146 GLU n 1 147 VAL n 1 148 TYR n 1 149 THR n 1 150 ILE n 1 151 GLN n 1 152 GLY n 1 153 ASN n 1 154 SER n 1 155 HIS n 1 156 GLY n 1 157 LYS n 1 158 PRO n 1 159 CYS n 1 160 THR n 1 161 ILE n 1 162 PRO n 1 163 PHE n 1 164 LYS n 1 165 TYR n 1 166 ASP n 1 167 ASN n 1 168 GLN n 1 169 TRP n 1 170 PHE n 1 171 HIS n 1 172 GLY n 1 173 CYS n 1 174 THR n 1 175 SER n 1 176 THR n 1 177 GLY n 1 178 ARG n 1 179 GLU n 1 180 ASP n 1 181 GLY n 1 182 HIS n 1 183 LEU n 1 184 TRP n 1 185 CYS n 1 186 ALA n 1 187 THR n 1 188 THR n 1 189 GLN n 1 190 ASP n 1 191 TYR n 1 192 GLY n 1 193 LYS n 1 194 ASP n 1 195 GLU n 1 196 ARG n 1 197 TRP n 1 198 GLY n 1 199 PHE n 1 200 CYS n 1 201 PRO n 1 202 ILE n 1 203 LYS n 1 204 SER n 1 205 ASN n 1 206 ASP n 1 207 CYS n 1 208 GLU n 1 209 THR n 1 210 PHE n 1 211 TRP n 1 212 ASP n 1 213 LYS n 1 214 ASP n 1 215 GLN n 1 216 LEU n 1 217 THR n 1 218 ASP n 1 219 SER n 1 220 CYS n 1 221 TYR n 1 222 GLN n 1 223 PHE n 1 224 ASN n 1 225 PHE n 1 226 GLN n 1 227 SER n 1 228 THR n 1 229 LEU n 1 230 SER n 1 231 TRP n 1 232 ARG n 1 233 GLU n 1 234 ALA n 1 235 TRP n 1 236 ALA n 1 237 SER n 1 238 CYS n 1 239 GLU n 1 240 GLN n 1 241 GLN n 1 242 GLY n 1 243 ALA n 1 244 ASP n 1 245 LEU n 1 246 LEU n 1 247 SER n 1 248 ILE n 1 249 THR n 1 250 GLU n 1 251 ILE n 1 252 HIS n 1 253 GLU n 1 254 GLN n 1 255 THR n 1 256 TYR n 1 257 ILE n 1 258 ASN n 1 259 GLY n 1 260 LEU n 1 261 LEU n 1 262 THR n 1 263 GLY n 1 264 TYR n 1 265 SER n 1 266 SER n 1 267 THR n 1 268 LEU n 1 269 TRP n 1 270 ILE n 1 271 GLY n 1 272 LEU n 1 273 ASN n 1 274 ASP n 1 275 LEU n 1 276 ASP n 1 277 THR n 1 278 SER n 1 279 GLY n 1 280 GLY n 1 281 TRP n 1 282 GLN n 1 283 TRP n 1 284 SER n 1 285 ASP n 1 286 ASN n 1 287 SER n 1 288 PRO n 1 289 LEU n 1 290 LYS n 1 291 TYR n 1 292 LEU n 1 293 ASN n 1 294 TRP n 1 295 GLU n 1 296 SER n 1 297 ASP n 1 298 GLN n 1 299 PRO n 1 300 ASP n 1 301 ASN n 1 302 PRO n 1 303 SER n 1 304 GLU n 1 305 GLU n 1 306 ASN n 1 307 CYS n 1 308 GLY n 1 309 VAL n 1 310 ILE n 1 311 ARG n 1 312 THR n 1 313 GLU n 1 314 SER n 1 315 SER n 1 316 GLY n 1 317 GLY n 1 318 TRP n 1 319 GLN n 1 320 ASN n 1 321 ARG n 1 322 ASP n 1 323 CYS n 1 324 SER n 1 325 ILE n 1 326 ALA n 1 327 LEU n 1 328 PRO n 1 329 TYR n 1 330 VAL n 1 331 CYS n 1 332 LYS n 1 333 LYS n 1 334 LYS n 1 335 PRO n 1 336 ASN n 1 337 ALA n 1 338 THR n 1 339 ALA n 1 340 GLU n 1 341 PRO n 1 342 THR n 1 343 PRO n 1 344 PRO n 1 345 ASP n 1 346 ARG n 1 347 TRP n 1 348 ALA n 1 349 ASN n 1 350 VAL n 1 351 LYS n 1 352 VAL n 1 353 GLU n 1 354 CYS n 1 355 GLU n 1 356 PRO n 1 357 SER n 1 358 TRP n 1 359 GLN n 1 360 PRO n 1 361 PHE n 1 362 GLN n 1 363 GLY n 1 364 HIS n 1 365 CYS n 1 366 TYR n 1 367 ARG n 1 368 LEU n 1 369 GLN n 1 370 ALA n 1 371 GLU n 1 372 LYS n 1 373 ARG n 1 374 SER n 1 375 TRP n 1 376 GLN n 1 377 GLU n 1 378 SER n 1 379 LYS n 1 380 LYS n 1 381 ALA n 1 382 CYS n 1 383 LEU n 1 384 ARG n 1 385 GLY n 1 386 GLY n 1 387 GLY n 1 388 ASP n 1 389 LEU n 1 390 VAL n 1 391 SER n 1 392 ILE n 1 393 HIS n 1 394 SER n 1 395 MET n 1 396 ALA n 1 397 GLU n 1 398 LEU n 1 399 GLU n 1 400 PHE n 1 401 ILE n 1 402 THR n 1 403 LYS n 1 404 GLN n 1 405 ILE n 1 406 LYS n 1 407 GLN n 1 408 GLU n 1 409 VAL n 1 410 GLU n 1 411 GLU n 1 412 LEU n 1 413 TRP n 1 414 ILE n 1 415 GLY n 1 416 LEU n 1 417 ASN n 1 418 ASP n 1 419 LEU n 1 420 LYS n 1 421 LEU n 1 422 GLN n 1 423 MET n 1 424 ASN n 1 425 PHE n 1 426 GLU n 1 427 TRP n 1 428 SER n 1 429 ASP n 1 430 GLY n 1 431 SER n 1 432 LEU n 1 433 VAL n 1 434 SER n 1 435 PHE n 1 436 THR n 1 437 HIS n 1 438 TRP n 1 439 HIS n 1 440 PRO n 1 441 PHE n 1 442 GLU n 1 443 PRO n 1 444 ASN n 1 445 ASN n 1 446 PHE n 1 447 ARG n 1 448 ASP n 1 449 SER n 1 450 LEU n 1 451 GLU n 1 452 ASP n 1 453 CYS n 1 454 VAL n 1 455 THR n 1 456 ILE n 1 457 TRP n 1 458 GLY n 1 459 PRO n 1 460 GLU n 1 461 GLY n 1 462 ARG n 1 463 TRP n 1 464 ASN n 1 465 ASP n 1 466 SER n 1 467 PRO n 1 468 CYS n 1 469 ASN n 1 470 GLN n 1 471 SER n 1 472 LEU n 1 473 PRO n 1 474 SER n 1 475 ILE n 1 476 CYS n 1 477 LYS n 1 478 LYS n 1 479 ALA n 1 480 GLY n 1 481 GLN n 1 482 LEU n 1 483 THR n 1 484 ARG n 1 485 THR n 1 486 GLY n 1 487 HIS n 1 488 HIS n 1 489 HIS n 1 490 HIS n 1 491 HIS n 1 492 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 492 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'MRC2, CLEC13E, ENDO180, KIAA0709, UPARAP' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'fruit fly' _entity_src_gen.pdbx_host_org_scientific_name 'Drosophila melanogaster' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7227 _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 'S2 Cells' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PMT/BIP _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code MRC2_HUMAN _struct_ref.pdbx_db_accession Q9UBG0 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GAPGDAALPEPNVFLIFSHGLQGCLEAQGGQVRVTPACNTSLPAQRWKWVSRNRLFNLGTMQCLGTGWPGTNTTASLGMY ECDREALNLRWHCRTLGDQLSLLLGARTSNISKPGTLERGDQTRSGQWRIYGSEEDLCALPYHEVYTIQGNSHGKPCTIP FKYDNQWFHGCTSTGREDGHLWCATTQDYGKDERWGFCPIKSNDCETFWDKDQLTDSCYQFNFQSTLSWREAWASCEQQG ADLLSITEIHEQTYINGLLTGYSSTLWIGLNDLDTSGGWQWSDNSPLKYLNWESDQPDNPSEENCGVIRTESSGGWQNRD CSIALPYVCKKKPNATAEPTPPDRWANVKVECEPSWQPFQGHCYRLQAEKRSWQESKKACLRGGGDLVSIHSMAELEFIT KQIKQEVEELWIGLNDLKLQMNFEWSDGSLVSFTHWHPFEPNNFRDSLEDCVTIWGPEGRWNDSPCNQSLPSICKKAGQL ; _struct_ref.pdbx_align_begin 31 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5E4K _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 3 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 482 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q9UBG0 _struct_ref_seq.db_align_beg 31 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 510 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 31 _struct_ref_seq.pdbx_auth_seq_align_end 510 # 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 5E4K ARG A 1 ? UNP Q9UBG0 ? ? 'expression tag' 29 1 1 5E4K SER A 2 ? UNP Q9UBG0 ? ? 'expression tag' 30 2 1 5E4K ILE A 15 ? UNP Q9UBG0 VAL 43 variant 43 3 1 5E4K THR A 483 ? UNP Q9UBG0 ? ? 'expression tag' 511 4 1 5E4K ARG A 484 ? UNP Q9UBG0 ? ? 'expression tag' 512 5 1 5E4K THR A 485 ? UNP Q9UBG0 ? ? 'expression tag' 513 6 1 5E4K GLY A 486 ? UNP Q9UBG0 ? ? 'expression tag' 514 7 1 5E4K HIS A 487 ? UNP Q9UBG0 ? ? 'expression tag' 515 8 1 5E4K HIS A 488 ? UNP Q9UBG0 ? ? 'expression tag' 516 9 1 5E4K HIS A 489 ? UNP Q9UBG0 ? ? 'expression tag' 517 10 1 5E4K HIS A 490 ? UNP Q9UBG0 ? ? 'expression tag' 518 11 1 5E4K HIS A 491 ? UNP Q9UBG0 ? ? 'expression tag' 519 12 1 5E4K HIS A 492 ? UNP Q9UBG0 ? ? 'expression tag' 520 13 # 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 1PE non-polymer . 'PENTAETHYLENE GLYCOL' PEG400 'C10 H22 O6' 238.278 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 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 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PE5 non-polymer . 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL '2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, POLYETHYLENE GLYCOL PEG400' 'C18 H38 O9' 398.489 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5E4K _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.82 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 56.41 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 7.4 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '5-7% PEG 3350, 1 mM CaCl2, 100 mM HEPES' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-12-20 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.979 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.979 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5E4K _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.58 _reflns.d_resolution_low 37.47 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 20523 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 98.5 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 7.0 _reflns.pdbx_Rmerge_I_obs 0.088 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.102 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 13.0 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.58 _reflns_shell.d_res_low 2.65 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.6 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.1 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.691 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.5 _reflns_shell.pdbx_Rsym_value 0.812 _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5E4K _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 20523 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.36 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 37.470 _refine.ls_d_res_high 2.580 _refine.ls_percent_reflns_obs 97.62 _refine.ls_R_factor_obs 0.2165 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2144 _refine.ls_R_factor_R_free 0.2568 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.96 _refine.ls_number_reflns_R_free 1017 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.details ? _refine.pdbx_starting_model 5E4L _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.39 _refine.pdbx_overall_phase_error 28.63 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3335 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 74 _refine_hist.number_atoms_solvent 26 _refine_hist.number_atoms_total 3435 _refine_hist.d_res_high 2.580 _refine_hist.d_res_low 37.470 # 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 f_bond_d 0.009 ? ? 3514 'X-RAY DIFFRACTION' ? f_angle_d 1.547 ? ? 4783 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 12.657 ? ? 2757 'X-RAY DIFFRACTION' ? f_chiral_restr 0.071 ? ? 495 'X-RAY DIFFRACTION' ? f_plane_restr 0.010 ? ? 613 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.5801 2.7161 2739 0.3163 99.00 0.3976 . . 138 . . . . 'X-RAY DIFFRACTION' . 2.7161 2.8862 2761 0.2806 99.00 0.3528 . . 158 . . . . 'X-RAY DIFFRACTION' . 2.8862 3.1089 2746 0.2761 98.00 0.3211 . . 148 . . . . 'X-RAY DIFFRACTION' . 3.1089 3.4216 2785 0.2390 98.00 0.2999 . . 123 . . . . 'X-RAY DIFFRACTION' . 3.4216 3.9163 2741 0.2164 97.00 0.3053 . . 158 . . . . 'X-RAY DIFFRACTION' . 3.9163 4.9323 2806 0.1790 97.00 0.1986 . . 136 . . . . 'X-RAY DIFFRACTION' . 4.9323 37.4739 2928 0.1968 95.00 0.2162 . . 156 . . . . # _struct.entry_id 5E4K _struct.title 'Structure of ligand binding region of uPARAP at pH 7.4' _struct.pdbx_descriptor 'C-type mannose receptor 2' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5E4K _struct_keywords.text 'endocytic collagen receptor, SUGAR BINDING PROTEIN' _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 5 ? H N N 6 ? I N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LEU A 44 ? ALA A 46 ? LEU A 72 ALA A 74 5 ? 3 HELX_P HELX_P2 AA2 THR A 97 ? LEU A 106 ? THR A 125 LEU A 134 1 ? 10 HELX_P HELX_P3 AA3 ASP A 190 ? GLU A 195 ? ASP A 218 GLU A 223 1 ? 6 HELX_P HELX_P4 AA4 SER A 230 ? GLN A 241 ? SER A 258 GLN A 269 1 ? 12 HELX_P HELX_P5 AA5 GLU A 250 ? THR A 262 ? GLU A 278 THR A 290 1 ? 13 HELX_P HELX_P6 AA6 SER A 374 ? GLY A 385 ? SER A 402 GLY A 413 1 ? 12 HELX_P HELX_P7 AA7 SER A 394 ? ILE A 405 ? SER A 422 ILE A 433 1 ? 12 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 26 SG ? ? ? 1_555 A CYS 40 SG ? ? A CYS 54 A CYS 68 1_555 ? ? ? ? ? ? ? 2.077 ? disulf2 disulf ? ? A CYS 65 SG ? ? ? 1_555 A CYS 84 SG ? ? A CYS 93 A CYS 112 1_555 ? ? ? ? ? ? ? 2.033 ? disulf3 disulf ? ? A CYS 95 SG ? ? ? 1_555 A CYS 140 SG ? ? A CYS 123 A CYS 168 1_555 ? ? ? ? ? ? ? 2.063 ? disulf4 disulf ? ? A CYS 159 SG ? ? ? 1_555 A CYS 185 SG ? ? A CYS 187 A CYS 213 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 201 A CYS 228 1_555 ? ? ? ? ? ? ? 2.037 ? disulf6 disulf ? ? A CYS 207 SG ? ? ? 1_555 A CYS 220 SG ? ? A CYS 235 A CYS 248 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? A CYS 238 SG ? ? ? 1_555 A CYS 331 SG ? ? A CYS 266 A CYS 359 1_555 ? ? ? ? ? ? ? 2.060 ? disulf8 disulf ? ? A CYS 307 SG ? ? ? 1_555 A CYS 323 SG ? ? A CYS 335 A CYS 351 1_555 ? ? ? ? ? ? ? 2.047 ? disulf9 disulf ? ? A CYS 354 SG ? ? ? 1_555 A CYS 365 SG ? ? A CYS 382 A CYS 393 1_555 ? ? ? ? ? ? ? 2.020 ? disulf10 disulf ? ? A CYS 382 SG ? ? ? 1_555 A CYS 476 SG ? ? A CYS 410 A CYS 504 1_555 ? ? ? ? ? ? ? 2.062 ? disulf11 disulf ? ? A CYS 453 SG ? ? ? 1_555 A CYS 468 SG ? ? A CYS 481 A CYS 496 1_555 ? ? ? ? ? ? ? 2.055 ? covale1 covale one ? A ASN 41 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 69 A NAG 604 1_555 ? ? ? ? ? ? ? 1.445 ? metalc1 metalc ? ? A GLN 298 OE1 ? ? ? 1_555 D NA . NA ? ? A GLN 326 A NA 603 1_555 ? ? ? ? ? ? ? 2.968 ? metalc2 metalc ? ? A ASP 300 OD1 ? ? ? 1_555 D NA . NA ? ? A ASP 328 A NA 603 1_555 ? ? ? ? ? ? ? 2.686 ? metalc3 metalc ? ? A GLU 305 OE1 ? ? ? 1_555 D NA . NA ? ? A GLU 333 A NA 603 1_555 ? ? ? ? ? ? ? 3.070 ? metalc4 metalc ? ? A ASN 320 O ? ? ? 1_555 D NA . NA ? ? A ASN 348 A NA 603 1_555 ? ? ? ? ? ? ? 2.811 ? metalc5 metalc ? ? A ASP 418 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 446 A CA 601 1_555 ? ? ? ? ? ? ? 2.856 ? metalc6 metalc ? ? A ASP 418 OD2 ? ? ? 1_555 B CA . CA ? ? A ASP 446 A CA 601 1_555 ? ? ? ? ? ? ? 2.299 ? metalc7 metalc ? ? A GLN 422 OE1 ? ? ? 1_555 B CA . CA ? ? A GLN 450 A CA 601 1_555 ? ? ? ? ? ? ? 2.439 ? metalc8 metalc ? ? A GLU 442 OE1 ? ? ? 1_555 C CA . CA ? ? A GLU 470 A CA 602 1_555 ? ? ? ? ? ? ? 2.312 ? metalc9 metalc ? ? A ASN 444 OD1 ? ? ? 1_555 C CA . CA ? ? A ASN 472 A CA 602 1_555 ? ? ? ? ? ? ? 2.769 ? metalc10 metalc ? ? A ASN 445 OD1 ? ? ? 1_555 B CA . CA ? ? A ASN 473 A CA 601 1_555 ? ? ? ? ? ? ? 2.436 ? metalc11 metalc ? ? A GLU 451 O ? ? ? 1_555 B CA . CA ? ? A GLU 479 A CA 601 1_555 ? ? ? ? ? ? ? 2.319 ? metalc12 metalc ? ? A GLU 451 OE1 ? ? ? 1_555 C CA . CA ? ? A GLU 479 A CA 602 1_555 ? ? ? ? ? ? ? 2.413 ? metalc13 metalc ? ? A ASP 452 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 480 A CA 601 1_555 ? ? ? ? ? ? ? 2.934 ? metalc14 metalc ? ? A ASN 464 OD1 ? ? ? 1_555 C CA . CA ? ? A ASN 492 A CA 602 1_555 ? ? ? ? ? ? ? 2.401 ? metalc15 metalc ? ? A ASP 465 O ? ? ? 1_555 C CA . CA ? ? A ASP 493 A CA 602 1_555 ? ? ? ? ? ? ? 2.558 ? metalc16 metalc ? ? A ASP 465 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 493 A CA 602 1_555 ? ? ? ? ? ? ? 2.280 ? covale2 covale one ? A ASN 469 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 497 A NAG 605 1_555 ? ? ? ? ? ? ? 1.466 ? metalc17 metalc ? ? B CA . CA ? ? ? 1_555 I HOH . O ? ? A CA 601 A HOH 704 1_555 ? ? ? ? ? ? ? 2.219 ? metalc18 metalc ? ? C CA . CA ? ? ? 1_555 I HOH . O ? ? A CA 602 A HOH 708 1_555 ? ? ? ? ? ? ? 3.126 ? metalc19 metalc ? ? C CA . CA ? ? ? 1_555 I HOH . O ? ? A CA 602 A HOH 726 1_555 ? ? ? ? ? ? ? 2.975 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ILE 161 A . ? ILE 189 A PRO 162 A ? PRO 190 A 1 -9.46 2 GLN 298 A . ? GLN 326 A PRO 299 A ? PRO 327 A 1 -2.44 3 GLU 442 A . ? GLU 470 A PRO 443 A ? PRO 471 A 1 -12.06 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 7 ? AA2 ? 4 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 4 ? AA6 ? 3 ? AA7 ? 4 ? AA8 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLN A 33 ? THR A 37 ? GLN A 61 THR A 65 AA1 2 GLY A 25 ? GLN A 30 ? GLY A 53 GLN A 58 AA1 3 PHE A 16 ? SER A 20 ? PHE A 44 SER A 48 AA1 4 ARG A 48 ? VAL A 52 ? ARG A 76 VAL A 80 AA1 5 ARG A 56 ? ASN A 59 ? ARG A 84 ASN A 87 AA1 6 GLN A 64 ? GLY A 67 ? GLN A 92 GLY A 95 AA1 7 GLY A 80 ? TYR A 82 ? GLY A 108 TYR A 110 AA2 1 GLN A 33 ? THR A 37 ? GLN A 61 THR A 65 AA2 2 GLY A 25 ? GLN A 30 ? GLY A 53 GLN A 58 AA2 3 PHE A 16 ? SER A 20 ? PHE A 44 SER A 48 AA2 4 TRP A 130 ? ILE A 132 ? TRP A 158 ILE A 160 AA3 1 PHE A 163 ? TYR A 165 ? PHE A 191 TYR A 193 AA3 2 GLN A 168 ? PHE A 170 ? GLN A 196 PHE A 198 AA4 1 TRP A 184 ? ALA A 186 ? TRP A 212 ALA A 214 AA4 2 TRP A 197 ? PHE A 199 ? TRP A 225 PHE A 227 AA5 1 ASP A 212 ? LYS A 213 ? ASP A 240 LYS A 241 AA5 2 CYS A 220 ? LEU A 229 ? CYS A 248 LEU A 257 AA5 3 LEU A 327 ? LYS A 333 ? LEU A 355 LYS A 361 AA5 4 ASP A 244 ? LEU A 245 ? ASP A 272 LEU A 273 AA6 1 THR A 267 ? ASN A 273 ? THR A 295 ASN A 301 AA6 2 GLU A 305 ? ARG A 311 ? GLU A 333 ARG A 339 AA6 3 GLY A 317 ? ASP A 322 ? GLY A 345 ASP A 350 AA7 1 GLN A 359 ? PHE A 361 ? GLN A 387 PHE A 389 AA7 2 HIS A 364 ? ARG A 373 ? HIS A 392 ARG A 401 AA7 3 LEU A 472 ? LYS A 478 ? LEU A 500 LYS A 506 AA7 4 ASP A 388 ? LEU A 389 ? ASP A 416 LEU A 417 AA8 1 ASN A 424 ? TRP A 427 ? ASN A 452 TRP A 455 AA8 2 GLU A 411 ? LEU A 421 ? GLU A 439 LEU A 449 AA8 3 CYS A 453 ? TRP A 457 ? CYS A 481 TRP A 485 AA8 4 ARG A 462 ? SER A 466 ? ARG A 490 SER A 494 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ARG A 35 ? O ARG A 63 N GLU A 28 ? N GLU A 56 AA1 2 3 O LEU A 27 ? O LEU A 55 N ILE A 18 ? N ILE A 46 AA1 3 4 N PHE A 16 ? N PHE A 44 O TRP A 49 ? O TRP A 77 AA1 4 5 N VAL A 52 ? N VAL A 80 O ARG A 56 ? O ARG A 84 AA1 5 6 N ASN A 59 ? N ASN A 87 O GLN A 64 ? O GLN A 92 AA1 6 7 N CYS A 65 ? N CYS A 93 O TYR A 82 ? O TYR A 110 AA2 1 2 O ARG A 35 ? O ARG A 63 N GLU A 28 ? N GLU A 56 AA2 2 3 O LEU A 27 ? O LEU A 55 N ILE A 18 ? N ILE A 46 AA2 3 4 N PHE A 19 ? N PHE A 47 O ARG A 131 ? O ARG A 159 AA3 1 2 N TYR A 165 ? N TYR A 193 O GLN A 168 ? O GLN A 196 AA4 1 2 N CYS A 185 ? N CYS A 213 O GLY A 198 ? O GLY A 226 AA5 1 2 N ASP A 212 ? N ASP A 240 O TYR A 221 ? O TYR A 249 AA5 2 3 N CYS A 220 ? N CYS A 248 O LYS A 333 ? O LYS A 361 AA5 3 4 O LYS A 332 ? O LYS A 360 N ASP A 244 ? N ASP A 272 AA6 1 2 N LEU A 272 ? N LEU A 300 O GLY A 308 ? O GLY A 336 AA6 2 3 N CYS A 307 ? N CYS A 335 O ARG A 321 ? O ARG A 349 AA7 1 2 N GLN A 359 ? N GLN A 387 O TYR A 366 ? O TYR A 394 AA7 2 3 N GLN A 369 ? N GLN A 397 O SER A 474 ? O SER A 502 AA7 3 4 O LYS A 477 ? O LYS A 505 N ASP A 388 ? N ASP A 416 AA8 1 2 O GLU A 426 ? O GLU A 454 N ASN A 417 ? N ASN A 445 AA8 2 3 N LEU A 416 ? N LEU A 444 O VAL A 454 ? O VAL A 482 AA8 3 4 N THR A 455 ? N THR A 483 O ASN A 464 ? O ASN A 492 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CA 601 ? 6 'binding site for residue CA A 601' AC2 Software A CA 602 ? 6 'binding site for residue CA A 602' AC3 Software A NA 603 ? 4 'binding site for residue NA A 603' AC4 Software A 1PE 606 ? 2 'binding site for residue 1PE A 606' AC5 Software A PE5 607 ? 6 'binding site for residue PE5 A 607' AC6 Software A NAG 604 ? 2 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 69' AC7 Software A NAG 605 ? 1 'binding site for Mono-Saccharide NAG A 605 bound to ASN A 497' # 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 6 ASP A 418 ? ASP A 446 . ? 1_555 ? 2 AC1 6 GLN A 422 ? GLN A 450 . ? 1_555 ? 3 AC1 6 ASN A 445 ? ASN A 473 . ? 1_555 ? 4 AC1 6 GLU A 451 ? GLU A 479 . ? 1_555 ? 5 AC1 6 ASP A 452 ? ASP A 480 . ? 1_555 ? 6 AC1 6 HOH I . ? HOH A 704 . ? 1_555 ? 7 AC2 6 GLU A 442 ? GLU A 470 . ? 1_555 ? 8 AC2 6 ASN A 444 ? ASN A 472 . ? 1_555 ? 9 AC2 6 GLU A 451 ? GLU A 479 . ? 1_555 ? 10 AC2 6 ASN A 464 ? ASN A 492 . ? 1_555 ? 11 AC2 6 ASP A 465 ? ASP A 493 . ? 1_555 ? 12 AC2 6 HOH I . ? HOH A 726 . ? 1_555 ? 13 AC3 4 GLN A 298 ? GLN A 326 . ? 1_555 ? 14 AC3 4 ASP A 300 ? ASP A 328 . ? 1_555 ? 15 AC3 4 GLU A 305 ? GLU A 333 . ? 1_555 ? 16 AC3 4 ASN A 320 ? ASN A 348 . ? 1_555 ? 17 AC4 2 GLU A 313 ? GLU A 341 . ? 1_555 ? 18 AC4 2 SER A 315 ? SER A 343 . ? 1_555 ? 19 AC5 6 GLN A 151 ? GLN A 179 . ? 1_555 ? 20 AC5 6 TYR A 165 ? TYR A 193 . ? 1_555 ? 21 AC5 6 GLY A 177 ? GLY A 205 . ? 1_555 ? 22 AC5 6 ARG A 178 ? ARG A 206 . ? 1_555 ? 23 AC5 6 TYR A 191 ? TYR A 219 . ? 1_555 ? 24 AC5 6 THR A 209 ? THR A 237 . ? 1_555 ? 25 AC6 2 ASN A 41 ? ASN A 69 . ? 1_555 ? 26 AC6 2 LEU A 44 ? LEU A 72 . ? 1_555 ? 27 AC7 1 ASN A 469 ? ASN A 497 . ? 1_555 ? # _atom_sites.entry_id 5E4K _atom_sites.fract_transf_matrix[1][1] 0.013344 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013344 _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] 0.004453 _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 CA N NA 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 . ALA A 1 9 ? -14.685 39.433 -5.976 1.00 100.21 ? 37 ALA A N 1 ATOM 2 C CA . ALA A 1 9 ? -14.221 40.252 -7.083 1.00 109.80 ? 37 ALA A CA 1 ATOM 3 C C . ALA A 1 9 ? -13.111 39.539 -7.855 1.00 127.58 ? 37 ALA A C 1 ATOM 4 O O . ALA A 1 9 ? -13.175 39.399 -9.078 1.00 131.81 ? 37 ALA A O 1 ATOM 5 C CB . ALA A 1 9 ? -13.731 41.617 -6.570 1.00 106.08 ? 37 ALA A CB 1 ATOM 6 N N . LEU A 1 10 ? -12.086 39.100 -7.119 1.00 127.03 ? 38 LEU A N 1 ATOM 7 C CA . LEU A 1 10 ? -10.860 38.505 -7.647 1.00 116.37 ? 38 LEU A CA 1 ATOM 8 C C . LEU A 1 10 ? -10.880 36.991 -7.445 1.00 113.14 ? 38 LEU A C 1 ATOM 9 O O . LEU A 1 10 ? -11.807 36.473 -6.808 1.00 115.09 ? 38 LEU A O 1 ATOM 10 C CB . LEU A 1 10 ? -9.658 39.138 -6.937 1.00 98.14 ? 38 LEU A CB 1 ATOM 11 C CG . LEU A 1 10 ? -9.425 40.637 -7.152 1.00 87.33 ? 38 LEU A CG 1 ATOM 12 C CD1 . LEU A 1 10 ? -8.475 41.220 -6.096 1.00 77.20 ? 38 LEU A CD1 1 ATOM 13 C CD2 . LEU A 1 10 ? -8.889 40.883 -8.551 1.00 79.76 ? 38 LEU A CD2 1 ATOM 14 N N . PRO A 1 11 ? -9.885 36.249 -7.940 1.00 111.51 ? 39 PRO A N 1 ATOM 15 C CA . PRO A 1 11 ? -9.770 34.830 -7.576 1.00 102.79 ? 39 PRO A CA 1 ATOM 16 C C . PRO A 1 11 ? -9.059 34.650 -6.237 1.00 111.09 ? 39 PRO A C 1 ATOM 17 O O . PRO A 1 11 ? -8.536 35.595 -5.644 1.00 125.04 ? 39 PRO A O 1 ATOM 18 C CB . PRO A 1 11 ? -8.945 34.243 -8.722 1.00 101.28 ? 39 PRO A CB 1 ATOM 19 C CG . PRO A 1 11 ? -8.124 35.393 -9.224 1.00 104.58 ? 39 PRO A CG 1 ATOM 20 C CD . PRO A 1 11 ? -8.992 36.608 -9.061 1.00 106.47 ? 39 PRO A CD 1 ATOM 21 N N . GLU A 1 12 ? -9.053 33.402 -5.757 1.00 97.17 ? 40 GLU A N 1 ATOM 22 C CA . GLU A 1 12 ? -8.524 33.077 -4.428 1.00 77.14 ? 40 GLU A CA 1 ATOM 23 C C . GLU A 1 12 ? -7.941 31.665 -4.418 1.00 75.22 ? 40 GLU A C 1 ATOM 24 O O . GLU A 1 12 ? -8.479 30.759 -3.773 1.00 75.43 ? 40 GLU A O 1 ATOM 25 C CB . GLU A 1 12 ? -9.623 33.232 -3.372 1.00 69.10 ? 40 GLU A CB 1 ATOM 26 N N . PRO A 1 13 ? -6.802 31.451 -5.085 1.00 80.33 ? 41 PRO A N 1 ATOM 27 C CA . PRO A 1 13 ? -6.353 30.059 -5.323 1.00 76.18 ? 41 PRO A CA 1 ATOM 28 C C . PRO A 1 13 ? -5.967 29.301 -4.061 1.00 67.44 ? 41 PRO A C 1 ATOM 29 O O . PRO A 1 13 ? -5.967 28.065 -4.068 1.00 67.03 ? 41 PRO A O 1 ATOM 30 C CB . PRO A 1 13 ? -5.129 30.229 -6.234 1.00 74.80 ? 41 PRO A CB 1 ATOM 31 C CG . PRO A 1 13 ? -5.219 31.636 -6.756 1.00 80.15 ? 41 PRO A CG 1 ATOM 32 C CD . PRO A 1 13 ? -5.877 32.433 -5.670 1.00 77.57 ? 41 PRO A CD 1 ATOM 33 N N . ASN A 1 14 ? -5.559 29.990 -3.006 1.00 71.40 ? 42 ASN A N 1 ATOM 34 C CA . ASN A 1 14 ? -5.021 29.327 -1.833 1.00 76.88 ? 42 ASN A CA 1 ATOM 35 C C . ASN A 1 14 ? -6.019 29.188 -0.687 1.00 77.45 ? 42 ASN A C 1 ATOM 36 O O . ASN A 1 14 ? -5.635 28.700 0.383 1.00 85.13 ? 42 ASN A O 1 ATOM 37 C CB . ASN A 1 14 ? -3.769 30.052 -1.353 1.00 83.97 ? 42 ASN A CB 1 ATOM 38 C CG . ASN A 1 14 ? -2.582 29.842 -2.290 1.00 92.69 ? 42 ASN A CG 1 ATOM 39 O OD1 . ASN A 1 14 ? -1.947 28.772 -2.302 1.00 90.56 ? 42 ASN A OD1 1 ATOM 40 N ND2 . ASN A 1 14 ? -2.270 30.873 -3.075 1.00 92.75 ? 42 ASN A ND2 1 ATOM 41 N N . ILE A 1 15 ? -7.284 29.598 -0.857 1.00 66.78 ? 43 ILE A N 1 ATOM 42 C CA . ILE A 1 15 ? -8.234 29.460 0.241 1.00 71.55 ? 43 ILE A CA 1 ATOM 43 C C . ILE A 1 15 ? -8.870 28.075 0.165 1.00 65.75 ? 43 ILE A C 1 ATOM 44 O O . ILE A 1 15 ? -9.083 27.526 -0.914 1.00 74.29 ? 43 ILE A O 1 ATOM 45 C CB . ILE A 1 15 ? -9.289 30.588 0.224 1.00 79.29 ? 43 ILE A CB 1 ATOM 46 C CG1 . ILE A 1 15 ? -10.385 30.316 -0.780 1.00 86.34 ? 43 ILE A CG1 1 ATOM 47 C CG2 . ILE A 1 15 ? -8.644 31.942 -0.123 1.00 75.70 ? 43 ILE A CG2 1 ATOM 48 C CD1 . ILE A 1 15 ? -11.648 29.877 -0.095 1.00 83.90 ? 43 ILE A CD1 1 ATOM 49 N N . PHE A 1 16 ? -9.139 27.485 1.320 1.00 73.35 ? 44 PHE A N 1 ATOM 50 C CA . PHE A 1 16 ? -9.666 26.127 1.385 1.00 64.26 ? 44 PHE A CA 1 ATOM 51 C C . PHE A 1 16 ? -10.633 26.031 2.566 1.00 71.47 ? 44 PHE A C 1 ATOM 52 O O . PHE A 1 16 ? -10.683 26.923 3.422 1.00 70.00 ? 44 PHE A O 1 ATOM 53 C CB . PHE A 1 16 ? -8.518 25.122 1.509 1.00 53.03 ? 44 PHE A CB 1 ATOM 54 C CG . PHE A 1 16 ? -7.574 25.456 2.609 1.00 68.66 ? 44 PHE A CG 1 ATOM 55 C CD1 . PHE A 1 16 ? -7.866 25.117 3.916 1.00 70.31 ? 44 PHE A CD1 1 ATOM 56 C CD2 . PHE A 1 16 ? -6.407 26.159 2.345 1.00 83.69 ? 44 PHE A CD2 1 ATOM 57 C CE1 . PHE A 1 16 ? -7.001 25.456 4.934 1.00 72.11 ? 44 PHE A CE1 1 ATOM 58 C CE2 . PHE A 1 16 ? -5.535 26.494 3.357 1.00 82.21 ? 44 PHE A CE2 1 ATOM 59 C CZ . PHE A 1 16 ? -5.833 26.147 4.660 1.00 74.44 ? 44 PHE A CZ 1 ATOM 60 N N . LEU A 1 17 ? -11.416 24.942 2.599 1.00 67.95 ? 45 LEU A N 1 ATOM 61 C CA . LEU A 1 17 ? -12.240 24.594 3.754 1.00 45.94 ? 45 LEU A CA 1 ATOM 62 C C . LEU A 1 17 ? -11.538 23.493 4.539 1.00 64.03 ? 45 LEU A C 1 ATOM 63 O O . LEU A 1 17 ? -10.756 22.714 3.991 1.00 66.21 ? 45 LEU A O 1 ATOM 64 C CB . LEU A 1 17 ? -13.634 24.151 3.346 1.00 51.24 ? 45 LEU A CB 1 ATOM 65 C CG . LEU A 1 17 ? -14.718 25.199 3.017 1.00 69.01 ? 45 LEU A CG 1 ATOM 66 C CD1 . LEU A 1 17 ? -14.298 26.133 1.867 1.00 71.50 ? 45 LEU A CD1 1 ATOM 67 C CD2 . LEU A 1 17 ? -16.078 24.518 2.658 1.00 59.60 ? 45 LEU A CD2 1 ATOM 68 N N . ILE A 1 18 ? -11.734 23.503 5.847 1.00 78.20 ? 46 ILE A N 1 ATOM 69 C CA . ILE A 1 18 ? -11.048 22.589 6.747 1.00 80.18 ? 46 ILE A CA 1 ATOM 70 C C . ILE A 1 18 ? -12.089 21.612 7.233 1.00 80.30 ? 46 ILE A C 1 ATOM 71 O O . ILE A 1 18 ? -12.961 21.992 8.019 1.00 76.81 ? 46 ILE A O 1 ATOM 72 C CB . ILE A 1 18 ? -10.416 23.317 7.934 1.00 76.45 ? 46 ILE A CB 1 ATOM 73 C CG1 . ILE A 1 18 ? -9.360 24.319 7.454 1.00 73.01 ? 46 ILE A CG1 1 ATOM 74 C CG2 . ILE A 1 18 ? -9.797 22.294 8.866 1.00 75.34 ? 46 ILE A CG2 1 ATOM 75 C CD1 . ILE A 1 18 ? -8.936 25.310 8.531 1.00 61.47 ? 46 ILE A CD1 1 ATOM 76 N N . PHE A 1 19 ? -11.981 20.356 6.810 1.00 79.40 ? 47 PHE A N 1 ATOM 77 C CA . PHE A 1 19 ? -13.061 19.383 6.928 1.00 83.50 ? 47 PHE A CA 1 ATOM 78 C C . PHE A 1 19 ? -12.625 18.203 7.781 1.00 73.41 ? 47 PHE A C 1 ATOM 79 O O . PHE A 1 19 ? -11.593 17.581 7.497 1.00 69.05 ? 47 PHE A O 1 ATOM 80 C CB . PHE A 1 19 ? -13.484 18.890 5.540 1.00 88.70 ? 47 PHE A CB 1 ATOM 81 C CG . PHE A 1 19 ? -14.521 17.807 5.558 1.00 80.08 ? 47 PHE A CG 1 ATOM 82 C CD1 . PHE A 1 19 ? -15.865 18.117 5.692 1.00 84.91 ? 47 PHE A CD1 1 ATOM 83 C CD2 . PHE A 1 19 ? -14.153 16.479 5.424 1.00 72.41 ? 47 PHE A CD2 1 ATOM 84 C CE1 . PHE A 1 19 ? -16.831 17.113 5.694 1.00 84.00 ? 47 PHE A CE1 1 ATOM 85 C CE2 . PHE A 1 19 ? -15.112 15.464 5.421 1.00 75.43 ? 47 PHE A CE2 1 ATOM 86 C CZ . PHE A 1 19 ? -16.448 15.784 5.561 1.00 75.22 ? 47 PHE A CZ 1 ATOM 87 N N . SER A 1 20 ? -13.439 17.870 8.787 1.00 104.67 ? 48 SER A N 1 ATOM 88 C CA . SER A 1 20 ? -13.169 16.754 9.689 1.00 99.53 ? 48 SER A CA 1 ATOM 89 C C . SER A 1 20 ? -13.862 15.490 9.206 1.00 97.42 ? 48 SER A C 1 ATOM 90 O O . SER A 1 20 ? -15.091 15.454 9.101 1.00 90.33 ? 48 SER A O 1 ATOM 91 C CB . SER A 1 20 ? -13.639 17.041 11.111 1.00 95.26 ? 48 SER A CB 1 ATOM 92 O OG . SER A 1 20 ? -13.476 15.873 11.902 1.00 90.24 ? 48 SER A OG 1 ATOM 93 N N . HIS A 1 21 ? -13.070 14.447 8.959 1.00 97.13 ? 49 HIS A N 1 ATOM 94 C CA . HIS A 1 21 ? -13.575 13.102 8.740 1.00 101.60 ? 49 HIS A CA 1 ATOM 95 C C . HIS A 1 21 ? -13.845 12.368 10.053 1.00 108.50 ? 49 HIS A C 1 ATOM 96 O O . HIS A 1 21 ? -14.522 11.331 10.032 1.00 108.46 ? 49 HIS A O 1 ATOM 97 C CB . HIS A 1 21 ? -12.581 12.298 7.876 1.00 109.37 ? 49 HIS A CB 1 ATOM 98 C CG . HIS A 1 21 ? -12.473 12.759 6.444 1.00 108.39 ? 49 HIS A CG 1 ATOM 99 N ND1 . HIS A 1 21 ? -11.734 13.860 6.061 1.00 100.20 ? 49 HIS A ND1 1 ATOM 100 C CD2 . HIS A 1 21 ? -12.965 12.227 5.299 1.00 104.91 ? 49 HIS A CD2 1 ATOM 101 C CE1 . HIS A 1 21 ? -11.802 14.006 4.749 1.00 93.07 ? 49 HIS A CE1 1 ATOM 102 N NE2 . HIS A 1 21 ? -12.543 13.027 4.263 1.00 102.46 ? 49 HIS A NE2 1 ATOM 103 N N . GLY A 1 22 ? -13.334 12.874 11.184 1.00 115.63 ? 50 GLY A N 1 ATOM 104 C CA . GLY A 1 22 ? -13.725 12.391 12.504 1.00 125.00 ? 50 GLY A CA 1 ATOM 105 C C . GLY A 1 22 ? -15.205 12.650 12.698 1.00 125.00 ? 50 GLY A C 1 ATOM 106 O O . GLY A 1 22 ? -15.984 11.746 13.010 1.00 132.57 ? 50 GLY A O 1 ATOM 107 N N . LEU A 1 23 ? -15.587 13.909 12.563 1.00 114.55 ? 51 LEU A N 1 ATOM 108 C CA . LEU A 1 23 ? -16.971 14.322 12.672 1.00 100.95 ? 51 LEU A CA 1 ATOM 109 C C . LEU A 1 23 ? -17.394 14.236 11.215 1.00 104.74 ? 51 LEU A C 1 ATOM 110 O O . LEU A 1 23 ? -16.664 13.662 10.405 1.00 121.15 ? 51 LEU A O 1 ATOM 111 C CB . LEU A 1 23 ? -17.083 15.715 13.276 1.00 102.16 ? 51 LEU A CB 1 ATOM 112 C CG . LEU A 1 23 ? -16.312 15.914 14.589 1.00 107.75 ? 51 LEU A CG 1 ATOM 113 C CD1 . LEU A 1 23 ? -16.260 17.385 14.972 1.00 106.71 ? 51 LEU A CD1 1 ATOM 114 C CD2 . LEU A 1 23 ? -16.895 15.091 15.728 1.00 116.05 ? 51 LEU A CD2 1 ATOM 115 N N . GLN A 1 24 ? -18.535 14.756 10.806 1.00 98.37 ? 52 GLN A N 1 ATOM 116 C CA . GLN A 1 24 ? -18.649 15.034 9.378 1.00 94.84 ? 52 GLN A CA 1 ATOM 117 C C . GLN A 1 24 ? -19.051 16.496 9.262 1.00 98.84 ? 52 GLN A C 1 ATOM 118 O O . GLN A 1 24 ? -20.240 16.831 9.276 1.00 98.26 ? 52 GLN A O 1 ATOM 119 C CB . GLN A 1 24 ? -19.630 14.083 8.707 1.00 103.28 ? 52 GLN A CB 1 ATOM 120 C CG . GLN A 1 24 ? -19.219 12.594 8.783 1.00 110.79 ? 52 GLN A CG 1 ATOM 121 C CD . GLN A 1 24 ? -18.048 12.219 7.877 1.00 115.07 ? 52 GLN A CD 1 ATOM 122 O OE1 . GLN A 1 24 ? -18.092 12.422 6.657 1.00 111.50 ? 52 GLN A OE1 1 ATOM 123 N NE2 . GLN A 1 24 ? -16.977 11.713 8.478 1.00 119.25 ? 52 GLN A NE2 1 ATOM 124 N N . GLY A 1 25 ? -18.059 17.341 9.035 1.00 90.66 ? 53 GLY A N 1 ATOM 125 C CA . GLY A 1 25 ? -18.307 18.748 8.820 1.00 90.81 ? 53 GLY A CA 1 ATOM 126 C C . GLY A 1 25 ? -17.002 19.497 8.752 1.00 94.71 ? 53 GLY A C 1 ATOM 127 O O . GLY A 1 25 ? -15.924 18.967 9.049 1.00 92.65 ? 53 GLY A O 1 ATOM 128 N N . CYS A 1 26 ? -17.120 20.770 8.410 1.00 90.78 ? 54 CYS A N 1 ATOM 129 C CA . CYS A 1 26 ? -15.947 21.580 8.158 1.00 99.82 ? 54 CYS A CA 1 ATOM 130 C C . CYS A 1 26 ? -16.022 22.859 8.973 1.00 90.77 ? 54 CYS A C 1 ATOM 131 O O . CYS A 1 26 ? -17.093 23.314 9.379 1.00 91.12 ? 54 CYS A O 1 ATOM 132 C CB . CYS A 1 26 ? -15.750 21.849 6.635 1.00 104.74 ? 54 CYS A CB 1 ATOM 133 S SG . CYS A 1 26 ? -17.193 22.414 5.761 1.00 115.13 ? 54 CYS A SG 1 ATOM 134 N N . LEU A 1 27 ? -14.851 23.401 9.244 1.00 90.56 ? 55 LEU A N 1 ATOM 135 C CA . LEU A 1 27 ? -14.685 24.359 10.317 1.00 90.63 ? 55 LEU A CA 1 ATOM 136 C C . LEU A 1 27 ? -15.208 25.715 9.875 1.00 100.79 ? 55 LEU A C 1 ATOM 137 O O . LEU A 1 27 ? -14.988 26.136 8.736 1.00 98.13 ? 55 LEU A O 1 ATOM 138 C CB . LEU A 1 27 ? -13.214 24.462 10.678 1.00 90.32 ? 55 LEU A CB 1 ATOM 139 C CG . LEU A 1 27 ? -12.910 25.169 11.974 1.00 92.63 ? 55 LEU A CG 1 ATOM 140 C CD1 . LEU A 1 27 ? -13.300 24.180 13.031 1.00 90.40 ? 55 LEU A CD1 1 ATOM 141 C CD2 . LEU A 1 27 ? -11.431 25.621 12.079 1.00 90.19 ? 55 LEU A CD2 1 ATOM 142 N N . GLU A 1 28 ? -15.916 26.401 10.767 1.00 99.86 ? 56 GLU A N 1 ATOM 143 C CA . GLU A 1 28 ? -16.352 27.747 10.438 1.00 107.40 ? 56 GLU A CA 1 ATOM 144 C C . GLU A 1 28 ? -16.273 28.641 11.659 1.00 119.52 ? 56 GLU A C 1 ATOM 145 O O . GLU A 1 28 ? -16.197 28.178 12.804 1.00 123.01 ? 56 GLU A O 1 ATOM 146 C CB . GLU A 1 28 ? -17.773 27.805 9.870 1.00 107.45 ? 56 GLU A CB 1 ATOM 147 C CG . GLU A 1 28 ? -18.856 27.338 10.786 1.00 113.64 ? 56 GLU A CG 1 ATOM 148 C CD . GLU A 1 28 ? -20.218 27.580 10.186 1.00 122.14 ? 56 GLU A CD 1 ATOM 149 O OE1 . GLU A 1 28 ? -20.304 28.427 9.271 1.00 122.37 ? 56 GLU A OE1 1 ATOM 150 O OE2 . GLU A 1 28 ? -21.198 26.947 10.629 1.00 130.17 ? 56 GLU A OE2 1 ATOM 151 N N . ALA A 1 29 ? -16.277 29.945 11.381 1.00 117.38 ? 57 ALA A N 1 ATOM 152 C CA . ALA A 1 29 ? -16.282 30.985 12.401 1.00 111.94 ? 57 ALA A CA 1 ATOM 153 C C . ALA A 1 29 ? -17.615 31.719 12.313 1.00 118.39 ? 57 ALA A C 1 ATOM 154 O O . ALA A 1 29 ? -17.823 32.543 11.417 1.00 112.13 ? 57 ALA A O 1 ATOM 155 C CB . ALA A 1 29 ? -15.110 31.924 12.196 1.00 100.63 ? 57 ALA A CB 1 ATOM 156 N N . GLN A 1 30 ? -18.490 31.433 13.281 1.00 138.84 ? 58 GLN A N 1 ATOM 157 C CA . GLN A 1 30 ? -19.831 31.989 13.416 1.00 144.05 ? 58 GLN A CA 1 ATOM 158 C C . GLN A 1 30 ? -19.883 32.720 14.746 1.00 134.74 ? 58 GLN A C 1 ATOM 159 O O . GLN A 1 30 ? -19.263 32.278 15.725 1.00 128.95 ? 58 GLN A O 1 ATOM 160 C CB . GLN A 1 30 ? -20.921 30.890 13.422 1.00 154.37 ? 58 GLN A CB 1 ATOM 161 C CG . GLN A 1 30 ? -21.072 30.041 12.163 1.00 160.07 ? 58 GLN A CG 1 ATOM 162 C CD . GLN A 1 30 ? -21.741 30.760 11.007 1.00 163.80 ? 58 GLN A CD 1 ATOM 163 O OE1 . GLN A 1 30 ? -21.081 31.245 10.090 1.00 166.61 ? 58 GLN A OE1 1 ATOM 164 N NE2 . GLN A 1 30 ? -23.066 30.802 11.032 1.00 164.34 ? 58 GLN A NE2 1 ATOM 165 N N . GLY A 1 31 ? -20.627 33.826 14.803 1.00 128.32 ? 59 GLY A N 1 ATOM 166 C CA . GLY A 1 31 ? -20.526 34.506 16.072 1.00 124.64 ? 59 GLY A CA 1 ATOM 167 C C . GLY A 1 31 ? -19.080 34.913 16.230 1.00 127.32 ? 59 GLY A C 1 ATOM 168 O O . GLY A 1 31 ? -18.381 35.243 15.259 1.00 129.04 ? 59 GLY A O 1 ATOM 169 N N . GLY A 1 32 ? -18.612 34.850 17.466 1.00 126.61 ? 60 GLY A N 1 ATOM 170 C CA . GLY A 1 32 ? -17.212 35.064 17.750 1.00 131.13 ? 60 GLY A CA 1 ATOM 171 C C . GLY A 1 32 ? -16.396 33.791 17.727 1.00 128.73 ? 60 GLY A C 1 ATOM 172 O O . GLY A 1 32 ? -15.162 33.860 17.822 1.00 114.47 ? 60 GLY A O 1 ATOM 173 N N . GLN A 1 33 ? -17.064 32.626 17.649 1.00 138.31 ? 61 GLN A N 1 ATOM 174 C CA . GLN A 1 33 ? -16.475 31.331 17.967 1.00 136.79 ? 61 GLN A CA 1 ATOM 175 C C . GLN A 1 33 ? -16.361 30.491 16.687 1.00 117.18 ? 61 GLN A C 1 ATOM 176 O O . GLN A 1 33 ? -16.824 30.883 15.611 1.00 103.30 ? 61 GLN A O 1 ATOM 177 C CB . GLN A 1 33 ? -17.312 30.641 19.058 1.00 144.70 ? 61 GLN A CB 1 ATOM 178 C CG . GLN A 1 33 ? -16.731 29.362 19.665 1.00 142.64 ? 61 GLN A CG 1 ATOM 179 C CD . GLN A 1 33 ? -15.378 29.582 20.305 1.00 138.69 ? 61 GLN A CD 1 ATOM 180 O OE1 . GLN A 1 33 ? -15.224 30.416 21.202 1.00 138.32 ? 61 GLN A OE1 1 ATOM 181 N NE2 . GLN A 1 33 ? -14.382 28.827 19.847 1.00 132.06 ? 61 GLN A NE2 1 ATOM 182 N N . VAL A 1 34 ? -15.780 29.300 16.828 1.00 114.20 ? 62 VAL A N 1 ATOM 183 C CA . VAL A 1 34 ? -15.516 28.382 15.726 1.00 109.42 ? 62 VAL A CA 1 ATOM 184 C C . VAL A 1 34 ? -16.099 27.012 16.049 1.00 107.34 ? 62 VAL A C 1 ATOM 185 O O . VAL A 1 34 ? -15.854 26.469 17.135 1.00 106.10 ? 62 VAL A O 1 ATOM 186 C CB . VAL A 1 34 ? -14.003 28.287 15.452 1.00 105.50 ? 62 VAL A CB 1 ATOM 187 C CG1 . VAL A 1 34 ? -13.261 28.677 16.683 1.00 99.48 ? 62 VAL A CG1 1 ATOM 188 C CG2 . VAL A 1 34 ? -13.605 26.899 15.077 1.00 104.83 ? 62 VAL A CG2 1 ATOM 189 N N . ARG A 1 35 ? -16.895 26.467 15.126 1.00 74.77 ? 63 ARG A N 1 ATOM 190 C CA . ARG A 1 35 ? -17.492 25.153 15.321 1.00 89.71 ? 63 ARG A CA 1 ATOM 191 C C . ARG A 1 35 ? -17.355 24.329 14.036 1.00 89.38 ? 63 ARG A C 1 ATOM 192 O O . ARG A 1 35 ? -16.876 24.809 13.001 1.00 87.59 ? 63 ARG A O 1 ATOM 193 C CB . ARG A 1 35 ? -18.959 25.296 15.752 1.00 86.74 ? 63 ARG A CB 1 ATOM 194 C CG . ARG A 1 35 ? -19.089 26.266 16.888 1.00 84.03 ? 63 ARG A CG 1 ATOM 195 C CD . ARG A 1 35 ? -20.394 26.297 17.567 1.00 91.78 ? 63 ARG A CD 1 ATOM 196 N NE . ARG A 1 35 ? -20.379 27.426 18.476 1.00 104.01 ? 63 ARG A NE 1 ATOM 197 C CZ . ARG A 1 35 ? -19.701 27.454 19.616 1.00 121.66 ? 63 ARG A CZ 1 ATOM 198 N NH1 . ARG A 1 35 ? -18.960 26.415 19.985 1.00 125.94 ? 63 ARG A NH1 1 ATOM 199 N NH2 . ARG A 1 35 ? -19.745 28.536 20.378 1.00 127.87 ? 63 ARG A NH2 1 ATOM 200 N N . VAL A 1 36 ? -17.790 23.076 14.105 1.00 91.25 ? 64 VAL A N 1 ATOM 201 C CA . VAL A 1 36 ? -17.857 22.194 12.944 1.00 99.51 ? 64 VAL A CA 1 ATOM 202 C C . VAL A 1 36 ? -19.264 22.239 12.374 1.00 89.07 ? 64 VAL A C 1 ATOM 203 O O . VAL A 1 36 ? -20.241 22.050 13.106 1.00 89.87 ? 64 VAL A O 1 ATOM 204 C CB . VAL A 1 36 ? -17.467 20.755 13.312 1.00 107.47 ? 64 VAL A CB 1 ATOM 205 C CG1 . VAL A 1 36 ? -17.783 19.845 12.172 1.00 107.83 ? 64 VAL A CG1 1 ATOM 206 C CG2 . VAL A 1 36 ? -15.995 20.691 13.601 1.00 115.24 ? 64 VAL A CG2 1 ATOM 207 N N . THR A 1 37 ? -19.375 22.501 11.073 1.00 84.56 ? 65 THR A N 1 ATOM 208 C CA . THR A 1 37 ? -20.679 22.520 10.430 1.00 86.24 ? 65 THR A CA 1 ATOM 209 C C . THR A 1 37 ? -20.796 21.397 9.409 1.00 87.75 ? 65 THR A C 1 ATOM 210 O O . THR A 1 37 ? -19.976 21.302 8.479 1.00 89.48 ? 65 THR A O 1 ATOM 211 C CB . THR A 1 37 ? -20.966 23.876 9.780 1.00 88.46 ? 65 THR A CB 1 ATOM 212 O OG1 . THR A 1 37 ? -22.255 23.844 9.158 1.00 85.66 ? 65 THR A OG1 1 ATOM 213 C CG2 . THR A 1 37 ? -19.910 24.243 8.755 1.00 93.09 ? 65 THR A CG2 1 ATOM 214 N N . PRO A 1 38 ? -21.775 20.503 9.583 1.00 88.28 ? 66 PRO A N 1 ATOM 215 C CA . PRO A 1 38 ? -22.060 19.486 8.551 1.00 83.43 ? 66 PRO A CA 1 ATOM 216 C C . PRO A 1 38 ? -22.567 20.083 7.250 1.00 93.25 ? 66 PRO A C 1 ATOM 217 O O . PRO A 1 38 ? -22.508 19.422 6.205 1.00 102.28 ? 66 PRO A O 1 ATOM 218 C CB . PRO A 1 38 ? -23.125 18.610 9.212 1.00 82.47 ? 66 PRO A CB 1 ATOM 219 C CG . PRO A 1 38 ? -22.910 18.852 10.732 1.00 90.59 ? 66 PRO A CG 1 ATOM 220 C CD . PRO A 1 38 ? -22.523 20.281 10.837 1.00 80.41 ? 66 PRO A CD 1 ATOM 221 N N . ALA A 1 39 ? -22.972 21.346 7.285 1.00 94.54 ? 67 ALA A N 1 ATOM 222 C CA . ALA A 1 39 ? -23.555 22.132 6.206 1.00 94.94 ? 67 ALA A CA 1 ATOM 223 C C . ALA A 1 39 ? -22.481 22.693 5.275 1.00 100.50 ? 67 ALA A C 1 ATOM 224 O O . ALA A 1 39 ? -22.629 23.824 4.794 1.00 112.66 ? 67 ALA A O 1 ATOM 225 C CB . ALA A 1 39 ? -24.410 23.265 6.764 1.00 97.77 ? 67 ALA A CB 1 ATOM 226 N N . CYS A 1 40 ? -21.355 21.982 5.119 1.00 79.20 ? 68 CYS A N 1 ATOM 227 C CA . CYS A 1 40 ? -20.194 22.481 4.381 1.00 76.89 ? 68 CYS A CA 1 ATOM 228 C C . CYS A 1 40 ? -20.582 23.269 3.142 1.00 76.26 ? 68 CYS A C 1 ATOM 229 O O . CYS A 1 40 ? -21.409 22.833 2.343 1.00 76.17 ? 68 CYS A O 1 ATOM 230 C CB . CYS A 1 40 ? -19.296 21.306 3.951 1.00 77.47 ? 68 CYS A CB 1 ATOM 231 S SG . CYS A 1 40 ? -18.265 20.706 5.265 1.00 106.99 ? 68 CYS A SG 1 ATOM 232 N N . ASN A 1 41 ? -20.007 24.465 3.020 1.00 74.58 ? 69 ASN A N 1 ATOM 233 C CA . ASN A 1 41 ? -20.308 25.355 1.909 1.00 77.40 ? 69 ASN A CA 1 ATOM 234 C C . ASN A 1 41 ? -19.042 26.087 1.485 1.00 79.19 ? 69 ASN A C 1 ATOM 235 O O . ASN A 1 41 ? -18.429 26.810 2.280 1.00 79.66 ? 69 ASN A O 1 ATOM 236 C CB . ASN A 1 41 ? -21.424 26.308 2.330 1.00 96.76 ? 69 ASN A CB 1 ATOM 237 C CG . ASN A 1 41 ? -21.910 27.202 1.214 1.00 120.54 ? 69 ASN A CG 1 ATOM 238 O OD1 . ASN A 1 41 ? -21.173 27.555 0.288 1.00 109.12 ? 69 ASN A OD1 1 ATOM 239 N ND2 . ASN A 1 41 ? -23.194 27.570 1.306 1.00 155.52 ? 69 ASN A ND2 1 ATOM 240 N N . THR A 1 42 ? -18.667 25.918 0.222 1.00 70.83 ? 70 THR A N 1 ATOM 241 C CA . THR A 1 42 ? -17.522 26.623 -0.318 1.00 68.57 ? 70 THR A CA 1 ATOM 242 C C . THR A 1 42 ? -17.788 28.105 -0.483 1.00 78.94 ? 70 THR A C 1 ATOM 243 O O . THR A 1 42 ? -16.844 28.878 -0.664 1.00 75.44 ? 70 THR A O 1 ATOM 244 C CB . THR A 1 42 ? -17.155 26.047 -1.681 1.00 81.44 ? 70 THR A CB 1 ATOM 245 O OG1 . THR A 1 42 ? -18.316 26.094 -2.520 1.00 91.23 ? 70 THR A OG1 1 ATOM 246 C CG2 . THR A 1 42 ? -16.656 24.613 -1.552 1.00 70.65 ? 70 THR A CG2 1 ATOM 247 N N . SER A 1 43 ? -19.044 28.519 -0.493 1.00 91.66 ? 71 SER A N 1 ATOM 248 C CA . SER A 1 43 ? -19.322 29.907 -0.823 1.00 104.40 ? 71 SER A CA 1 ATOM 249 C C . SER A 1 43 ? -19.397 30.802 0.395 1.00 93.82 ? 71 SER A C 1 ATOM 250 O O . SER A 1 43 ? -19.429 32.027 0.242 1.00 83.29 ? 71 SER A O 1 ATOM 251 C CB . SER A 1 43 ? -20.636 30.019 -1.604 1.00 120.07 ? 71 SER A CB 1 ATOM 252 O OG . SER A 1 43 ? -20.911 31.375 -1.917 1.00 131.59 ? 71 SER A OG 1 ATOM 253 N N . LEU A 1 44 ? -19.423 30.228 1.593 1.00 97.26 ? 72 LEU A N 1 ATOM 254 C CA . LEU A 1 44 ? -19.694 31.009 2.786 1.00 90.13 ? 72 LEU A CA 1 ATOM 255 C C . LEU A 1 44 ? -18.384 31.461 3.408 1.00 88.03 ? 72 LEU A C 1 ATOM 256 O O . LEU A 1 44 ? -17.614 30.616 3.894 1.00 84.53 ? 72 LEU A O 1 ATOM 257 C CB . LEU A 1 44 ? -20.520 30.208 3.774 1.00 98.58 ? 72 LEU A CB 1 ATOM 258 C CG . LEU A 1 44 ? -21.867 29.862 3.125 1.00 103.66 ? 72 LEU A CG 1 ATOM 259 C CD1 . LEU A 1 44 ? -22.721 29.018 4.037 1.00 108.06 ? 72 LEU A CD1 1 ATOM 260 C CD2 . LEU A 1 44 ? -22.636 31.091 2.643 1.00 104.37 ? 72 LEU A CD2 1 ATOM 261 N N . PRO A 1 45 ? -18.108 32.761 3.440 1.00 87.42 ? 73 PRO A N 1 ATOM 262 C CA . PRO A 1 45 ? -16.834 33.275 3.967 1.00 81.09 ? 73 PRO A CA 1 ATOM 263 C C . PRO A 1 45 ? -16.456 32.776 5.355 1.00 79.97 ? 73 PRO A C 1 ATOM 264 O O . PRO A 1 45 ? -15.278 32.797 5.714 1.00 85.34 ? 73 PRO A O 1 ATOM 265 C CB . PRO A 1 45 ? -17.061 34.789 3.981 1.00 79.13 ? 73 PRO A CB 1 ATOM 266 C CG . PRO A 1 45 ? -18.084 35.037 2.905 1.00 75.61 ? 73 PRO A CG 1 ATOM 267 C CD . PRO A 1 45 ? -18.943 33.811 2.828 1.00 87.56 ? 73 PRO A CD 1 ATOM 268 N N . ALA A 1 46 ? -17.423 32.332 6.151 1.00 80.70 ? 74 ALA A N 1 ATOM 269 C CA . ALA A 1 46 ? -17.080 31.854 7.488 1.00 88.32 ? 74 ALA A CA 1 ATOM 270 C C . ALA A 1 46 ? -16.343 30.520 7.462 1.00 91.48 ? 74 ALA A C 1 ATOM 271 O O . ALA A 1 46 ? -15.669 30.180 8.449 1.00 71.51 ? 74 ALA A O 1 ATOM 272 C CB . ALA A 1 46 ? -18.340 31.730 8.348 1.00 85.89 ? 74 ALA A CB 1 ATOM 273 N N . GLN A 1 47 ? -16.479 29.751 6.372 1.00 90.05 ? 75 GLN A N 1 ATOM 274 C CA . GLN A 1 47 ? -15.959 28.394 6.307 1.00 84.14 ? 75 GLN A CA 1 ATOM 275 C C . GLN A 1 47 ? -14.632 28.282 5.577 1.00 77.02 ? 75 GLN A C 1 ATOM 276 O O . GLN A 1 47 ? -14.051 27.192 5.533 1.00 86.06 ? 75 GLN A O 1 ATOM 277 C CB . GLN A 1 47 ? -16.980 27.469 5.640 1.00 76.71 ? 75 GLN A CB 1 ATOM 278 C CG . GLN A 1 47 ? -18.301 27.453 6.361 1.00 71.23 ? 75 GLN A CG 1 ATOM 279 C CD . GLN A 1 47 ? -19.236 26.389 5.838 1.00 76.24 ? 75 GLN A CD 1 ATOM 280 O OE1 . GLN A 1 47 ? -18.977 25.748 4.814 1.00 81.40 ? 75 GLN A OE1 1 ATOM 281 N NE2 . GLN A 1 47 ? -20.366 26.240 6.500 1.00 83.84 ? 75 GLN A NE2 1 ATOM 282 N N . ARG A 1 48 ? -14.129 29.367 5.021 1.00 74.13 ? 76 ARG A N 1 ATOM 283 C CA . ARG A 1 48 ? -12.989 29.315 4.121 1.00 68.67 ? 76 ARG A CA 1 ATOM 284 C C . ARG A 1 48 ? -11.765 29.997 4.714 1.00 70.38 ? 76 ARG A C 1 ATOM 285 O O . ARG A 1 48 ? -11.836 31.130 5.199 1.00 84.23 ? 76 ARG A O 1 ATOM 286 C CB . ARG A 1 48 ? -13.394 29.893 2.771 1.00 74.73 ? 76 ARG A CB 1 ATOM 287 C CG . ARG A 1 48 ? -14.201 31.142 2.846 1.00 68.90 ? 76 ARG A CG 1 ATOM 288 C CD . ARG A 1 48 ? -14.913 31.315 1.510 1.00 75.62 ? 76 ARG A CD 1 ATOM 289 N NE . ARG A 1 48 ? -14.044 31.851 0.485 1.00 81.38 ? 76 ARG A NE 1 ATOM 290 C CZ . ARG A 1 48 ? -14.347 31.875 -0.798 1.00 80.41 ? 76 ARG A CZ 1 ATOM 291 N NH1 . ARG A 1 48 ? -15.473 31.324 -1.226 1.00 79.97 ? 76 ARG A NH1 1 ATOM 292 N NH2 . ARG A 1 48 ? -13.496 32.418 -1.648 1.00 84.52 ? 76 ARG A NH2 1 ATOM 293 N N . TRP A 1 49 ? -10.647 29.291 4.654 1.00 68.38 ? 77 TRP A N 1 ATOM 294 C CA . TRP A 1 49 ? -9.450 29.591 5.404 1.00 68.39 ? 77 TRP A CA 1 ATOM 295 C C . TRP A 1 49 ? -8.302 29.857 4.446 1.00 74.61 ? 77 TRP A C 1 ATOM 296 O O . TRP A 1 49 ? -8.302 29.393 3.304 1.00 91.66 ? 77 TRP A O 1 ATOM 297 C CB . TRP A 1 49 ? -9.130 28.427 6.321 1.00 68.43 ? 77 TRP A CB 1 ATOM 298 C CG . TRP A 1 49 ? -10.211 28.214 7.294 1.00 68.80 ? 77 TRP A CG 1 ATOM 299 C CD1 . TRP A 1 49 ? -11.288 27.398 7.146 1.00 68.86 ? 77 TRP A CD1 1 ATOM 300 C CD2 . TRP A 1 49 ? -10.341 28.819 8.588 1.00 72.60 ? 77 TRP A CD2 1 ATOM 301 N NE1 . TRP A 1 49 ? -12.075 27.450 8.262 1.00 80.99 ? 77 TRP A NE1 1 ATOM 302 C CE2 . TRP A 1 49 ? -11.516 28.319 9.163 1.00 71.49 ? 77 TRP A CE2 1 ATOM 303 C CE3 . TRP A 1 49 ? -9.572 29.731 9.316 1.00 71.70 ? 77 TRP A CE3 1 ATOM 304 C CZ2 . TRP A 1 49 ? -11.949 28.709 10.423 1.00 74.80 ? 77 TRP A CZ2 1 ATOM 305 C CZ3 . TRP A 1 49 ? -10.007 30.112 10.578 1.00 70.01 ? 77 TRP A CZ3 1 ATOM 306 C CH2 . TRP A 1 49 ? -11.177 29.616 11.108 1.00 70.17 ? 77 TRP A CH2 1 ATOM 307 N N . LYS A 1 50 ? -7.333 30.637 4.904 1.00 77.31 ? 78 LYS A N 1 ATOM 308 C CA . LYS A 1 50 ? -6.153 30.949 4.108 1.00 73.70 ? 78 LYS A CA 1 ATOM 309 C C . LYS A 1 50 ? -4.958 30.990 5.045 1.00 74.96 ? 78 LYS A C 1 ATOM 310 O O . LYS A 1 50 ? -4.999 31.693 6.057 1.00 75.41 ? 78 LYS A O 1 ATOM 311 C CB . LYS A 1 50 ? -6.334 32.298 3.383 1.00 75.07 ? 78 LYS A CB 1 ATOM 312 C CG . LYS A 1 50 ? -5.172 32.720 2.501 1.00 75.50 ? 78 LYS A CG 1 ATOM 313 C CD . LYS A 1 50 ? -5.364 34.063 1.749 1.00 71.98 ? 78 LYS A CD 1 ATOM 314 C CE . LYS A 1 50 ? -4.158 34.264 0.798 1.00 88.29 ? 78 LYS A CE 1 ATOM 315 N NZ . LYS A 1 50 ? -4.078 35.520 -0.030 1.00 96.22 ? 78 LYS A NZ 1 ATOM 316 N N . TRP A 1 51 ? -3.909 30.237 4.742 1.00 68.28 ? 79 TRP A N 1 ATOM 317 C CA . TRP A 1 51 ? -2.670 30.423 5.486 1.00 69.87 ? 79 TRP A CA 1 ATOM 318 C C . TRP A 1 51 ? -2.094 31.792 5.179 1.00 73.54 ? 79 TRP A C 1 ATOM 319 O O . TRP A 1 51 ? -1.961 32.178 4.015 1.00 72.79 ? 79 TRP A O 1 ATOM 320 C CB . TRP A 1 51 ? -1.617 29.373 5.145 1.00 71.15 ? 79 TRP A CB 1 ATOM 321 C CG . TRP A 1 51 ? -1.853 28.052 5.702 1.00 72.99 ? 79 TRP A CG 1 ATOM 322 C CD1 . TRP A 1 51 ? -2.288 26.957 5.040 1.00 88.11 ? 79 TRP A CD1 1 ATOM 323 C CD2 . TRP A 1 51 ? -1.687 27.671 7.057 1.00 67.82 ? 79 TRP A CD2 1 ATOM 324 N NE1 . TRP A 1 51 ? -2.387 25.898 5.903 1.00 86.00 ? 79 TRP A NE1 1 ATOM 325 C CE2 . TRP A 1 51 ? -2.012 26.312 7.150 1.00 82.16 ? 79 TRP A CE2 1 ATOM 326 C CE3 . TRP A 1 51 ? -1.270 28.344 8.204 1.00 81.31 ? 79 TRP A CE3 1 ATOM 327 C CZ2 . TRP A 1 51 ? -1.953 25.613 8.346 1.00 88.63 ? 79 TRP A CZ2 1 ATOM 328 C CZ3 . TRP A 1 51 ? -1.199 27.650 9.386 1.00 88.40 ? 79 TRP A CZ3 1 ATOM 329 C CH2 . TRP A 1 51 ? -1.549 26.298 9.454 1.00 94.42 ? 79 TRP A CH2 1 ATOM 330 N N . VAL A 1 52 ? -1.715 32.515 6.221 1.00 68.63 ? 80 VAL A N 1 ATOM 331 C CA . VAL A 1 52 ? -1.066 33.786 5.994 1.00 72.92 ? 80 VAL A CA 1 ATOM 332 C C . VAL A 1 52 ? 0.293 33.701 6.661 1.00 79.57 ? 80 VAL A C 1 ATOM 333 O O . VAL A 1 52 ? 0.716 32.620 7.091 1.00 85.52 ? 80 VAL A O 1 ATOM 334 C CB . VAL A 1 52 ? -1.908 34.947 6.550 1.00 75.71 ? 80 VAL A CB 1 ATOM 335 C CG1 . VAL A 1 52 ? -3.243 35.081 5.802 1.00 68.44 ? 80 VAL A CG1 1 ATOM 336 C CG2 . VAL A 1 52 ? -2.150 34.743 7.998 1.00 85.56 ? 80 VAL A CG2 1 ATOM 337 N N . SER A 1 53 ? 1.007 34.817 6.683 1.00 71.83 ? 81 SER A N 1 ATOM 338 C CA . SER A 1 53 ? 2.380 34.834 7.145 1.00 76.31 ? 81 SER A CA 1 ATOM 339 C C . SER A 1 53 ? 2.414 34.568 8.656 1.00 80.25 ? 81 SER A C 1 ATOM 340 O O . SER A 1 53 ? 1.422 34.772 9.374 1.00 76.23 ? 81 SER A O 1 ATOM 341 C CB . SER A 1 53 ? 3.023 36.170 6.814 1.00 68.33 ? 81 SER A CB 1 ATOM 342 O OG . SER A 1 53 ? 2.492 37.165 7.666 1.00 69.62 ? 81 SER A OG 1 ATOM 343 N N . ARG A 1 54 ? 3.592 34.157 9.137 1.00 74.79 ? 82 ARG A N 1 ATOM 344 C CA . ARG A 1 54 ? 3.867 33.932 10.567 1.00 90.80 ? 82 ARG A CA 1 ATOM 345 C C . ARG A 1 54 ? 2.982 32.817 11.134 1.00 98.35 ? 82 ARG A C 1 ATOM 346 O O . ARG A 1 54 ? 2.491 32.902 12.264 1.00 107.33 ? 82 ARG A O 1 ATOM 347 C CB . ARG A 1 54 ? 3.716 35.205 11.415 1.00 94.63 ? 82 ARG A CB 1 ATOM 348 C CG . ARG A 1 54 ? 4.571 36.448 10.999 1.00 100.20 ? 82 ARG A CG 1 ATOM 349 C CD . ARG A 1 54 ? 4.870 37.369 12.231 1.00 107.66 ? 82 ARG A CD 1 ATOM 350 N NE . ARG A 1 54 ? 3.722 38.109 12.777 1.00 110.45 ? 82 ARG A NE 1 ATOM 351 C CZ . ARG A 1 54 ? 3.347 39.337 12.426 1.00 99.39 ? 82 ARG A CZ 1 ATOM 352 N NH1 . ARG A 1 54 ? 4.028 40.003 11.499 1.00 97.77 ? 82 ARG A NH1 1 ATOM 353 N NH2 . ARG A 1 54 ? 2.284 39.896 13.014 1.00 90.38 ? 82 ARG A NH2 1 ATOM 354 N N . ASN A 1 55 ? 2.726 31.796 10.305 1.00 87.96 ? 83 ASN A N 1 ATOM 355 C CA . ASN A 1 55 ? 2.038 30.550 10.686 1.00 91.59 ? 83 ASN A CA 1 ATOM 356 C C . ASN A 1 55 ? 0.616 30.809 11.166 1.00 85.05 ? 83 ASN A C 1 ATOM 357 O O . ASN A 1 55 ? 0.086 30.060 11.990 1.00 85.44 ? 83 ASN A O 1 ATOM 358 C CB . ASN A 1 55 ? 2.805 29.794 11.770 1.00 90.20 ? 83 ASN A CB 1 ATOM 359 C CG . ASN A 1 55 ? 4.200 29.454 11.357 1.00 85.11 ? 83 ASN A CG 1 ATOM 360 O OD1 . ASN A 1 55 ? 5.154 30.078 11.816 1.00 92.69 ? 83 ASN A OD1 1 ATOM 361 N ND2 . ASN A 1 55 ? 4.342 28.457 10.511 1.00 80.60 ? 83 ASN A ND2 1 ATOM 362 N N . ARG A 1 56 ? -0.044 31.805 10.593 1.00 72.35 ? 84 ARG A N 1 ATOM 363 C CA . ARG A 1 56 ? -1.383 32.178 11.008 1.00 79.32 ? 84 ARG A CA 1 ATOM 364 C C . ARG A 1 56 ? -2.436 31.711 9.999 1.00 84.81 ? 84 ARG A C 1 ATOM 365 O O . ARG A 1 56 ? -2.159 31.549 8.808 1.00 90.16 ? 84 ARG A O 1 ATOM 366 C CB . ARG A 1 56 ? -1.473 33.697 11.223 1.00 69.50 ? 84 ARG A CB 1 ATOM 367 C CG . ARG A 1 56 ? -0.844 34.211 12.528 1.00 75.85 ? 84 ARG A CG 1 ATOM 368 C CD . ARG A 1 56 ? -0.813 35.733 12.553 1.00 70.22 ? 84 ARG A CD 1 ATOM 369 N NE . ARG A 1 56 ? -0.021 36.257 11.452 1.00 70.23 ? 84 ARG A NE 1 ATOM 370 C CZ . ARG A 1 56 ? 0.243 37.540 11.251 1.00 70.05 ? 84 ARG A CZ 1 ATOM 371 N NH1 . ARG A 1 56 ? -0.222 38.462 12.088 1.00 70.59 ? 84 ARG A NH1 1 ATOM 372 N NH2 . ARG A 1 56 ? 0.983 37.893 10.210 1.00 69.74 ? 84 ARG A NH2 1 ATOM 373 N N . LEU A 1 57 ? -3.626 31.396 10.516 1.00 69.18 ? 85 LEU A N 1 ATOM 374 C CA . LEU A 1 57 ? -4.737 30.883 9.741 1.00 69.01 ? 85 LEU A CA 1 ATOM 375 C C . LEU A 1 57 ? -5.833 31.923 9.754 1.00 77.75 ? 85 LEU A C 1 ATOM 376 O O . LEU A 1 57 ? -6.508 32.111 10.775 1.00 77.57 ? 85 LEU A O 1 ATOM 377 C CB . LEU A 1 57 ? -5.342 29.601 10.297 1.00 88.00 ? 85 LEU A CB 1 ATOM 378 C CG . LEU A 1 57 ? -4.701 28.243 10.217 1.00 88.03 ? 85 LEU A CG 1 ATOM 379 C CD1 . LEU A 1 57 ? -3.718 28.284 11.349 1.00 92.20 ? 85 LEU A CD1 1 ATOM 380 C CD2 . LEU A 1 57 ? -5.756 27.157 10.381 1.00 81.28 ? 85 LEU A CD2 1 ATOM 381 N N . PHE A 1 58 ? -6.094 32.494 8.600 1.00 78.97 ? 86 PHE A N 1 ATOM 382 C CA . PHE A 1 58 ? -6.984 33.626 8.478 1.00 73.65 ? 86 PHE A CA 1 ATOM 383 C C . PHE A 1 58 ? -8.343 33.122 7.968 1.00 79.98 ? 86 PHE A C 1 ATOM 384 O O . PHE A 1 58 ? -8.412 32.237 7.099 1.00 73.51 ? 86 PHE A O 1 ATOM 385 C CB . PHE A 1 58 ? -6.362 34.621 7.527 1.00 75.22 ? 86 PHE A CB 1 ATOM 386 C CG . PHE A 1 58 ? -7.057 35.923 7.463 1.00 92.19 ? 86 PHE A CG 1 ATOM 387 C CD1 . PHE A 1 58 ? -6.822 36.861 8.455 1.00 89.01 ? 86 PHE A CD1 1 ATOM 388 C CD2 . PHE A 1 58 ? -7.879 36.249 6.383 1.00 99.69 ? 86 PHE A CD2 1 ATOM 389 C CE1 . PHE A 1 58 ? -7.416 38.081 8.406 1.00 96.46 ? 86 PHE A CE1 1 ATOM 390 C CE2 . PHE A 1 58 ? -8.486 37.482 6.320 1.00 101.86 ? 86 PHE A CE2 1 ATOM 391 C CZ . PHE A 1 58 ? -8.250 38.407 7.332 1.00 95.57 ? 86 PHE A CZ 1 ATOM 392 N N . ASN A 1 59 ? -9.417 33.624 8.570 1.00 69.75 ? 87 ASN A N 1 ATOM 393 C CA . ASN A 1 59 ? -10.780 33.304 8.174 1.00 69.82 ? 87 ASN A CA 1 ATOM 394 C C . ASN A 1 59 ? -11.421 34.522 7.520 1.00 70.01 ? 87 ASN A C 1 ATOM 395 O O . ASN A 1 59 ? -11.379 35.622 8.073 1.00 85.90 ? 87 ASN A O 1 ATOM 396 C CB . ASN A 1 59 ? -11.563 32.782 9.387 1.00 71.27 ? 87 ASN A CB 1 ATOM 397 C CG . ASN A 1 59 ? -13.042 32.687 9.155 1.00 75.20 ? 87 ASN A CG 1 ATOM 398 O OD1 . ASN A 1 59 ? -13.708 33.673 8.830 1.00 74.16 ? 87 ASN A OD1 1 ATOM 399 N ND2 . ASN A 1 59 ? -13.544 31.464 9.172 1.00 84.25 ? 87 ASN A ND2 1 ATOM 400 N N . LEU A 1 60 ? -12.001 34.319 6.328 1.00 73.39 ? 88 LEU A N 1 ATOM 401 C CA . LEU A 1 60 ? -12.400 35.432 5.461 1.00 77.27 ? 88 LEU A CA 1 ATOM 402 C C . LEU A 1 60 ? -13.702 36.111 5.893 1.00 85.71 ? 88 LEU A C 1 ATOM 403 O O . LEU A 1 60 ? -13.897 37.297 5.598 1.00 93.06 ? 88 LEU A O 1 ATOM 404 C CB . LEU A 1 60 ? -12.546 34.957 4.015 1.00 74.41 ? 88 LEU A CB 1 ATOM 405 C CG . LEU A 1 60 ? -11.343 34.936 3.097 1.00 80.06 ? 88 LEU A CG 1 ATOM 406 C CD1 . LEU A 1 60 ? -10.302 33.954 3.600 1.00 77.61 ? 88 LEU A CD1 1 ATOM 407 C CD2 . LEU A 1 60 ? -11.830 34.543 1.714 1.00 92.22 ? 88 LEU A CD2 1 ATOM 408 N N . GLY A 1 61 ? -14.620 35.398 6.546 1.00 82.03 ? 89 GLY A N 1 ATOM 409 C CA . GLY A 1 61 ? -15.807 36.070 7.053 1.00 96.17 ? 89 GLY A CA 1 ATOM 410 C C . GLY A 1 61 ? -15.500 36.955 8.251 1.00 98.50 ? 89 GLY A C 1 ATOM 411 O O . GLY A 1 61 ? -15.882 38.130 8.289 1.00 90.83 ? 89 GLY A O 1 ATOM 412 N N . THR A 1 62 ? -14.764 36.418 9.224 1.00 87.62 ? 90 THR A N 1 ATOM 413 C CA . THR A 1 62 ? -14.364 37.207 10.379 1.00 86.90 ? 90 THR A CA 1 ATOM 414 C C . THR A 1 62 ? -13.298 38.243 10.038 1.00 87.73 ? 90 THR A C 1 ATOM 415 O O . THR A 1 62 ? -13.139 39.220 10.778 1.00 85.71 ? 90 THR A O 1 ATOM 416 C CB . THR A 1 62 ? -13.851 36.280 11.481 1.00 82.54 ? 90 THR A CB 1 ATOM 417 O OG1 . THR A 1 62 ? -12.823 35.417 10.952 1.00 81.84 ? 90 THR A OG1 1 ATOM 418 C CG2 . THR A 1 62 ? -14.999 35.454 12.079 1.00 72.39 ? 90 THR A CG2 1 ATOM 419 N N . MET A 1 63 ? -12.576 38.060 8.931 1.00 85.32 ? 91 MET A N 1 ATOM 420 C CA . MET A 1 63 ? -11.393 38.864 8.627 1.00 78.19 ? 91 MET A CA 1 ATOM 421 C C . MET A 1 63 ? -10.440 38.859 9.821 1.00 77.62 ? 91 MET A C 1 ATOM 422 O O . MET A 1 63 ? -9.808 39.865 10.141 1.00 87.80 ? 91 MET A O 1 ATOM 423 C CB . MET A 1 63 ? -11.791 40.301 8.276 1.00 81.64 ? 91 MET A CB 1 ATOM 424 C CG . MET A 1 63 ? -12.546 40.528 6.975 1.00 83.36 ? 91 MET A CG 1 ATOM 425 S SD . MET A 1 63 ? -11.752 39.793 5.582 1.00 102.68 ? 91 MET A SD 1 ATOM 426 C CE . MET A 1 63 ? -10.935 41.256 4.934 1.00 109.59 ? 91 MET A CE 1 ATOM 427 N N . GLN A 1 64 ? -10.312 37.704 10.477 1.00 76.16 ? 92 GLN A N 1 ATOM 428 C CA . GLN A 1 64 ? -9.515 37.579 11.695 1.00 78.58 ? 92 GLN A CA 1 ATOM 429 C C . GLN A 1 64 ? -8.746 36.265 11.648 1.00 79.28 ? 92 GLN A C 1 ATOM 430 O O . GLN A 1 64 ? -9.027 35.404 10.815 1.00 87.70 ? 92 GLN A O 1 ATOM 431 C CB . GLN A 1 64 ? -10.449 37.646 12.912 1.00 82.22 ? 92 GLN A CB 1 ATOM 432 C CG . GLN A 1 64 ? -11.093 39.017 13.109 1.00 88.91 ? 92 GLN A CG 1 ATOM 433 C CD . GLN A 1 64 ? -12.048 39.093 14.317 1.00 92.95 ? 92 GLN A CD 1 ATOM 434 O OE1 . GLN A 1 64 ? -12.641 38.096 14.736 1.00 94.34 ? 92 GLN A OE1 1 ATOM 435 N NE2 . GLN A 1 64 ? -12.189 40.287 14.875 1.00 86.56 ? 92 GLN A NE2 1 ATOM 436 N N . CYS A 1 65 ? -7.952 36.005 12.679 1.00 71.28 ? 93 CYS A N 1 ATOM 437 C CA . CYS A 1 65 ? -7.091 34.831 12.752 1.00 75.53 ? 93 CYS A CA 1 ATOM 438 C C . CYS A 1 65 ? -7.470 33.912 13.889 1.00 78.05 ? 93 CYS A C 1 ATOM 439 O O . CYS A 1 65 ? -7.909 34.350 14.962 1.00 82.48 ? 93 CYS A O 1 ATOM 440 C CB . CYS A 1 65 ? -5.575 35.183 12.916 1.00 92.62 ? 93 CYS A CB 1 ATOM 441 S SG . CYS A 1 65 ? -4.777 36.006 11.525 1.00 112.24 ? 93 CYS A SG 1 ATOM 442 N N . LEU A 1 66 ? -7.381 32.626 13.588 1.00 77.92 ? 94 LEU A N 1 ATOM 443 C CA . LEU A 1 66 ? -7.662 31.618 14.590 1.00 91.00 ? 94 LEU A CA 1 ATOM 444 C C . LEU A 1 66 ? -6.673 31.811 15.726 1.00 96.57 ? 94 LEU A C 1 ATOM 445 O O . LEU A 1 66 ? -5.514 32.157 15.498 1.00 94.64 ? 94 LEU A O 1 ATOM 446 C CB . LEU A 1 66 ? -7.588 30.218 13.993 1.00 80.03 ? 94 LEU A CB 1 ATOM 447 C CG . LEU A 1 66 ? -7.911 29.065 14.940 1.00 84.32 ? 94 LEU A CG 1 ATOM 448 C CD1 . LEU A 1 66 ? -9.252 29.263 15.562 1.00 71.37 ? 94 LEU A CD1 1 ATOM 449 C CD2 . LEU A 1 66 ? -7.827 27.704 14.199 1.00 77.90 ? 94 LEU A CD2 1 ATOM 450 N N . GLY A 1 67 ? -7.145 31.619 16.953 1.00 103.44 ? 95 GLY A N 1 ATOM 451 C CA . GLY A 1 67 ? -6.325 31.821 18.130 1.00 112.75 ? 95 GLY A CA 1 ATOM 452 C C . GLY A 1 67 ? -6.786 30.949 19.278 1.00 117.34 ? 95 GLY A C 1 ATOM 453 O O . GLY A 1 67 ? -7.917 30.439 19.299 1.00 97.40 ? 95 GLY A O 1 ATOM 454 N N . THR A 1 68 ? -5.871 30.776 20.235 1.00 138.45 ? 96 THR A N 1 ATOM 455 C CA . THR A 1 68 ? -6.157 30.125 21.510 1.00 144.48 ? 96 THR A CA 1 ATOM 456 C C . THR A 1 68 ? -5.552 30.818 22.718 1.00 141.51 ? 96 THR A C 1 ATOM 457 O O . THR A 1 68 ? -6.195 30.893 23.768 1.00 137.70 ? 96 THR A O 1 ATOM 458 C CB . THR A 1 68 ? -5.638 28.675 21.508 1.00 154.00 ? 96 THR A CB 1 ATOM 459 O OG1 . THR A 1 68 ? -5.935 28.062 22.768 1.00 163.89 ? 96 THR A OG1 1 ATOM 460 C CG2 . THR A 1 68 ? -4.141 28.633 21.246 1.00 153.72 ? 96 THR A CG2 1 ATOM 461 N N . ALA A 1 77 ? -7.408 24.493 26.312 1.00 153.96 ? 105 ALA A N 1 ATOM 462 C CA . ALA A 1 77 ? -7.963 25.840 26.238 1.00 156.23 ? 105 ALA A CA 1 ATOM 463 C C . ALA A 1 77 ? -9.227 25.843 25.380 1.00 165.69 ? 105 ALA A C 1 ATOM 464 O O . ALA A 1 77 ? -10.187 25.145 25.684 1.00 163.16 ? 105 ALA A O 1 ATOM 465 C CB . ALA A 1 77 ? -6.925 26.819 25.688 1.00 150.60 ? 105 ALA A CB 1 ATOM 466 N N . SER A 1 78 ? -9.220 26.637 24.311 1.00 179.96 ? 106 SER A N 1 ATOM 467 C CA . SER A 1 78 ? -10.427 26.886 23.524 1.00 191.39 ? 106 SER A CA 1 ATOM 468 C C . SER A 1 78 ? -9.993 27.295 22.115 1.00 185.69 ? 106 SER A C 1 ATOM 469 O O . SER A 1 78 ? -8.915 26.898 21.656 1.00 194.63 ? 106 SER A O 1 ATOM 470 C CB . SER A 1 78 ? -11.298 27.944 24.235 1.00 196.23 ? 106 SER A CB 1 ATOM 471 O OG . SER A 1 78 ? -11.752 27.483 25.492 1.00 202.64 ? 106 SER A OG 1 ATOM 472 N N . LEU A 1 79 ? -10.820 28.088 21.441 1.00 162.82 ? 107 LEU A N 1 ATOM 473 C CA . LEU A 1 79 ? -10.546 28.527 20.081 1.00 135.96 ? 107 LEU A CA 1 ATOM 474 C C . LEU A 1 79 ? -11.335 29.811 19.898 1.00 122.92 ? 107 LEU A C 1 ATOM 475 O O . LEU A 1 79 ? -12.429 29.968 20.442 1.00 122.09 ? 107 LEU A O 1 ATOM 476 C CB . LEU A 1 79 ? -10.966 27.514 19.002 1.00 123.18 ? 107 LEU A CB 1 ATOM 477 C CG . LEU A 1 79 ? -10.201 26.282 18.506 1.00 120.93 ? 107 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 79 ? -11.024 25.567 17.413 1.00 116.23 ? 107 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 79 ? -8.813 26.618 18.010 1.00 126.40 ? 107 LEU A CD2 1 ATOM 480 N N . GLY A 1 80 ? -10.781 30.712 19.104 1.00 110.34 ? 108 GLY A N 1 ATOM 481 C CA . GLY A 1 80 ? -11.416 31.996 18.897 1.00 117.16 ? 108 GLY A CA 1 ATOM 482 C C . GLY A 1 80 ? -10.934 32.671 17.639 1.00 113.82 ? 108 GLY A C 1 ATOM 483 O O . GLY A 1 80 ? -9.895 32.315 17.080 1.00 111.66 ? 108 GLY A O 1 ATOM 484 N N . MET A 1 81 ? -11.697 33.663 17.204 1.00 112.48 ? 109 MET A N 1 ATOM 485 C CA . MET A 1 81 ? -11.266 34.554 16.144 1.00 111.39 ? 109 MET A CA 1 ATOM 486 C C . MET A 1 81 ? -10.765 35.847 16.774 1.00 104.45 ? 109 MET A C 1 ATOM 487 O O . MET A 1 81 ? -11.483 36.473 17.549 1.00 105.37 ? 109 MET A O 1 ATOM 488 C CB . MET A 1 81 ? -12.426 34.847 15.186 1.00 105.55 ? 109 MET A CB 1 ATOM 489 C CG . MET A 1 81 ? -12.774 33.721 14.222 1.00 105.90 ? 109 MET A CG 1 ATOM 490 S SD . MET A 1 81 ? -11.332 33.111 13.323 1.00 112.08 ? 109 MET A SD 1 ATOM 491 C CE . MET A 1 81 ? -11.134 31.594 14.211 1.00 105.80 ? 109 MET A CE 1 ATOM 492 N N . TYR A 1 82 ? -9.540 36.246 16.427 1.00 103.22 ? 110 TYR A N 1 ATOM 493 C CA . TYR A 1 82 ? -8.900 37.419 16.998 1.00 102.76 ? 110 TYR A CA 1 ATOM 494 C C . TYR A 1 82 ? -8.218 38.203 15.892 1.00 101.97 ? 110 TYR A C 1 ATOM 495 O O . TYR A 1 82 ? -7.728 37.618 14.933 1.00 103.75 ? 110 TYR A O 1 ATOM 496 C CB . TYR A 1 82 ? -7.835 37.021 18.039 1.00 102.77 ? 110 TYR A CB 1 ATOM 497 C CG . TYR A 1 82 ? -8.338 36.105 19.124 1.00 115.12 ? 110 TYR A CG 1 ATOM 498 C CD1 . TYR A 1 82 ? -8.404 34.731 18.924 1.00 107.40 ? 110 TYR A CD1 1 ATOM 499 C CD2 . TYR A 1 82 ? -8.737 36.617 20.370 1.00 104.93 ? 110 TYR A CD2 1 ATOM 500 C CE1 . TYR A 1 82 ? -8.873 33.882 19.924 1.00 112.11 ? 110 TYR A CE1 1 ATOM 501 C CE2 . TYR A 1 82 ? -9.206 35.773 21.381 1.00 106.65 ? 110 TYR A CE2 1 ATOM 502 C CZ . TYR A 1 82 ? -9.271 34.405 21.151 1.00 119.41 ? 110 TYR A CZ 1 ATOM 503 O OH . TYR A 1 82 ? -9.732 33.547 22.124 1.00 109.73 ? 110 TYR A OH 1 ATOM 504 N N . GLU A 1 83 ? -8.162 39.533 16.036 1.00 111.31 ? 111 GLU A N 1 ATOM 505 C CA . GLU A 1 83 ? -7.376 40.333 15.104 1.00 113.19 ? 111 GLU A CA 1 ATOM 506 C C . GLU A 1 83 ? -5.915 39.905 15.055 1.00 107.84 ? 111 GLU A C 1 ATOM 507 O O . GLU A 1 83 ? -5.340 39.494 16.069 1.00 101.39 ? 111 GLU A O 1 ATOM 508 C CB . GLU A 1 83 ? -7.498 41.841 15.331 1.00 102.40 ? 111 GLU A CB 1 ATOM 509 C CG . GLU A 1 83 ? -8.709 42.404 14.574 1.00 115.42 ? 111 GLU A CG 1 ATOM 510 C CD . GLU A 1 83 ? -8.821 43.921 14.604 1.00 124.84 ? 111 GLU A CD 1 ATOM 511 O OE1 . GLU A 1 83 ? -8.057 44.578 15.340 1.00 137.84 ? 111 GLU A OE1 1 ATOM 512 O OE2 . GLU A 1 83 ? -9.644 44.461 13.830 1.00 126.68 ? 111 GLU A OE2 1 ATOM 513 N N . CYS A 1 84 ? -5.402 39.803 13.830 1.00 101.64 ? 112 CYS A N 1 ATOM 514 C CA . CYS A 1 84 ? -4.095 39.229 13.592 1.00 101.87 ? 112 CYS A CA 1 ATOM 515 C C . CYS A 1 84 ? -2.937 40.117 14.013 1.00 105.18 ? 112 CYS A C 1 ATOM 516 O O . CYS A 1 84 ? -1.805 39.625 14.012 1.00 112.73 ? 112 CYS A O 1 ATOM 517 C CB . CYS A 1 84 ? -3.958 39.001 12.119 1.00 117.50 ? 112 CYS A CB 1 ATOM 518 S SG . CYS A 1 84 ? -5.277 37.977 11.538 1.00 141.30 ? 112 CYS A SG 1 ATOM 519 N N . ASP A 1 85 ? -3.179 41.390 14.394 1.00 102.53 ? 113 ASP A N 1 ATOM 520 C CA . ASP A 1 85 ? -2.105 42.185 15.004 1.00 116.72 ? 113 ASP A CA 1 ATOM 521 C C . ASP A 1 85 ? -1.647 41.532 16.291 1.00 114.99 ? 113 ASP A C 1 ATOM 522 O O . ASP A 1 85 ? -0.521 41.744 16.745 1.00 114.32 ? 113 ASP A O 1 ATOM 523 C CB . ASP A 1 85 ? -2.516 43.654 15.175 1.00 120.41 ? 113 ASP A CB 1 ATOM 524 C CG . ASP A 1 85 ? -3.802 43.833 15.935 1.00 135.30 ? 113 ASP A CG 1 ATOM 525 O OD1 . ASP A 1 85 ? -4.614 42.894 15.976 1.00 138.87 ? 113 ASP A OD1 1 ATOM 526 O OD2 . ASP A 1 85 ? -4.027 44.947 16.449 1.00 149.39 ? 113 ASP A OD2 1 ATOM 527 N N . ARG A 1 86 ? -2.544 40.830 16.930 1.00 113.03 ? 114 ARG A N 1 ATOM 528 C CA . ARG A 1 86 ? -2.572 40.580 18.363 1.00 115.71 ? 114 ARG A CA 1 ATOM 529 C C . ARG A 1 86 ? -1.590 39.439 18.566 1.00 126.84 ? 114 ARG A C 1 ATOM 530 O O . ARG A 1 86 ? -1.793 38.565 19.412 1.00 99.04 ? 114 ARG A O 1 ATOM 531 C CB . ARG A 1 86 ? -3.960 40.241 18.906 1.00 101.23 ? 114 ARG A CB 1 ATOM 532 C CG . ARG A 1 86 ? -4.013 40.307 20.426 1.00 116.19 ? 114 ARG A CG 1 ATOM 533 C CD . ARG A 1 86 ? -5.246 39.675 21.094 1.00 126.63 ? 114 ARG A CD 1 ATOM 534 N NE . ARG A 1 86 ? -6.532 40.328 20.879 1.00 134.52 ? 114 ARG A NE 1 ATOM 535 C CZ . ARG A 1 86 ? -7.610 40.077 21.619 1.00 135.75 ? 114 ARG A CZ 1 ATOM 536 N NH1 . ARG A 1 86 ? -7.546 39.196 22.609 1.00 136.82 ? 114 ARG A NH1 1 ATOM 537 N NH2 . ARG A 1 86 ? -8.754 40.697 21.369 1.00 139.31 ? 114 ARG A NH2 1 ATOM 538 N N . GLU A 1 87 ? -0.499 39.430 17.785 1.00 160.90 ? 115 GLU A N 1 ATOM 539 C CA . GLU A 1 87 ? 0.523 38.464 18.125 1.00 174.79 ? 115 GLU A CA 1 ATOM 540 C C . GLU A 1 87 ? 1.100 38.789 19.485 1.00 172.84 ? 115 GLU A C 1 ATOM 541 O O . GLU A 1 87 ? 1.801 39.769 19.766 1.00 180.68 ? 115 GLU A O 1 ATOM 542 C CB . GLU A 1 87 ? 1.608 38.439 17.042 1.00 181.45 ? 115 GLU A CB 1 ATOM 543 N N . ALA A 1 88 ? 0.668 37.841 20.302 1.00 158.47 ? 116 ALA A N 1 ATOM 544 C CA . ALA A 1 88 ? 0.581 37.606 21.726 1.00 148.39 ? 116 ALA A CA 1 ATOM 545 C C . ALA A 1 88 ? -0.340 36.396 21.592 1.00 136.81 ? 116 ALA A C 1 ATOM 546 O O . ALA A 1 88 ? -0.550 35.936 20.455 1.00 121.17 ? 116 ALA A O 1 ATOM 547 C CB . ALA A 1 88 ? -0.024 38.769 22.516 1.00 129.20 ? 116 ALA A CB 1 ATOM 548 N N . LEU A 1 89 ? -0.866 35.841 22.682 1.00 150.79 ? 117 LEU A N 1 ATOM 549 C CA . LEU A 1 89 ? -1.838 34.745 22.581 1.00 150.47 ? 117 LEU A CA 1 ATOM 550 C C . LEU A 1 89 ? -1.104 33.571 21.954 1.00 154.49 ? 117 LEU A C 1 ATOM 551 O O . LEU A 1 89 ? -0.089 33.121 22.514 1.00 166.38 ? 117 LEU A O 1 ATOM 552 C CB . LEU A 1 89 ? -3.074 35.200 21.796 1.00 142.54 ? 117 LEU A CB 1 ATOM 553 C CG . LEU A 1 89 ? -4.201 35.983 22.437 1.00 143.40 ? 117 LEU A CG 1 ATOM 554 C CD1 . LEU A 1 89 ? -3.670 37.319 22.876 1.00 150.25 ? 117 LEU A CD1 1 ATOM 555 C CD2 . LEU A 1 89 ? -5.326 36.138 21.437 1.00 139.54 ? 117 LEU A CD2 1 ATOM 556 N N . ASN A 1 90 ? -1.564 33.036 20.836 1.00 146.75 ? 118 ASN A N 1 ATOM 557 C CA . ASN A 1 90 ? -0.740 32.109 20.090 1.00 134.75 ? 118 ASN A CA 1 ATOM 558 C C . ASN A 1 90 ? -0.689 32.480 18.618 1.00 122.70 ? 118 ASN A C 1 ATOM 559 O O . ASN A 1 90 ? 0.297 33.014 18.099 1.00 127.05 ? 118 ASN A O 1 ATOM 560 C CB . ASN A 1 90 ? -1.319 30.702 20.242 1.00 136.80 ? 118 ASN A CB 1 ATOM 561 C CG . ASN A 1 90 ? -0.579 29.668 19.434 1.00 142.78 ? 118 ASN A CG 1 ATOM 562 O OD1 . ASN A 1 90 ? 0.601 29.830 19.125 1.00 149.75 ? 118 ASN A OD1 1 ATOM 563 N ND2 . ASN A 1 90 ? -1.279 28.595 19.067 1.00 139.87 ? 118 ASN A ND2 1 ATOM 564 N N . LEU A 1 91 ? -1.794 32.175 17.965 1.00 117.54 ? 119 LEU A N 1 ATOM 565 C CA . LEU A 1 91 ? -2.147 32.363 16.564 1.00 104.00 ? 119 LEU A CA 1 ATOM 566 C C . LEU A 1 91 ? -1.149 31.590 15.698 1.00 106.22 ? 119 LEU A C 1 ATOM 567 O O . LEU A 1 91 ? -1.298 31.553 14.476 1.00 111.70 ? 119 LEU A O 1 ATOM 568 C CB . LEU A 1 91 ? -2.173 33.855 16.160 1.00 95.92 ? 119 LEU A CB 1 ATOM 569 C CG . LEU A 1 91 ? -2.876 34.958 16.985 1.00 91.71 ? 119 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 91 ? -2.750 36.313 16.308 1.00 93.65 ? 119 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 91 ? -4.335 34.670 17.358 1.00 89.90 ? 119 LEU A CD2 1 ATOM 572 N N . ARG A 1 92 ? -0.136 30.964 16.316 1.00 98.13 ? 120 ARG A N 1 ATOM 573 C CA . ARG A 1 92 ? 0.891 30.220 15.594 1.00 99.22 ? 120 ARG A CA 1 ATOM 574 C C . ARG A 1 92 ? 0.373 28.801 15.420 1.00 93.91 ? 120 ARG A C 1 ATOM 575 O O . ARG A 1 92 ? 0.200 28.098 16.418 1.00 93.47 ? 120 ARG A O 1 ATOM 576 C CB . ARG A 1 92 ? 2.236 30.232 16.315 1.00 107.30 ? 120 ARG A CB 1 ATOM 577 N N . TRP A 1 93 ? 0.224 28.346 14.190 1.00 102.89 ? 121 TRP A N 1 ATOM 578 C CA . TRP A 1 93 ? -0.141 26.963 13.890 1.00 97.89 ? 121 TRP A CA 1 ATOM 579 C C . TRP A 1 93 ? 0.808 26.354 12.886 1.00 94.56 ? 121 TRP A C 1 ATOM 580 O O . TRP A 1 93 ? 1.410 27.073 12.082 1.00 99.19 ? 121 TRP A O 1 ATOM 581 C CB . TRP A 1 93 ? -1.544 26.770 13.407 1.00 91.88 ? 121 TRP A CB 1 ATOM 582 C CG . TRP A 1 93 ? -2.451 26.604 14.538 1.00 103.37 ? 121 TRP A CG 1 ATOM 583 C CD1 . TRP A 1 93 ? -2.639 25.466 15.275 1.00 110.92 ? 121 TRP A CD1 1 ATOM 584 C CD2 . TRP A 1 93 ? -3.328 27.581 15.076 1.00 105.25 ? 121 TRP A CD2 1 ATOM 585 N NE1 . TRP A 1 93 ? -3.580 25.682 16.257 1.00 114.97 ? 121 TRP A NE1 1 ATOM 586 C CE2 . TRP A 1 93 ? -4.024 26.973 16.154 1.00 115.42 ? 121 TRP A CE2 1 ATOM 587 C CE3 . TRP A 1 93 ? -3.596 28.909 14.760 1.00 94.72 ? 121 TRP A CE3 1 ATOM 588 C CZ2 . TRP A 1 93 ? -4.961 27.653 16.908 1.00 110.51 ? 121 TRP A CZ2 1 ATOM 589 C CZ3 . TRP A 1 93 ? -4.508 29.570 15.497 1.00 102.25 ? 121 TRP A CZ3 1 ATOM 590 C CH2 . TRP A 1 93 ? -5.178 28.954 16.578 1.00 112.63 ? 121 TRP A CH2 1 ATOM 591 N N . HIS A 1 94 ? 1.071 25.067 13.062 1.00 92.32 ? 122 HIS A N 1 ATOM 592 C CA . HIS A 1 94 ? 1.890 24.320 12.130 1.00 107.16 ? 122 HIS A CA 1 ATOM 593 C C . HIS A 1 94 ? 1.005 23.293 11.431 1.00 114.20 ? 122 HIS A C 1 ATOM 594 O O . HIS A 1 94 ? 0.244 22.587 12.090 1.00 124.00 ? 122 HIS A O 1 ATOM 595 C CB . HIS A 1 94 ? 3.046 23.723 12.907 1.00 116.50 ? 122 HIS A CB 1 ATOM 596 C CG . HIS A 1 94 ? 3.952 24.788 13.436 1.00 140.04 ? 122 HIS A CG 1 ATOM 597 N ND1 . HIS A 1 94 ? 3.733 25.397 14.654 1.00 150.24 ? 122 HIS A ND1 1 ATOM 598 C CD2 . HIS A 1 94 ? 5.005 25.431 12.877 1.00 151.31 ? 122 HIS A CD2 1 ATOM 599 C CE1 . HIS A 1 94 ? 4.648 26.330 14.849 1.00 158.81 ? 122 HIS A CE1 1 ATOM 600 N NE2 . HIS A 1 94 ? 5.432 26.372 13.785 1.00 158.60 ? 122 HIS A NE2 1 ATOM 601 N N . CYS A 1 95 ? 1.069 23.242 10.099 1.00 104.10 ? 123 CYS A N 1 ATOM 602 C CA . CYS A 1 95 ? 0.091 22.453 9.346 1.00 105.98 ? 123 CYS A CA 1 ATOM 603 C C . CYS A 1 95 ? 0.152 20.949 9.604 1.00 104.06 ? 123 CYS A C 1 ATOM 604 O O . CYS A 1 95 ? -0.847 20.263 9.364 1.00 103.39 ? 123 CYS A O 1 ATOM 605 C CB . CYS A 1 95 ? 0.251 22.671 7.841 1.00 104.37 ? 123 CYS A CB 1 ATOM 606 S SG . CYS A 1 95 ? 1.854 22.128 7.190 1.00 125.60 ? 123 CYS A SG 1 ATOM 607 N N . ARG A 1 96 ? 1.296 20.402 10.030 1.00 109.45 ? 124 ARG A N 1 ATOM 608 C CA . ARG A 1 96 ? 1.353 18.963 10.302 1.00 111.06 ? 124 ARG A CA 1 ATOM 609 C C . ARG A 1 96 ? 0.573 18.584 11.555 1.00 107.16 ? 124 ARG A C 1 ATOM 610 O O . ARG A 1 96 ? -0.052 17.518 11.617 1.00 103.91 ? 124 ARG A O 1 ATOM 611 C CB . ARG A 1 96 ? 2.789 18.472 10.432 1.00 114.84 ? 124 ARG A CB 1 ATOM 612 C CG . ARG A 1 96 ? 3.460 18.487 9.112 1.00 118.73 ? 124 ARG A CG 1 ATOM 613 C CD . ARG A 1 96 ? 2.697 17.667 8.121 1.00 125.77 ? 124 ARG A CD 1 ATOM 614 N NE . ARG A 1 96 ? 2.559 16.239 8.328 1.00 132.15 ? 124 ARG A NE 1 ATOM 615 C CZ . ARG A 1 96 ? 2.241 15.426 7.323 1.00 128.54 ? 124 ARG A CZ 1 ATOM 616 N NH1 . ARG A 1 96 ? 2.056 15.938 6.105 1.00 112.59 ? 124 ARG A NH1 1 ATOM 617 N NH2 . ARG A 1 96 ? 2.101 14.121 7.522 1.00 132.78 ? 124 ARG A NH2 1 ATOM 618 N N . THR A 1 97 ? 0.611 19.440 12.559 1.00 107.90 ? 125 THR A N 1 ATOM 619 C CA . THR A 1 97 ? -0.017 19.201 13.844 1.00 114.04 ? 125 THR A CA 1 ATOM 620 C C . THR A 1 97 ? -1.384 19.843 13.960 1.00 114.00 ? 125 THR A C 1 ATOM 621 O O . THR A 1 97 ? -2.068 19.653 14.978 1.00 123.32 ? 125 THR A O 1 ATOM 622 C CB . THR A 1 97 ? 0.882 19.784 14.936 1.00 109.92 ? 125 THR A CB 1 ATOM 623 O OG1 . THR A 1 97 ? 0.369 19.458 16.230 1.00 122.90 ? 125 THR A OG1 1 ATOM 624 C CG2 . THR A 1 97 ? 0.920 21.303 14.793 1.00 101.09 ? 125 THR A CG2 1 ATOM 625 N N . LEU A 1 98 ? -1.821 20.552 12.922 1.00 97.21 ? 126 LEU A N 1 ATOM 626 C CA . LEU A 1 98 ? -3.027 21.348 13.058 1.00 89.44 ? 126 LEU A CA 1 ATOM 627 C C . LEU A 1 98 ? -4.211 20.438 13.337 1.00 102.40 ? 126 LEU A C 1 ATOM 628 O O . LEU A 1 98 ? -5.047 20.739 14.201 1.00 105.18 ? 126 LEU A O 1 ATOM 629 C CB . LEU A 1 98 ? -3.234 22.186 11.800 1.00 93.05 ? 126 LEU A CB 1 ATOM 630 C CG . LEU A 1 98 ? -4.508 23.008 11.756 1.00 88.94 ? 126 LEU A CG 1 ATOM 631 C CD1 . LEU A 1 98 ? -4.512 23.869 13.004 1.00 83.40 ? 126 LEU A CD1 1 ATOM 632 C CD2 . LEU A 1 98 ? -4.521 23.876 10.545 1.00 88.19 ? 126 LEU A CD2 1 ATOM 633 N N . GLY A 1 99 ? -4.300 19.321 12.604 1.00 103.01 ? 127 GLY A N 1 ATOM 634 C CA . GLY A 1 99 ? -5.398 18.388 12.806 1.00 111.18 ? 127 GLY A CA 1 ATOM 635 C C . GLY A 1 99 ? -5.453 17.835 14.222 1.00 131.44 ? 127 GLY A C 1 ATOM 636 O O . GLY A 1 99 ? -6.509 17.842 14.866 1.00 137.53 ? 127 GLY A O 1 ATOM 637 N N . ASP A 1 100 ? -4.311 17.343 14.728 1.00 131.76 ? 128 ASP A N 1 ATOM 638 C CA . ASP A 1 100 ? -4.270 16.839 16.101 1.00 130.95 ? 128 ASP A CA 1 ATOM 639 C C . ASP A 1 100 ? -4.714 17.888 17.101 1.00 136.28 ? 128 ASP A C 1 ATOM 640 O O . ASP A 1 100 ? -5.420 17.572 18.071 1.00 139.43 ? 128 ASP A O 1 ATOM 641 C CB . ASP A 1 100 ? -2.850 16.407 16.460 1.00 124.59 ? 128 ASP A CB 1 ATOM 642 C CG . ASP A 1 100 ? -2.391 15.213 15.688 1.00 124.84 ? 128 ASP A CG 1 ATOM 643 O OD1 . ASP A 1 100 ? -3.246 14.429 15.214 1.00 114.21 ? 128 ASP A OD1 1 ATOM 644 O OD2 . ASP A 1 100 ? -1.158 15.087 15.531 1.00 132.68 ? 128 ASP A OD2 1 ATOM 645 N N . GLN A 1 101 ? -4.379 19.157 16.845 1.00 135.30 ? 129 GLN A N 1 ATOM 646 C CA . GLN A 1 101 ? -4.781 20.191 17.793 1.00 130.30 ? 129 GLN A CA 1 ATOM 647 C C . GLN A 1 101 ? -6.281 20.450 17.710 1.00 119.55 ? 129 GLN A C 1 ATOM 648 O O . GLN A 1 101 ? -6.919 20.691 18.741 1.00 127.11 ? 129 GLN A O 1 ATOM 649 C CB . GLN A 1 101 ? -3.929 21.451 17.614 1.00 123.82 ? 129 GLN A CB 1 ATOM 650 C CG . GLN A 1 101 ? -2.468 21.168 17.987 1.00 131.68 ? 129 GLN A CG 1 ATOM 651 C CD . GLN A 1 101 ? -1.523 22.343 17.801 1.00 139.77 ? 129 GLN A CD 1 ATOM 652 O OE1 . GLN A 1 101 ? -1.777 23.258 17.017 1.00 141.93 ? 129 GLN A OE1 1 ATOM 653 N NE2 . GLN A 1 101 ? -0.415 22.316 18.531 1.00 142.64 ? 129 GLN A NE2 1 ATOM 654 N N . LEU A 1 102 ? -6.853 20.511 16.500 1.00 95.31 ? 130 LEU A N 1 ATOM 655 C CA . LEU A 1 102 ? -8.305 20.662 16.425 1.00 97.18 ? 130 LEU A CA 1 ATOM 656 C C . LEU A 1 102 ? -9.019 19.510 17.134 1.00 111.97 ? 130 LEU A C 1 ATOM 657 O O . LEU A 1 102 ? -10.020 19.726 17.831 1.00 117.92 ? 130 LEU A O 1 ATOM 658 C CB . LEU A 1 102 ? -8.797 20.817 14.990 1.00 97.56 ? 130 LEU A CB 1 ATOM 659 C CG . LEU A 1 102 ? -8.328 22.026 14.182 1.00 94.22 ? 130 LEU A CG 1 ATOM 660 C CD1 . LEU A 1 102 ? -8.977 21.957 12.817 1.00 86.86 ? 130 LEU A CD1 1 ATOM 661 C CD2 . LEU A 1 102 ? -8.725 23.307 14.897 1.00 86.48 ? 130 LEU A CD2 1 ATOM 662 N N . SER A 1 103 ? -8.536 18.273 16.944 1.00 125.81 ? 131 SER A N 1 ATOM 663 C CA . SER A 1 103 ? -9.132 17.129 17.639 1.00 136.54 ? 131 SER A CA 1 ATOM 664 C C . SER A 1 103 ? -9.055 17.298 19.152 1.00 134.87 ? 131 SER A C 1 ATOM 665 O O . SER A 1 103 ? -10.008 16.965 19.872 1.00 135.94 ? 131 SER A O 1 ATOM 666 C CB . SER A 1 103 ? -8.477 15.813 17.200 1.00 142.35 ? 131 SER A CB 1 ATOM 667 O OG . SER A 1 103 ? -8.635 15.576 15.807 1.00 136.55 ? 131 SER A OG 1 ATOM 668 N N . LEU A 1 104 ? -7.930 17.804 19.659 1.00 123.91 ? 132 LEU A N 1 ATOM 669 C CA . LEU A 1 104 ? -7.803 17.890 21.109 1.00 125.84 ? 132 LEU A CA 1 ATOM 670 C C . LEU A 1 104 ? -8.626 19.038 21.676 1.00 126.32 ? 132 LEU A C 1 ATOM 671 O O . LEU A 1 104 ? -9.280 18.871 22.709 1.00 129.29 ? 132 LEU A O 1 ATOM 672 C CB . LEU A 1 104 ? -6.343 18.082 21.516 1.00 124.40 ? 132 LEU A CB 1 ATOM 673 C CG . LEU A 1 104 ? -5.433 16.864 21.519 1.00 130.33 ? 132 LEU A CG 1 ATOM 674 C CD1 . LEU A 1 104 ? -4.220 17.158 22.395 1.00 125.41 ? 132 LEU A CD1 1 ATOM 675 C CD2 . LEU A 1 104 ? -6.197 15.636 22.003 1.00 138.22 ? 132 LEU A CD2 1 ATOM 676 N N . LEU A 1 105 ? -8.625 20.203 21.014 1.00 104.88 ? 133 LEU A N 1 ATOM 677 C CA . LEU A 1 105 ? -9.313 21.366 21.565 1.00 107.47 ? 133 LEU A CA 1 ATOM 678 C C . LEU A 1 105 ? -10.785 21.503 21.180 1.00 124.17 ? 133 LEU A C 1 ATOM 679 O O . LEU A 1 105 ? -11.500 22.264 21.846 1.00 137.91 ? 133 LEU A O 1 ATOM 680 C CB . LEU A 1 105 ? -8.650 22.670 21.095 1.00 92.79 ? 133 LEU A CB 1 ATOM 681 C CG . LEU A 1 105 ? -7.200 23.138 21.245 1.00 88.03 ? 133 LEU A CG 1 ATOM 682 C CD1 . LEU A 1 105 ? -6.933 24.136 20.137 1.00 79.53 ? 133 LEU A CD1 1 ATOM 683 C CD2 . LEU A 1 105 ? -6.923 23.789 22.589 1.00 88.33 ? 133 LEU A CD2 1 ATOM 684 N N . LEU A 1 106 ? -11.282 20.816 20.155 1.00 124.86 ? 134 LEU A N 1 ATOM 685 C CA . LEU A 1 106 ? -12.659 21.137 19.789 1.00 132.08 ? 134 LEU A CA 1 ATOM 686 C C . LEU A 1 106 ? -13.655 20.532 20.787 1.00 145.07 ? 134 LEU A C 1 ATOM 687 O O . LEU A 1 106 ? -14.097 19.389 20.635 1.00 153.35 ? 134 LEU A O 1 ATOM 688 C CB . LEU A 1 106 ? -13.003 20.726 18.363 1.00 131.81 ? 134 LEU A CB 1 ATOM 689 C CG . LEU A 1 106 ? -14.185 21.654 18.029 1.00 135.03 ? 134 LEU A CG 1 ATOM 690 C CD1 . LEU A 1 106 ? -13.716 23.112 17.956 1.00 135.30 ? 134 LEU A CD1 1 ATOM 691 C CD2 . LEU A 1 106 ? -14.935 21.282 16.783 1.00 133.35 ? 134 LEU A CD2 1 ATOM 692 N N . GLN A 1 129 ? -8.061 12.477 10.513 1.00 114.51 ? 157 GLN A N 1 ATOM 693 C CA . GLN A 1 129 ? -9.275 13.186 10.917 1.00 124.68 ? 157 GLN A CA 1 ATOM 694 C C . GLN A 1 129 ? -9.574 14.339 9.964 1.00 116.36 ? 157 GLN A C 1 ATOM 695 O O . GLN A 1 129 ? -10.637 14.379 9.351 1.00 118.88 ? 157 GLN A O 1 ATOM 696 C CB . GLN A 1 129 ? -9.150 13.709 12.361 1.00 134.38 ? 157 GLN A CB 1 ATOM 697 C CG . GLN A 1 129 ? -9.105 12.605 13.394 1.00 138.70 ? 157 GLN A CG 1 ATOM 698 C CD . GLN A 1 129 ? -10.462 11.969 13.589 1.00 138.34 ? 157 GLN A CD 1 ATOM 699 O OE1 . GLN A 1 129 ? -10.832 10.988 12.925 1.00 145.47 ? 157 GLN A OE1 1 ATOM 700 N NE2 . GLN A 1 129 ? -11.216 12.527 14.516 1.00 134.56 ? 157 GLN A NE2 1 ATOM 701 N N . TRP A 1 130 ? -8.639 15.276 9.830 1.00 105.57 ? 158 TRP A N 1 ATOM 702 C CA . TRP A 1 130 ? -8.906 16.538 9.153 1.00 102.46 ? 158 TRP A CA 1 ATOM 703 C C . TRP A 1 130 ? -8.162 16.596 7.825 1.00 97.08 ? 158 TRP A C 1 ATOM 704 O O . TRP A 1 130 ? -7.008 16.171 7.725 1.00 105.56 ? 158 TRP A O 1 ATOM 705 C CB . TRP A 1 130 ? -8.512 17.728 10.037 1.00 96.03 ? 158 TRP A CB 1 ATOM 706 C CG . TRP A 1 130 ? -9.321 17.882 11.329 1.00 95.45 ? 158 TRP A CG 1 ATOM 707 C CD1 . TRP A 1 130 ? -9.049 17.291 12.532 1.00 92.45 ? 158 TRP A CD1 1 ATOM 708 C CD2 . TRP A 1 130 ? -10.474 18.725 11.554 1.00 101.29 ? 158 TRP A CD2 1 ATOM 709 N NE1 . TRP A 1 130 ? -9.975 17.678 13.475 1.00 95.53 ? 158 TRP A NE1 1 ATOM 710 C CE2 . TRP A 1 130 ? -10.857 18.558 12.907 1.00 94.35 ? 158 TRP A CE2 1 ATOM 711 C CE3 . TRP A 1 130 ? -11.226 19.589 10.742 1.00 104.92 ? 158 TRP A CE3 1 ATOM 712 C CZ2 . TRP A 1 130 ? -11.954 19.224 13.468 1.00 84.12 ? 158 TRP A CZ2 1 ATOM 713 C CZ3 . TRP A 1 130 ? -12.326 20.253 11.306 1.00 98.39 ? 158 TRP A CZ3 1 ATOM 714 C CH2 . TRP A 1 130 ? -12.672 20.066 12.655 1.00 88.91 ? 158 TRP A CH2 1 ATOM 715 N N . ARG A 1 131 ? -8.846 17.094 6.800 1.00 84.70 ? 159 ARG A N 1 ATOM 716 C CA . ARG A 1 131 ? -8.285 17.254 5.471 1.00 85.15 ? 159 ARG A CA 1 ATOM 717 C C . ARG A 1 131 ? -8.812 18.543 4.870 1.00 84.42 ? 159 ARG A C 1 ATOM 718 O O . ARG A 1 131 ? -9.747 19.160 5.388 1.00 80.85 ? 159 ARG A O 1 ATOM 719 C CB . ARG A 1 131 ? -8.642 16.074 4.563 1.00 86.30 ? 159 ARG A CB 1 ATOM 720 C CG . ARG A 1 131 ? -8.054 14.751 4.982 1.00 93.73 ? 159 ARG A CG 1 ATOM 721 C CD . ARG A 1 131 ? -6.587 14.695 4.630 1.00 112.38 ? 159 ARG A CD 1 ATOM 722 N NE . ARG A 1 131 ? -6.017 13.386 4.915 1.00 130.52 ? 159 ARG A NE 1 ATOM 723 C CZ . ARG A 1 131 ? -5.413 13.075 6.057 1.00 144.95 ? 159 ARG A CZ 1 ATOM 724 N NH1 . ARG A 1 131 ? -5.291 13.989 7.015 1.00 146.19 ? 159 ARG A NH1 1 ATOM 725 N NH2 . ARG A 1 131 ? -4.924 11.853 6.235 1.00 149.06 ? 159 ARG A NH2 1 ATOM 726 N N . ILE A 1 132 ? -8.205 18.947 3.756 1.00 77.65 ? 160 ILE A N 1 ATOM 727 C CA . ILE A 1 132 ? -8.796 19.999 2.948 1.00 77.62 ? 160 ILE A CA 1 ATOM 728 C C . ILE A 1 132 ? -10.067 19.468 2.307 1.00 90.57 ? 160 ILE A C 1 ATOM 729 O O . ILE A 1 132 ? -10.112 18.330 1.821 1.00 94.20 ? 160 ILE A O 1 ATOM 730 C CB . ILE A 1 132 ? -7.797 20.491 1.892 1.00 77.63 ? 160 ILE A CB 1 ATOM 731 C CG1 . ILE A 1 132 ? -6.661 21.252 2.568 1.00 77.44 ? 160 ILE A CG1 1 ATOM 732 C CG2 . ILE A 1 132 ? -8.509 21.322 0.840 1.00 77.75 ? 160 ILE A CG2 1 ATOM 733 C CD1 . ILE A 1 132 ? -5.552 21.565 1.674 1.00 77.54 ? 160 ILE A CD1 1 ATOM 734 N N . TYR A 1 133 ? -11.117 20.279 2.321 1.00 81.58 ? 161 TYR A N 1 ATOM 735 C CA . TYR A 1 133 ? -12.416 19.800 1.879 1.00 78.10 ? 161 TYR A CA 1 ATOM 736 C C . TYR A 1 133 ? -12.423 19.520 0.382 1.00 85.77 ? 161 TYR A C 1 ATOM 737 O O . TYR A 1 133 ? -12.047 20.370 -0.436 1.00 89.37 ? 161 TYR A O 1 ATOM 738 C CB . TYR A 1 133 ? -13.500 20.811 2.220 1.00 78.20 ? 161 TYR A CB 1 ATOM 739 C CG . TYR A 1 133 ? -14.810 20.522 1.532 1.00 83.80 ? 161 TYR A CG 1 ATOM 740 C CD1 . TYR A 1 133 ? -15.700 19.570 2.029 1.00 78.70 ? 161 TYR A CD1 1 ATOM 741 C CD2 . TYR A 1 133 ? -15.153 21.198 0.362 1.00 78.65 ? 161 TYR A CD2 1 ATOM 742 C CE1 . TYR A 1 133 ? -16.894 19.316 1.377 1.00 89.41 ? 161 TYR A CE1 1 ATOM 743 C CE2 . TYR A 1 133 ? -16.337 20.949 -0.293 1.00 78.96 ? 161 TYR A CE2 1 ATOM 744 C CZ . TYR A 1 133 ? -17.206 20.010 0.209 1.00 89.48 ? 161 TYR A CZ 1 ATOM 745 O OH . TYR A 1 133 ? -18.389 19.779 -0.471 1.00 85.56 ? 161 TYR A OH 1 ATOM 746 N N . GLY A 1 134 ? -12.857 18.318 0.030 1.00 84.10 ? 162 GLY A N 1 ATOM 747 C CA . GLY A 1 134 ? -13.157 17.945 -1.323 1.00 83.20 ? 162 GLY A CA 1 ATOM 748 C C . GLY A 1 134 ? -11.990 17.379 -2.099 1.00 78.76 ? 162 GLY A C 1 ATOM 749 O O . GLY A 1 134 ? -12.185 16.489 -2.919 1.00 89.30 ? 162 GLY A O 1 ATOM 750 N N . SER A 1 135 ? -10.784 17.837 -1.848 1.00 80.20 ? 163 SER A N 1 ATOM 751 C CA . SER A 1 135 ? -9.645 17.113 -2.384 1.00 89.70 ? 163 SER A CA 1 ATOM 752 C C . SER A 1 135 ? -9.130 16.087 -1.398 1.00 87.50 ? 163 SER A C 1 ATOM 753 O O . SER A 1 135 ? -8.356 15.202 -1.781 1.00 86.52 ? 163 SER A O 1 ATOM 754 C CB . SER A 1 135 ? -8.526 18.084 -2.768 1.00 83.93 ? 163 SER A CB 1 ATOM 755 O OG . SER A 1 135 ? -8.076 18.763 -1.625 1.00 78.41 ? 163 SER A OG 1 ATOM 756 N N . GLU A 1 136 ? -9.566 16.189 -0.147 1.00 87.10 ? 164 GLU A N 1 ATOM 757 C CA . GLU A 1 136 ? -9.170 15.274 0.918 1.00 82.29 ? 164 GLU A CA 1 ATOM 758 C C . GLU A 1 136 ? -7.652 15.209 1.089 1.00 80.45 ? 164 GLU A C 1 ATOM 759 O O . GLU A 1 136 ? -7.119 14.238 1.627 1.00 84.74 ? 164 GLU A O 1 ATOM 760 C CB . GLU A 1 136 ? -9.784 13.897 0.684 1.00 81.08 ? 164 GLU A CB 1 ATOM 761 C CG . GLU A 1 136 ? -11.309 13.923 0.884 1.00 92.92 ? 164 GLU A CG 1 ATOM 762 C CD . GLU A 1 136 ? -12.026 12.601 0.582 1.00 99.08 ? 164 GLU A CD 1 ATOM 763 O OE1 . GLU A 1 136 ? -11.407 11.676 0.006 1.00 92.33 ? 164 GLU A OE1 1 ATOM 764 O OE2 . GLU A 1 136 ? -13.227 12.497 0.926 1.00 107.52 ? 164 GLU A OE2 1 ATOM 765 N N . GLU A 1 137 ? -6.933 16.252 0.692 1.00 78.38 ? 165 GLU A N 1 ATOM 766 C CA . GLU A 1 137 ? -5.494 16.202 0.873 1.00 82.56 ? 165 GLU A CA 1 ATOM 767 C C . GLU A 1 137 ? -5.083 16.765 2.242 1.00 84.37 ? 165 GLU A C 1 ATOM 768 O O . GLU A 1 137 ? -5.892 17.328 2.988 1.00 85.27 ? 165 GLU A O 1 ATOM 769 C CB . GLU A 1 137 ? -4.809 16.926 -0.295 1.00 89.25 ? 165 GLU A CB 1 ATOM 770 C CG . GLU A 1 137 ? -5.246 18.355 -0.526 1.00 87.82 ? 165 GLU A CG 1 ATOM 771 C CD . GLU A 1 137 ? -4.839 18.880 -1.901 1.00 97.88 ? 165 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 137 ? -3.920 18.311 -2.531 1.00 113.36 ? 165 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 137 ? -5.462 19.855 -2.371 1.00 91.03 ? 165 GLU A OE2 1 ATOM 774 N N . ASP A 1 138 ? -3.793 16.628 2.561 1.00 86.04 ? 166 ASP A N 1 ATOM 775 C CA . ASP A 1 138 ? -3.337 16.980 3.893 1.00 85.43 ? 166 ASP A CA 1 ATOM 776 C C . ASP A 1 138 ? -3.339 18.497 4.023 1.00 91.67 ? 166 ASP A C 1 ATOM 777 O O . ASP A 1 138 ? -3.574 19.231 3.062 1.00 96.02 ? 166 ASP A O 1 ATOM 778 C CB . ASP A 1 138 ? -1.964 16.363 4.193 1.00 86.05 ? 166 ASP A CB 1 ATOM 779 C CG . ASP A 1 138 ? -0.819 16.998 3.412 1.00 117.88 ? 166 ASP A CG 1 ATOM 780 O OD1 . ASP A 1 138 ? -0.975 18.076 2.801 1.00 132.29 ? 166 ASP A OD1 1 ATOM 781 O OD2 . ASP A 1 138 ? 0.279 16.401 3.417 1.00 133.50 ? 166 ASP A OD2 1 ATOM 782 N N . LEU A 1 139 ? -3.045 18.985 5.215 1.00 95.29 ? 167 LEU A N 1 ATOM 783 C CA . LEU A 1 139 ? -3.310 20.389 5.479 1.00 87.24 ? 167 LEU A CA 1 ATOM 784 C C . LEU A 1 139 ? -2.120 21.265 5.107 1.00 85.29 ? 167 LEU A C 1 ATOM 785 O O . LEU A 1 139 ? -2.205 22.499 5.199 1.00 77.05 ? 167 LEU A O 1 ATOM 786 C CB . LEU A 1 139 ? -3.734 20.571 6.942 1.00 82.29 ? 167 LEU A CB 1 ATOM 787 C CG . LEU A 1 139 ? -5.174 20.074 7.158 1.00 77.27 ? 167 LEU A CG 1 ATOM 788 C CD1 . LEU A 1 139 ? -5.248 18.556 7.093 1.00 96.36 ? 167 LEU A CD1 1 ATOM 789 C CD2 . LEU A 1 139 ? -5.803 20.544 8.431 1.00 77.27 ? 167 LEU A CD2 1 ATOM 790 N N . CYS A 1 140 ? -1.043 20.653 4.618 1.00 86.23 ? 168 CYS A N 1 ATOM 791 C CA . CYS A 1 140 ? 0.119 21.372 4.123 1.00 95.47 ? 168 CYS A CA 1 ATOM 792 C C . CYS A 1 140 ? 0.054 21.644 2.617 1.00 88.60 ? 168 CYS A C 1 ATOM 793 O O . CYS A 1 140 ? 0.936 22.314 2.074 1.00 85.21 ? 168 CYS A O 1 ATOM 794 C CB . CYS A 1 140 ? 1.371 20.578 4.492 1.00 119.01 ? 168 CYS A CB 1 ATOM 795 S SG . CYS A 1 140 ? 1.497 20.302 6.298 1.00 143.36 ? 168 CYS A SG 1 ATOM 796 N N . ALA A 1 141 ? -1.004 21.196 1.949 1.00 81.45 ? 169 ALA A N 1 ATOM 797 C CA . ALA A 1 141 ? -1.113 21.303 0.503 1.00 78.11 ? 169 ALA A CA 1 ATOM 798 C C . ALA A 1 141 ? -1.186 22.737 -0.021 1.00 84.44 ? 169 ALA A C 1 ATOM 799 O O . ALA A 1 141 ? -0.854 22.955 -1.187 1.00 85.98 ? 169 ALA A O 1 ATOM 800 C CB . ALA A 1 141 ? -2.341 20.527 0.036 1.00 78.17 ? 169 ALA A CB 1 ATOM 801 N N . LEU A 1 142 ? -1.635 23.715 0.765 1.00 77.78 ? 170 LEU A N 1 ATOM 802 C CA . LEU A 1 142 ? -1.748 25.101 0.298 1.00 77.84 ? 170 LEU A CA 1 ATOM 803 C C . LEU A 1 142 ? -0.984 26.004 1.257 1.00 85.78 ? 170 LEU A C 1 ATOM 804 O O . LEU A 1 142 ? -1.571 26.777 2.036 1.00 82.92 ? 170 LEU A O 1 ATOM 805 C CB . LEU A 1 142 ? -3.208 25.538 0.150 1.00 77.78 ? 170 LEU A CB 1 ATOM 806 C CG . LEU A 1 142 ? -4.103 24.828 -0.881 1.00 87.14 ? 170 LEU A CG 1 ATOM 807 C CD1 . LEU A 1 142 ? -5.515 25.290 -0.729 1.00 85.82 ? 170 LEU A CD1 1 ATOM 808 C CD2 . LEU A 1 142 ? -3.678 25.039 -2.330 1.00 78.50 ? 170 LEU A CD2 1 ATOM 809 N N . PRO A 1 143 ? 0.341 25.929 1.228 1.00 93.84 ? 171 PRO A N 1 ATOM 810 C CA . PRO A 1 143 ? 1.147 26.720 2.157 1.00 77.60 ? 171 PRO A CA 1 ATOM 811 C C . PRO A 1 143 ? 1.206 28.176 1.737 1.00 77.73 ? 171 PRO A C 1 ATOM 812 O O . PRO A 1 143 ? 0.975 28.542 0.586 1.00 95.61 ? 171 PRO A O 1 ATOM 813 C CB . PRO A 1 143 ? 2.529 26.070 2.076 1.00 77.83 ? 171 PRO A CB 1 ATOM 814 C CG . PRO A 1 143 ? 2.575 25.526 0.717 1.00 78.27 ? 171 PRO A CG 1 ATOM 815 C CD . PRO A 1 143 ? 1.176 25.139 0.311 1.00 78.18 ? 171 PRO A CD 1 ATOM 816 N N . TYR A 1 144 ? 1.500 29.007 2.719 1.00 89.10 ? 172 TYR A N 1 ATOM 817 C CA . TYR A 1 144 ? 1.721 30.418 2.465 1.00 88.18 ? 172 TYR A CA 1 ATOM 818 C C . TYR A 1 144 ? 2.970 30.623 1.625 1.00 89.47 ? 172 TYR A C 1 ATOM 819 O O . TYR A 1 144 ? 4.048 30.142 1.985 1.00 90.87 ? 172 TYR A O 1 ATOM 820 C CB . TYR A 1 144 ? 1.863 31.161 3.779 1.00 77.37 ? 172 TYR A CB 1 ATOM 821 C CG . TYR A 1 144 ? 2.138 32.599 3.564 1.00 77.57 ? 172 TYR A CG 1 ATOM 822 C CD1 . TYR A 1 144 ? 1.168 33.420 3.017 1.00 81.19 ? 172 TYR A CD1 1 ATOM 823 C CD2 . TYR A 1 144 ? 3.349 33.164 3.928 1.00 79.70 ? 172 TYR A CD2 1 ATOM 824 C CE1 . TYR A 1 144 ? 1.405 34.778 2.810 1.00 83.11 ? 172 TYR A CE1 1 ATOM 825 C CE2 . TYR A 1 144 ? 3.597 34.518 3.726 1.00 77.88 ? 172 TYR A CE2 1 ATOM 826 C CZ . TYR A 1 144 ? 2.612 35.319 3.165 1.00 83.60 ? 172 TYR A CZ 1 ATOM 827 O OH . TYR A 1 144 ? 2.824 36.666 2.968 1.00 101.43 ? 172 TYR A OH 1 ATOM 828 N N . HIS A 1 145 ? 2.828 31.344 0.512 1.00 78.50 ? 173 HIS A N 1 ATOM 829 C CA . HIS A 1 145 ? 3.952 31.740 -0.331 1.00 79.04 ? 173 HIS A CA 1 ATOM 830 C C . HIS A 1 145 ? 4.141 33.251 -0.313 1.00 87.00 ? 173 HIS A C 1 ATOM 831 O O . HIS A 1 145 ? 3.173 34.007 -0.280 1.00 92.65 ? 173 HIS A O 1 ATOM 832 C CB . HIS A 1 145 ? 3.750 31.307 -1.785 1.00 80.17 ? 173 HIS A CB 1 ATOM 833 C CG . HIS A 1 145 ? 3.798 29.832 -1.997 1.00 89.95 ? 173 HIS A CG 1 ATOM 834 N ND1 . HIS A 1 145 ? 4.921 29.082 -1.723 1.00 100.61 ? 173 HIS A ND1 1 ATOM 835 C CD2 . HIS A 1 145 ? 2.896 28.976 -2.533 1.00 104.46 ? 173 HIS A CD2 1 ATOM 836 C CE1 . HIS A 1 145 ? 4.696 27.820 -2.043 1.00 103.21 ? 173 HIS A CE1 1 ATOM 837 N NE2 . HIS A 1 145 ? 3.474 27.729 -2.538 1.00 104.50 ? 173 HIS A NE2 1 ATOM 838 N N . GLU A 1 146 ? 5.389 33.700 -0.380 1.00 85.16 ? 174 GLU A N 1 ATOM 839 C CA . GLU A 1 146 ? 5.639 35.133 -0.486 1.00 79.60 ? 174 GLU A CA 1 ATOM 840 C C . GLU A 1 146 ? 5.432 35.646 -1.907 1.00 69.32 ? 174 GLU A C 1 ATOM 841 O O . GLU A 1 146 ? 5.634 34.933 -2.889 1.00 71.02 ? 174 GLU A O 1 ATOM 842 C CB . GLU A 1 146 ? 7.043 35.476 -0.011 1.00 94.39 ? 174 GLU A CB 1 ATOM 843 C CG . GLU A 1 146 ? 7.155 35.412 1.488 1.00 111.37 ? 174 GLU A CG 1 ATOM 844 C CD . GLU A 1 146 ? 8.518 35.799 1.985 1.00 124.75 ? 174 GLU A CD 1 ATOM 845 O OE1 . GLU A 1 146 ? 9.462 35.891 1.162 1.00 129.92 ? 174 GLU A OE1 1 ATOM 846 O OE2 . GLU A 1 146 ? 8.629 36.035 3.205 1.00 129.68 ? 174 GLU A OE2 1 ATOM 847 N N . VAL A 1 147 ? 5.014 36.905 -1.997 1.00 71.23 ? 175 VAL A N 1 ATOM 848 C CA . VAL A 1 147 ? 4.622 37.556 -3.241 1.00 72.60 ? 175 VAL A CA 1 ATOM 849 C C . VAL A 1 147 ? 5.382 38.873 -3.365 1.00 82.87 ? 175 VAL A C 1 ATOM 850 O O . VAL A 1 147 ? 5.142 39.819 -2.594 1.00 78.68 ? 175 VAL A O 1 ATOM 851 C CB . VAL A 1 147 ? 3.114 37.804 -3.282 1.00 74.20 ? 175 VAL A CB 1 ATOM 852 C CG1 . VAL A 1 147 ? 2.762 38.641 -4.470 1.00 74.95 ? 175 VAL A CG1 1 ATOM 853 C CG2 . VAL A 1 147 ? 2.387 36.489 -3.319 1.00 67.77 ? 175 VAL A CG2 1 ATOM 854 N N . TYR A 1 148 ? 6.268 38.953 -4.347 1.00 67.89 ? 176 TYR A N 1 ATOM 855 C CA . TYR A 1 148 ? 7.183 40.078 -4.420 1.00 68.72 ? 176 TYR A CA 1 ATOM 856 C C . TYR A 1 148 ? 6.504 41.250 -5.107 1.00 69.69 ? 176 TYR A C 1 ATOM 857 O O . TYR A 1 148 ? 5.636 41.068 -5.968 1.00 91.17 ? 176 TYR A O 1 ATOM 858 C CB . TYR A 1 148 ? 8.460 39.638 -5.129 1.00 67.59 ? 176 TYR A CB 1 ATOM 859 C CG . TYR A 1 148 ? 9.045 38.462 -4.379 1.00 71.29 ? 176 TYR A CG 1 ATOM 860 C CD1 . TYR A 1 148 ? 9.865 38.652 -3.266 1.00 68.95 ? 176 TYR A CD1 1 ATOM 861 C CD2 . TYR A 1 148 ? 8.730 37.158 -4.745 1.00 74.99 ? 176 TYR A CD2 1 ATOM 862 C CE1 . TYR A 1 148 ? 10.386 37.579 -2.564 1.00 73.46 ? 176 TYR A CE1 1 ATOM 863 C CE2 . TYR A 1 148 ? 9.242 36.078 -4.047 1.00 78.31 ? 176 TYR A CE2 1 ATOM 864 C CZ . TYR A 1 148 ? 10.066 36.294 -2.959 1.00 84.13 ? 176 TYR A CZ 1 ATOM 865 O OH . TYR A 1 148 ? 10.571 35.218 -2.265 1.00 95.52 ? 176 TYR A OH 1 ATOM 866 N N . THR A 1 149 ? 6.853 42.456 -4.682 1.00 71.21 ? 177 THR A N 1 ATOM 867 C CA . THR A 1 149 ? 6.098 43.628 -5.093 1.00 75.72 ? 177 THR A CA 1 ATOM 868 C C . THR A 1 149 ? 6.821 44.350 -6.209 1.00 75.35 ? 177 THR A C 1 ATOM 869 O O . THR A 1 149 ? 8.049 44.437 -6.228 1.00 72.25 ? 177 THR A O 1 ATOM 870 C CB . THR A 1 149 ? 5.822 44.610 -3.941 1.00 79.18 ? 177 THR A CB 1 ATOM 871 O OG1 . THR A 1 149 ? 7.045 45.070 -3.357 1.00 78.17 ? 177 THR A OG1 1 ATOM 872 C CG2 . THR A 1 149 ? 4.968 43.962 -2.885 1.00 74.80 ? 177 THR A CG2 1 ATOM 873 N N . ILE A 1 150 ? 6.037 44.869 -7.129 1.00 78.02 ? 178 ILE A N 1 ATOM 874 C CA . ILE A 1 150 ? 6.532 45.549 -8.306 1.00 72.59 ? 178 ILE A CA 1 ATOM 875 C C . ILE A 1 150 ? 6.483 47.043 -8.021 1.00 74.75 ? 178 ILE A C 1 ATOM 876 O O . ILE A 1 150 ? 5.463 47.561 -7.548 1.00 88.42 ? 178 ILE A O 1 ATOM 877 C CB . ILE A 1 150 ? 5.690 45.159 -9.530 1.00 77.30 ? 178 ILE A CB 1 ATOM 878 C CG1 . ILE A 1 150 ? 5.565 43.642 -9.553 1.00 80.00 ? 178 ILE A CG1 1 ATOM 879 C CG2 . ILE A 1 150 ? 6.320 45.610 -10.801 1.00 71.05 ? 178 ILE A CG2 1 ATOM 880 C CD1 . ILE A 1 150 ? 6.901 42.967 -9.507 1.00 68.65 ? 178 ILE A CD1 1 ATOM 881 N N . GLN A 1 151 ? 7.595 47.720 -8.267 1.00 75.19 ? 179 GLN A N 1 ATOM 882 C CA . GLN A 1 151 ? 7.786 49.158 -8.069 1.00 77.33 ? 179 GLN A CA 1 ATOM 883 C C . GLN A 1 151 ? 7.486 49.481 -6.597 1.00 88.87 ? 179 GLN A C 1 ATOM 884 O O . GLN A 1 151 ? 7.807 48.682 -5.699 1.00 92.82 ? 179 GLN A O 1 ATOM 885 C CB . GLN A 1 151 ? 6.942 49.910 -9.091 1.00 77.90 ? 179 GLN A CB 1 ATOM 886 C CG . GLN A 1 151 ? 7.188 49.479 -10.554 1.00 85.41 ? 179 GLN A CG 1 ATOM 887 C CD . GLN A 1 151 ? 6.402 50.300 -11.596 1.00 97.10 ? 179 GLN A CD 1 ATOM 888 O OE1 . GLN A 1 151 ? 5.471 51.037 -11.267 1.00 96.25 ? 179 GLN A OE1 1 ATOM 889 N NE2 . GLN A 1 151 ? 6.760 50.133 -12.867 1.00 102.45 ? 179 GLN A NE2 1 ATOM 890 N N . GLY A 1 152 ? 6.843 50.612 -6.308 1.00 89.56 ? 180 GLY A N 1 ATOM 891 C CA . GLY A 1 152 ? 6.714 51.097 -4.951 1.00 86.52 ? 180 GLY A CA 1 ATOM 892 C C . GLY A 1 152 ? 8.065 51.454 -4.331 1.00 84.07 ? 180 GLY A C 1 ATOM 893 O O . GLY A 1 152 ? 9.119 51.458 -4.985 1.00 83.05 ? 180 GLY A O 1 ATOM 894 N N . ASN A 1 153 ? 8.006 51.702 -3.014 1.00 85.25 ? 181 ASN A N 1 ATOM 895 C CA . ASN A 1 153 ? 9.163 52.087 -2.206 1.00 86.39 ? 181 ASN A CA 1 ATOM 896 C C . ASN A 1 153 ? 9.815 50.948 -1.434 1.00 85.05 ? 181 ASN A C 1 ATOM 897 O O . ASN A 1 153 ? 10.752 51.202 -0.675 1.00 100.86 ? 181 ASN A O 1 ATOM 898 C CB . ASN A 1 153 ? 8.789 53.229 -1.238 1.00 89.27 ? 181 ASN A CB 1 ATOM 899 C CG . ASN A 1 153 ? 7.513 52.954 -0.414 1.00 92.92 ? 181 ASN A CG 1 ATOM 900 O OD1 . ASN A 1 153 ? 7.163 51.810 -0.083 1.00 88.04 ? 181 ASN A OD1 1 ATOM 901 N ND2 . ASN A 1 153 ? 6.816 54.034 -0.073 1.00 92.13 ? 181 ASN A ND2 1 ATOM 902 N N . SER A 1 154 ? 9.356 49.716 -1.592 1.00 82.95 ? 182 SER A N 1 ATOM 903 C CA . SER A 1 154 ? 9.809 48.604 -0.770 1.00 81.83 ? 182 SER A CA 1 ATOM 904 C C . SER A 1 154 ? 10.912 47.767 -1.399 1.00 85.91 ? 182 SER A C 1 ATOM 905 O O . SER A 1 154 ? 11.200 46.683 -0.884 1.00 78.85 ? 182 SER A O 1 ATOM 906 C CB . SER A 1 154 ? 8.640 47.710 -0.433 1.00 80.85 ? 182 SER A CB 1 ATOM 907 O OG . SER A 1 154 ? 7.665 48.484 0.205 1.00 86.88 ? 182 SER A OG 1 ATOM 908 N N . HIS A 1 155 ? 11.479 48.195 -2.534 1.00 79.77 ? 183 HIS A N 1 ATOM 909 C CA . HIS A 1 155 ? 12.589 47.487 -3.181 1.00 78.29 ? 183 HIS A CA 1 ATOM 910 C C . HIS A 1 155 ? 12.218 46.072 -3.578 1.00 84.20 ? 183 HIS A C 1 ATOM 911 O O . HIS A 1 155 ? 13.072 45.184 -3.588 1.00 81.90 ? 183 HIS A O 1 ATOM 912 C CB . HIS A 1 155 ? 13.834 47.427 -2.306 1.00 79.04 ? 183 HIS A CB 1 ATOM 913 C CG . HIS A 1 155 ? 14.519 48.734 -2.152 1.00 83.92 ? 183 HIS A CG 1 ATOM 914 N ND1 . HIS A 1 155 ? 15.558 48.923 -1.270 1.00 96.58 ? 183 HIS A ND1 1 ATOM 915 C CD2 . HIS A 1 155 ? 14.333 49.918 -2.781 1.00 103.31 ? 183 HIS A CD2 1 ATOM 916 C CE1 . HIS A 1 155 ? 15.987 50.171 -1.364 1.00 110.29 ? 183 HIS A CE1 1 ATOM 917 N NE2 . HIS A 1 155 ? 15.257 50.796 -2.272 1.00 111.40 ? 183 HIS A NE2 1 ATOM 918 N N . GLY A 1 156 ? 10.952 45.841 -3.890 1.00 84.22 ? 184 GLY A N 1 ATOM 919 C CA . GLY A 1 156 ? 10.541 44.519 -4.273 1.00 76.65 ? 184 GLY A CA 1 ATOM 920 C C . GLY A 1 156 ? 10.158 43.624 -3.127 1.00 85.03 ? 184 GLY A C 1 ATOM 921 O O . GLY A 1 156 ? 9.708 42.494 -3.379 1.00 71.64 ? 184 GLY A O 1 ATOM 922 N N . LYS A 1 157 ? 10.293 44.103 -1.875 1.00 74.62 ? 185 LYS A N 1 ATOM 923 C CA . LYS A 1 157 ? 10.042 43.305 -0.676 1.00 101.74 ? 185 LYS A CA 1 ATOM 924 C C . LYS A 1 157 ? 8.666 42.648 -0.740 1.00 73.74 ? 185 LYS A C 1 ATOM 925 O O . LYS A 1 157 ? 7.728 43.213 -1.313 1.00 74.18 ? 185 LYS A O 1 ATOM 926 C CB . LYS A 1 157 ? 10.154 44.173 0.587 1.00 99.77 ? 185 LYS A CB 1 ATOM 927 N N . PRO A 1 158 ? 8.513 41.461 -0.165 1.00 81.28 ? 186 PRO A N 1 ATOM 928 C CA . PRO A 1 158 ? 7.234 40.744 -0.276 1.00 81.77 ? 186 PRO A CA 1 ATOM 929 C C . PRO A 1 158 ? 6.119 41.382 0.542 1.00 80.44 ? 186 PRO A C 1 ATOM 930 O O . PRO A 1 158 ? 6.341 41.983 1.595 1.00 88.51 ? 186 PRO A O 1 ATOM 931 C CB . PRO A 1 158 ? 7.566 39.343 0.253 1.00 79.19 ? 186 PRO A CB 1 ATOM 932 C CG . PRO A 1 158 ? 8.713 39.573 1.201 1.00 88.40 ? 186 PRO A CG 1 ATOM 933 C CD . PRO A 1 158 ? 9.520 40.695 0.593 1.00 84.23 ? 186 PRO A CD 1 ATOM 934 N N . CYS A 1 159 ? 4.898 41.233 0.038 1.00 86.10 ? 187 CYS A N 1 ATOM 935 C CA . CYS A 1 159 ? 3.719 41.655 0.776 1.00 92.00 ? 187 CYS A CA 1 ATOM 936 C C . CYS A 1 159 ? 3.726 41.042 2.161 1.00 84.40 ? 187 CYS A C 1 ATOM 937 O O . CYS A 1 159 ? 4.119 39.887 2.351 1.00 79.26 ? 187 CYS A O 1 ATOM 938 C CB . CYS A 1 159 ? 2.428 41.223 0.073 1.00 110.20 ? 187 CYS A CB 1 ATOM 939 S SG . CYS A 1 159 ? 2.025 41.973 -1.520 1.00 129.84 ? 187 CYS A SG 1 ATOM 940 N N . THR A 1 160 ? 3.282 41.815 3.127 1.00 86.16 ? 188 THR A N 1 ATOM 941 C CA . THR A 1 160 ? 2.987 41.272 4.436 1.00 92.36 ? 188 THR A CA 1 ATOM 942 C C . THR A 1 160 ? 1.491 40.967 4.471 1.00 89.98 ? 188 THR A C 1 ATOM 943 O O . THR A 1 160 ? 0.653 41.876 4.433 1.00 90.72 ? 188 THR A O 1 ATOM 944 C CB . THR A 1 160 ? 3.448 42.230 5.533 1.00 90.25 ? 188 THR A CB 1 ATOM 945 O OG1 . THR A 1 160 ? 2.917 43.536 5.290 1.00 96.11 ? 188 THR A OG1 1 ATOM 946 C CG2 . THR A 1 160 ? 4.978 42.297 5.549 1.00 78.44 ? 188 THR A CG2 1 ATOM 947 N N . ILE A 1 161 ? 1.167 39.677 4.492 1.00 90.14 ? 189 ILE A N 1 ATOM 948 C CA . ILE A 1 161 ? -0.207 39.200 4.570 1.00 82.63 ? 189 ILE A CA 1 ATOM 949 C C . ILE A 1 161 ? -0.465 38.612 5.958 1.00 82.16 ? 189 ILE A C 1 ATOM 950 O O . ILE A 1 161 ? 0.294 37.764 6.420 1.00 89.24 ? 189 ILE A O 1 ATOM 951 C CB . ILE A 1 161 ? -0.492 38.150 3.452 1.00 80.78 ? 189 ILE A CB 1 ATOM 952 C CG1 . ILE A 1 161 ? -0.254 38.746 2.062 1.00 74.43 ? 189 ILE A CG1 1 ATOM 953 C CG2 . ILE A 1 161 ? -1.933 37.617 3.543 1.00 75.23 ? 189 ILE A CG2 1 ATOM 954 C CD1 . ILE A 1 161 ? -1.228 39.855 1.709 1.00 76.72 ? 189 ILE A CD1 1 ATOM 955 N N . PRO A 1 162 ? -1.515 39.069 6.649 1.00 78.35 ? 190 PRO A N 1 ATOM 956 C CA . PRO A 1 162 ? -2.420 40.198 6.409 1.00 83.60 ? 190 PRO A CA 1 ATOM 957 C C . PRO A 1 162 ? -1.769 41.534 6.771 1.00 89.29 ? 190 PRO A C 1 ATOM 958 O O . PRO A 1 162 ? -0.732 41.544 7.459 1.00 81.40 ? 190 PRO A O 1 ATOM 959 C CB . PRO A 1 162 ? -3.584 39.910 7.344 1.00 81.29 ? 190 PRO A CB 1 ATOM 960 C CG . PRO A 1 162 ? -2.937 39.207 8.482 1.00 80.64 ? 190 PRO A CG 1 ATOM 961 C CD . PRO A 1 162 ? -1.874 38.346 7.878 1.00 78.94 ? 190 PRO A CD 1 ATOM 962 N N . PHE A 1 163 ? -2.372 42.639 6.325 1.00 88.32 ? 191 PHE A N 1 ATOM 963 C CA . PHE A 1 163 ? -1.876 43.961 6.683 1.00 97.14 ? 191 PHE A CA 1 ATOM 964 C C . PHE A 1 163 ? -3.039 44.921 6.896 1.00 91.70 ? 191 PHE A C 1 ATOM 965 O O . PHE A 1 163 ? -4.110 44.749 6.309 1.00 90.39 ? 191 PHE A O 1 ATOM 966 C CB . PHE A 1 163 ? -0.948 44.514 5.604 1.00 91.24 ? 191 PHE A CB 1 ATOM 967 C CG . PHE A 1 163 ? -1.628 44.778 4.290 1.00 87.51 ? 191 PHE A CG 1 ATOM 968 C CD1 . PHE A 1 163 ? -2.185 46.031 4.020 1.00 87.36 ? 191 PHE A CD1 1 ATOM 969 C CD2 . PHE A 1 163 ? -1.699 43.788 3.317 1.00 82.31 ? 191 PHE A CD2 1 ATOM 970 C CE1 . PHE A 1 163 ? -2.804 46.285 2.804 1.00 93.57 ? 191 PHE A CE1 1 ATOM 971 C CE2 . PHE A 1 163 ? -2.319 44.036 2.091 1.00 82.29 ? 191 PHE A CE2 1 ATOM 972 C CZ . PHE A 1 163 ? -2.868 45.274 1.828 1.00 84.27 ? 191 PHE A CZ 1 ATOM 973 N N . LYS A 1 164 ? -2.808 45.957 7.710 1.00 90.86 ? 192 LYS A N 1 ATOM 974 C CA . LYS A 1 164 ? -3.836 46.945 8.011 1.00 91.93 ? 192 LYS A CA 1 ATOM 975 C C . LYS A 1 164 ? -3.652 48.186 7.151 1.00 93.19 ? 192 LYS A C 1 ATOM 976 O O . LYS A 1 164 ? -2.543 48.722 7.046 1.00 99.36 ? 192 LYS A O 1 ATOM 977 C CB . LYS A 1 164 ? -3.812 47.336 9.491 1.00 93.64 ? 192 LYS A CB 1 ATOM 978 N N . TYR A 1 165 ? -4.743 48.642 6.549 1.00 94.44 ? 193 TYR A N 1 ATOM 979 C CA . TYR A 1 165 ? -4.778 49.919 5.856 1.00 96.15 ? 193 TYR A CA 1 ATOM 980 C C . TYR A 1 165 ? -6.112 50.565 6.154 1.00 111.35 ? 193 TYR A C 1 ATOM 981 O O . TYR A 1 165 ? -7.162 49.920 6.017 1.00 102.08 ? 193 TYR A O 1 ATOM 982 C CB . TYR A 1 165 ? -4.588 49.804 4.348 1.00 94.65 ? 193 TYR A CB 1 ATOM 983 C CG . TYR A 1 165 ? -4.814 51.109 3.592 1.00 96.56 ? 193 TYR A CG 1 ATOM 984 C CD1 . TYR A 1 165 ? -3.890 52.147 3.653 1.00 113.03 ? 193 TYR A CD1 1 ATOM 985 C CD2 . TYR A 1 165 ? -5.935 51.290 2.790 1.00 97.34 ? 193 TYR A CD2 1 ATOM 986 C CE1 . TYR A 1 165 ? -4.089 53.345 2.956 1.00 117.00 ? 193 TYR A CE1 1 ATOM 987 C CE2 . TYR A 1 165 ? -6.138 52.477 2.085 1.00 109.39 ? 193 TYR A CE2 1 ATOM 988 C CZ . TYR A 1 165 ? -5.216 53.498 2.177 1.00 117.95 ? 193 TYR A CZ 1 ATOM 989 O OH . TYR A 1 165 ? -5.426 54.670 1.489 1.00 123.96 ? 193 TYR A OH 1 ATOM 990 N N . ASP A 1 166 ? -6.050 51.838 6.563 1.00 110.65 ? 194 ASP A N 1 ATOM 991 C CA . ASP A 1 166 ? -7.218 52.599 6.991 1.00 107.19 ? 194 ASP A CA 1 ATOM 992 C C . ASP A 1 166 ? -8.033 51.772 7.982 1.00 104.38 ? 194 ASP A C 1 ATOM 993 O O . ASP A 1 166 ? -9.265 51.702 7.915 1.00 105.56 ? 194 ASP A O 1 ATOM 994 C CB . ASP A 1 166 ? -8.047 53.038 5.780 1.00 111.71 ? 194 ASP A CB 1 ATOM 995 C CG . ASP A 1 166 ? -9.088 54.082 6.122 1.00 125.42 ? 194 ASP A CG 1 ATOM 996 O OD1 . ASP A 1 166 ? -8.702 55.239 6.415 1.00 132.68 ? 194 ASP A OD1 1 ATOM 997 O OD2 . ASP A 1 166 ? -10.291 53.747 6.095 1.00 133.23 ? 194 ASP A OD2 1 ATOM 998 N N . ASN A 1 167 ? -7.315 51.078 8.870 1.00 103.00 ? 195 ASN A N 1 ATOM 999 C CA . ASN A 1 167 ? -7.906 50.377 10.001 1.00 119.67 ? 195 ASN A CA 1 ATOM 1000 C C . ASN A 1 167 ? -8.689 49.143 9.567 1.00 126.91 ? 195 ASN A C 1 ATOM 1001 O O . ASN A 1 167 ? -9.189 48.396 10.414 1.00 129.24 ? 195 ASN A O 1 ATOM 1002 C CB . ASN A 1 167 ? -8.800 51.335 10.794 1.00 123.64 ? 195 ASN A CB 1 ATOM 1003 C CG . ASN A 1 167 ? -8.038 52.546 11.307 1.00 133.48 ? 195 ASN A CG 1 ATOM 1004 O OD1 . ASN A 1 167 ? -8.426 53.689 11.059 1.00 135.35 ? 195 ASN A OD1 1 ATOM 1005 N ND2 . ASN A 1 167 ? -6.947 52.300 12.028 1.00 139.48 ? 195 ASN A ND2 1 ATOM 1006 N N . GLN A 1 168 ? -8.849 48.947 8.258 1.00 122.39 ? 196 GLN A N 1 ATOM 1007 C CA . GLN A 1 168 ? -9.308 47.664 7.753 1.00 108.13 ? 196 GLN A CA 1 ATOM 1008 C C . GLN A 1 168 ? -8.142 46.697 7.612 1.00 103.59 ? 196 GLN A C 1 ATOM 1009 O O . GLN A 1 168 ? -6.988 47.099 7.468 1.00 105.88 ? 196 GLN A O 1 ATOM 1010 C CB . GLN A 1 168 ? -10.016 47.815 6.415 1.00 107.51 ? 196 GLN A CB 1 ATOM 1011 C CG . GLN A 1 168 ? -11.371 48.458 6.516 1.00 121.24 ? 196 GLN A CG 1 ATOM 1012 C CD . GLN A 1 168 ? -12.064 48.521 5.174 1.00 127.29 ? 196 GLN A CD 1 ATOM 1013 O OE1 . GLN A 1 168 ? -11.409 48.525 4.127 1.00 121.32 ? 196 GLN A OE1 1 ATOM 1014 N NE2 . GLN A 1 168 ? -13.399 48.550 5.193 1.00 130.88 ? 196 GLN A NE2 1 ATOM 1015 N N . TRP A 1 169 ? -8.455 45.405 7.659 1.00 98.77 ? 197 TRP A N 1 ATOM 1016 C CA . TRP A 1 169 ? -7.472 44.350 7.453 1.00 90.89 ? 197 TRP A CA 1 ATOM 1017 C C . TRP A 1 169 ? -7.657 43.732 6.080 1.00 97.88 ? 197 TRP A C 1 ATOM 1018 O O . TRP A 1 169 ? -8.784 43.590 5.595 1.00 103.28 ? 197 TRP A O 1 ATOM 1019 C CB . TRP A 1 169 ? -7.564 43.261 8.526 1.00 90.85 ? 197 TRP A CB 1 ATOM 1020 C CG . TRP A 1 169 ? -6.960 43.688 9.815 1.00 105.11 ? 197 TRP A CG 1 ATOM 1021 C CD1 . TRP A 1 169 ? -7.596 44.291 10.860 1.00 104.29 ? 197 TRP A CD1 1 ATOM 1022 C CD2 . TRP A 1 169 ? -5.585 43.558 10.197 1.00 103.69 ? 197 TRP A CD2 1 ATOM 1023 N NE1 . TRP A 1 169 ? -6.698 44.548 11.864 1.00 111.49 ? 197 TRP A NE1 1 ATOM 1024 C CE2 . TRP A 1 169 ? -5.458 44.105 11.482 1.00 109.33 ? 197 TRP A CE2 1 ATOM 1025 C CE3 . TRP A 1 169 ? -4.452 43.036 9.574 1.00 112.53 ? 197 TRP A CE3 1 ATOM 1026 C CZ2 . TRP A 1 169 ? -4.243 44.140 12.158 1.00 111.22 ? 197 TRP A CZ2 1 ATOM 1027 C CZ3 . TRP A 1 169 ? -3.245 43.074 10.246 1.00 113.48 ? 197 TRP A CZ3 1 ATOM 1028 C CH2 . TRP A 1 169 ? -3.151 43.619 11.524 1.00 110.65 ? 197 TRP A CH2 1 ATOM 1029 N N . PHE A 1 170 ? -6.541 43.408 5.437 1.00 90.68 ? 198 PHE A N 1 ATOM 1030 C CA . PHE A 1 170 ? -6.598 42.795 4.127 1.00 88.85 ? 198 PHE A CA 1 ATOM 1031 C C . PHE A 1 170 ? -5.730 41.549 4.122 1.00 93.36 ? 198 PHE A C 1 ATOM 1032 O O . PHE A 1 170 ? -4.635 41.525 4.708 1.00 82.56 ? 198 PHE A O 1 ATOM 1033 C CB . PHE A 1 170 ? -6.139 43.686 2.950 1.00 94.90 ? 198 PHE A CB 1 ATOM 1034 C CG . PHE A 1 170 ? -6.793 45.044 2.870 1.00 95.98 ? 198 PHE A CG 1 ATOM 1035 C CD1 . PHE A 1 170 ? -7.091 45.797 3.970 1.00 93.75 ? 198 PHE A CD1 1 ATOM 1036 C CD2 . PHE A 1 170 ? -7.282 45.467 1.664 1.00 100.72 ? 198 PHE A CD2 1 ATOM 1037 C CE1 . PHE A 1 170 ? -7.709 47.005 3.843 1.00 97.53 ? 198 PHE A CE1 1 ATOM 1038 C CE2 . PHE A 1 170 ? -7.939 46.658 1.541 1.00 97.36 ? 198 PHE A CE2 1 ATOM 1039 C CZ . PHE A 1 170 ? -8.140 47.429 2.623 1.00 93.06 ? 198 PHE A CZ 1 ATOM 1040 N N . HIS A 1 171 ? -6.267 40.509 3.479 1.00 92.64 ? 199 HIS A N 1 ATOM 1041 C CA . HIS A 1 171 ? -5.606 39.237 3.281 1.00 79.86 ? 199 HIS A CA 1 ATOM 1042 C C . HIS A 1 171 ? -4.998 39.107 1.894 1.00 90.34 ? 199 HIS A C 1 ATOM 1043 O O . HIS A 1 171 ? -4.547 38.017 1.531 1.00 86.56 ? 199 HIS A O 1 ATOM 1044 C CB . HIS A 1 171 ? -6.582 38.103 3.550 1.00 79.71 ? 199 HIS A CB 1 ATOM 1045 C CG . HIS A 1 171 ? -7.769 38.108 2.647 1.00 88.61 ? 199 HIS A CG 1 ATOM 1046 N ND1 . HIS A 1 171 ? -7.704 37.694 1.334 1.00 79.88 ? 199 HIS A ND1 1 ATOM 1047 C CD2 . HIS A 1 171 ? -9.058 38.457 2.873 1.00 94.41 ? 199 HIS A CD2 1 ATOM 1048 C CE1 . HIS A 1 171 ? -8.901 37.804 0.786 1.00 81.68 ? 199 HIS A CE1 1 ATOM 1049 N NE2 . HIS A 1 171 ? -9.741 38.256 1.701 1.00 88.52 ? 199 HIS A NE2 1 ATOM 1050 N N . GLY A 1 172 ? -5.031 40.168 1.097 1.00 93.44 ? 200 GLY A N 1 ATOM 1051 C CA . GLY A 1 172 ? -4.378 40.154 -0.198 1.00 78.78 ? 200 GLY A CA 1 ATOM 1052 C C . GLY A 1 172 ? -4.411 41.516 -0.853 1.00 80.73 ? 200 GLY A C 1 ATOM 1053 O O . GLY A 1 172 ? -4.709 42.530 -0.221 1.00 91.39 ? 200 GLY A O 1 ATOM 1054 N N . CYS A 1 173 ? -4.114 41.516 -2.145 1.00 90.50 ? 201 CYS A N 1 ATOM 1055 C CA . CYS A 1 173 ? -4.075 42.746 -2.923 1.00 105.83 ? 201 CYS A CA 1 ATOM 1056 C C . CYS A 1 173 ? -5.444 43.405 -2.979 1.00 106.88 ? 201 CYS A C 1 ATOM 1057 O O . CYS A 1 173 ? -6.478 42.730 -3.051 1.00 109.32 ? 201 CYS A O 1 ATOM 1058 C CB . CYS A 1 173 ? -3.591 42.436 -4.338 1.00 118.63 ? 201 CYS A CB 1 ATOM 1059 S SG . CYS A 1 173 ? -1.975 41.674 -4.318 1.00 127.94 ? 201 CYS A SG 1 ATOM 1060 N N . THR A 1 174 ? -5.447 44.735 -2.954 1.00 97.86 ? 202 THR A N 1 ATOM 1061 C CA . THR A 1 174 ? -6.648 45.497 -3.249 1.00 89.87 ? 202 THR A CA 1 ATOM 1062 C C . THR A 1 174 ? -6.318 46.702 -4.100 1.00 98.51 ? 202 THR A C 1 ATOM 1063 O O . THR A 1 174 ? -5.176 47.160 -4.181 1.00 102.12 ? 202 THR A O 1 ATOM 1064 C CB . THR A 1 174 ? -7.368 45.986 -2.007 1.00 92.22 ? 202 THR A CB 1 ATOM 1065 O OG1 . THR A 1 174 ? -6.412 46.611 -1.133 1.00 89.98 ? 202 THR A OG1 1 ATOM 1066 C CG2 . THR A 1 174 ? -8.164 44.840 -1.347 1.00 92.79 ? 202 THR A CG2 1 ATOM 1067 N N . SER A 1 175 ? -7.362 47.192 -4.742 1.00 106.35 ? 203 SER A N 1 ATOM 1068 C CA . SER A 1 175 ? -7.349 48.428 -5.493 1.00 119.73 ? 203 SER A CA 1 ATOM 1069 C C . SER A 1 175 ? -7.815 49.603 -4.651 1.00 121.34 ? 203 SER A C 1 ATOM 1070 O O . SER A 1 175 ? -7.957 50.715 -5.170 1.00 122.26 ? 203 SER A O 1 ATOM 1071 C CB . SER A 1 175 ? -8.211 48.263 -6.746 1.00 128.46 ? 203 SER A CB 1 ATOM 1072 O OG . SER A 1 175 ? -9.517 47.822 -6.421 1.00 137.28 ? 203 SER A OG 1 ATOM 1073 N N . THR A 1 176 ? -8.055 49.375 -3.364 1.00 125.05 ? 204 THR A N 1 ATOM 1074 C CA . THR A 1 176 ? -8.556 50.418 -2.490 1.00 131.13 ? 204 THR A CA 1 ATOM 1075 C C . THR A 1 176 ? -7.436 51.389 -2.116 1.00 130.93 ? 204 THR A C 1 ATOM 1076 O O . THR A 1 176 ? -6.247 51.057 -2.145 1.00 143.23 ? 204 THR A O 1 ATOM 1077 C CB . THR A 1 176 ? -9.171 49.812 -1.233 1.00 128.66 ? 204 THR A CB 1 ATOM 1078 O OG1 . THR A 1 176 ? -9.967 50.799 -0.576 1.00 136.74 ? 204 THR A OG1 1 ATOM 1079 C CG2 . THR A 1 176 ? -8.082 49.385 -0.291 1.00 124.82 ? 204 THR A CG2 1 ATOM 1080 N N . GLY A 1 177 ? -7.834 52.608 -1.768 1.00 121.41 ? 205 GLY A N 1 ATOM 1081 C CA . GLY A 1 177 ? -6.887 53.678 -1.538 1.00 120.14 ? 205 GLY A CA 1 ATOM 1082 C C . GLY A 1 177 ? -6.148 54.155 -2.767 1.00 118.25 ? 205 GLY A C 1 ATOM 1083 O O . GLY A 1 177 ? -5.233 54.980 -2.642 1.00 124.43 ? 205 GLY A O 1 ATOM 1084 N N . ARG A 1 178 ? -6.502 53.655 -3.949 1.00 114.07 ? 206 ARG A N 1 ATOM 1085 C CA . ARG A 1 178 ? -5.800 54.041 -5.158 1.00 122.90 ? 206 ARG A CA 1 ATOM 1086 C C . ARG A 1 178 ? -6.762 54.447 -6.250 1.00 133.19 ? 206 ARG A C 1 ATOM 1087 O O . ARG A 1 178 ? -7.391 53.577 -6.854 1.00 135.29 ? 206 ARG A O 1 ATOM 1088 C CB . ARG A 1 178 ? -4.962 52.882 -5.711 1.00 118.14 ? 206 ARG A CB 1 ATOM 1089 C CG . ARG A 1 178 ? -3.801 52.402 -4.877 1.00 119.62 ? 206 ARG A CG 1 ATOM 1090 C CD . ARG A 1 178 ? -2.556 53.223 -5.046 1.00 115.95 ? 206 ARG A CD 1 ATOM 1091 N NE . ARG A 1 178 ? -2.152 53.222 -6.445 1.00 110.83 ? 206 ARG A NE 1 ATOM 1092 C CZ . ARG A 1 178 ? -1.096 53.872 -6.914 1.00 113.34 ? 206 ARG A CZ 1 ATOM 1093 N NH1 . ARG A 1 178 ? -0.300 54.534 -6.090 1.00 124.72 ? 206 ARG A NH1 1 ATOM 1094 N NH2 . ARG A 1 178 ? -0.817 53.844 -8.203 1.00 106.54 ? 206 ARG A NH2 1 ATOM 1095 N N . GLU A 1 179 ? -6.912 55.747 -6.486 1.00 140.88 ? 207 GLU A N 1 ATOM 1096 C CA . GLU A 1 179 ? -6.661 56.295 -7.805 1.00 141.62 ? 207 GLU A CA 1 ATOM 1097 C C . GLU A 1 179 ? -7.016 55.336 -8.942 1.00 141.41 ? 207 GLU A C 1 ATOM 1098 O O . GLU A 1 179 ? -8.164 54.952 -9.178 1.00 133.07 ? 207 GLU A O 1 ATOM 1099 C CB . GLU A 1 179 ? -5.191 56.719 -7.912 1.00 144.72 ? 207 GLU A CB 1 ATOM 1100 N N . ASP A 1 180 ? -5.925 54.969 -9.612 1.00 140.22 ? 208 ASP A N 1 ATOM 1101 C CA . ASP A 1 180 ? -5.877 54.222 -10.864 1.00 142.09 ? 208 ASP A CA 1 ATOM 1102 C C . ASP A 1 180 ? -6.619 52.892 -10.856 1.00 138.94 ? 208 ASP A C 1 ATOM 1103 O O . ASP A 1 180 ? -6.887 52.347 -11.935 1.00 141.38 ? 208 ASP A O 1 ATOM 1104 C CB . ASP A 1 180 ? -4.395 54.013 -11.193 1.00 126.22 ? 208 ASP A CB 1 ATOM 1105 C CG . ASP A 1 180 ? -3.647 53.252 -10.090 1.00 115.51 ? 208 ASP A CG 1 ATOM 1106 O OD1 . ASP A 1 180 ? -4.227 52.384 -9.404 1.00 116.51 ? 208 ASP A OD1 1 ATOM 1107 O OD2 . ASP A 1 180 ? -2.491 53.617 -9.819 1.00 110.87 ? 208 ASP A OD2 1 ATOM 1108 N N . GLY A 1 181 ? -6.922 52.321 -9.691 1.00 132.45 ? 209 GLY A N 1 ATOM 1109 C CA . GLY A 1 181 ? -7.541 51.018 -9.689 1.00 121.87 ? 209 GLY A CA 1 ATOM 1110 C C . GLY A 1 181 ? -6.593 49.841 -9.574 1.00 112.87 ? 209 GLY A C 1 ATOM 1111 O O . GLY A 1 181 ? -7.065 48.715 -9.397 1.00 121.44 ? 209 GLY A O 1 ATOM 1112 N N . HIS A 1 182 ? -5.286 50.041 -9.753 1.00 99.95 ? 210 HIS A N 1 ATOM 1113 C CA . HIS A 1 182 ? -4.342 48.927 -9.743 1.00 96.75 ? 210 HIS A CA 1 ATOM 1114 C C . HIS A 1 182 ? -4.267 48.248 -8.376 1.00 101.70 ? 210 HIS A C 1 ATOM 1115 O O . HIS A 1 182 ? -4.679 48.790 -7.344 1.00 105.95 ? 210 HIS A O 1 ATOM 1116 C CB . HIS A 1 182 ? -2.942 49.383 -10.133 1.00 91.06 ? 210 HIS A CB 1 ATOM 1117 C CG . HIS A 1 182 ? -2.810 49.769 -11.570 1.00 101.92 ? 210 HIS A CG 1 ATOM 1118 N ND1 . HIS A 1 182 ? -3.117 51.028 -12.037 1.00 104.90 ? 210 HIS A ND1 1 ATOM 1119 C CD2 . HIS A 1 182 ? -2.413 49.055 -12.650 1.00 101.81 ? 210 HIS A CD2 1 ATOM 1120 C CE1 . HIS A 1 182 ? -2.905 51.078 -13.339 1.00 103.77 ? 210 HIS A CE1 1 ATOM 1121 N NE2 . HIS A 1 182 ? -2.480 49.892 -13.736 1.00 103.24 ? 210 HIS A NE2 1 ATOM 1122 N N . LEU A 1 183 ? -3.736 47.029 -8.387 1.00 99.50 ? 211 LEU A N 1 ATOM 1123 C CA . LEU A 1 183 ? -3.617 46.222 -7.181 1.00 95.77 ? 211 LEU A CA 1 ATOM 1124 C C . LEU A 1 183 ? -2.270 46.455 -6.504 1.00 89.77 ? 211 LEU A C 1 ATOM 1125 O O . LEU A 1 183 ? -1.217 46.382 -7.147 1.00 84.18 ? 211 LEU A O 1 ATOM 1126 C CB . LEU A 1 183 ? -3.796 44.739 -7.511 1.00 94.84 ? 211 LEU A CB 1 ATOM 1127 C CG . LEU A 1 183 ? -5.178 44.251 -7.953 1.00 89.72 ? 211 LEU A CG 1 ATOM 1128 C CD1 . LEU A 1 183 ? -5.081 42.804 -8.349 1.00 83.53 ? 211 LEU A CD1 1 ATOM 1129 C CD2 . LEU A 1 183 ? -6.193 44.413 -6.845 1.00 84.03 ? 211 LEU A CD2 1 ATOM 1130 N N . TRP A 1 184 ? -2.315 46.730 -5.199 1.00 91.35 ? 212 TRP A N 1 ATOM 1131 C CA . TRP A 1 184 ? -1.121 46.959 -4.395 1.00 91.79 ? 212 TRP A CA 1 ATOM 1132 C C . TRP A 1 184 ? -1.310 46.255 -3.058 1.00 83.68 ? 212 TRP A C 1 ATOM 1133 O O . TRP A 1 184 ? -2.429 45.887 -2.689 1.00 84.05 ? 212 TRP A O 1 ATOM 1134 C CB . TRP A 1 184 ? -0.864 48.463 -4.165 1.00 91.47 ? 212 TRP A CB 1 ATOM 1135 C CG . TRP A 1 184 ? -1.939 49.106 -3.334 1.00 98.12 ? 212 TRP A CG 1 ATOM 1136 C CD1 . TRP A 1 184 ? -3.152 49.541 -3.771 1.00 99.88 ? 212 TRP A CD1 1 ATOM 1137 C CD2 . TRP A 1 184 ? -1.906 49.370 -1.922 1.00 89.87 ? 212 TRP A CD2 1 ATOM 1138 N NE1 . TRP A 1 184 ? -3.880 50.065 -2.726 1.00 94.72 ? 212 TRP A NE1 1 ATOM 1139 C CE2 . TRP A 1 184 ? -3.136 49.974 -1.579 1.00 96.30 ? 212 TRP A CE2 1 ATOM 1140 C CE3 . TRP A 1 184 ? -0.961 49.153 -0.917 1.00 89.74 ? 212 TRP A CE3 1 ATOM 1141 C CZ2 . TRP A 1 184 ? -3.445 50.364 -0.270 1.00 94.19 ? 212 TRP A CZ2 1 ATOM 1142 C CZ3 . TRP A 1 184 ? -1.265 49.544 0.383 1.00 102.34 ? 212 TRP A CZ3 1 ATOM 1143 C CH2 . TRP A 1 184 ? -2.499 50.142 0.693 1.00 96.25 ? 212 TRP A CH2 1 ATOM 1144 N N . CYS A 1 185 ? -0.202 46.065 -2.335 1.00 84.96 ? 213 CYS A N 1 ATOM 1145 C CA . CYS A 1 185 ? -0.252 45.688 -0.924 1.00 89.54 ? 213 CYS A CA 1 ATOM 1146 C C . CYS A 1 185 ? 0.766 46.510 -0.127 1.00 89.61 ? 213 CYS A C 1 ATOM 1147 O O . CYS A 1 185 ? 1.682 47.128 -0.685 1.00 86.36 ? 213 CYS A O 1 ATOM 1148 C CB . CYS A 1 185 ? 0.071 44.211 -0.705 1.00 86.50 ? 213 CYS A CB 1 ATOM 1149 S SG . CYS A 1 185 ? 1.793 43.949 -1.109 1.00 108.74 ? 213 CYS A SG 1 ATOM 1150 N N . ALA A 1 186 ? 0.601 46.485 1.196 1.00 90.87 ? 214 ALA A N 1 ATOM 1151 C CA . ALA A 1 186 ? 1.621 46.960 2.120 1.00 88.83 ? 214 ALA A CA 1 ATOM 1152 C C . ALA A 1 186 ? 2.721 45.916 2.292 1.00 94.44 ? 214 ALA A C 1 ATOM 1153 O O . ALA A 1 186 ? 2.474 44.706 2.248 1.00 86.72 ? 214 ALA A O 1 ATOM 1154 C CB . ALA A 1 186 ? 0.997 47.288 3.468 1.00 90.83 ? 214 ALA A CB 1 ATOM 1155 N N . THR A 1 187 ? 3.953 46.388 2.430 1.00 96.52 ? 215 THR A N 1 ATOM 1156 C CA . THR A 1 187 ? 5.081 45.523 2.742 1.00 97.56 ? 215 THR A CA 1 ATOM 1157 C C . THR A 1 187 ? 5.417 45.549 4.226 1.00 102.27 ? 215 THR A C 1 ATOM 1158 O O . THR A 1 187 ? 6.328 44.842 4.667 1.00 107.03 ? 215 THR A O 1 ATOM 1159 C CB . THR A 1 187 ? 6.290 45.927 1.897 1.00 90.49 ? 215 THR A CB 1 ATOM 1160 O OG1 . THR A 1 187 ? 6.604 47.298 2.159 1.00 97.64 ? 215 THR A OG1 1 ATOM 1161 C CG2 . THR A 1 187 ? 5.954 45.794 0.449 1.00 88.50 ? 215 THR A CG2 1 ATOM 1162 N N . THR A 1 188 ? 4.699 46.356 4.988 1.00 93.22 ? 216 THR A N 1 ATOM 1163 C CA . THR A 1 188 ? 4.738 46.416 6.440 1.00 116.42 ? 216 THR A CA 1 ATOM 1164 C C . THR A 1 188 ? 3.362 46.020 6.955 1.00 111.12 ? 216 THR A C 1 ATOM 1165 O O . THR A 1 188 ? 2.379 46.127 6.219 1.00 124.17 ? 216 THR A O 1 ATOM 1166 C CB . THR A 1 188 ? 5.084 47.820 6.906 1.00 102.25 ? 216 THR A CB 1 ATOM 1167 O OG1 . THR A 1 188 ? 5.170 47.810 8.323 1.00 116.76 ? 216 THR A OG1 1 ATOM 1168 C CG2 . THR A 1 188 ? 4.001 48.811 6.442 1.00 98.11 ? 216 THR A CG2 1 ATOM 1169 N N . GLN A 1 189 ? 3.251 45.536 8.202 1.00 109.79 ? 217 GLN A N 1 ATOM 1170 C CA . GLN A 1 189 ? 1.896 45.061 8.500 1.00 110.90 ? 217 GLN A CA 1 ATOM 1171 C C . GLN A 1 189 ? 0.953 46.176 8.923 1.00 103.23 ? 217 GLN A C 1 ATOM 1172 O O . GLN A 1 189 ? -0.254 45.923 9.031 1.00 98.52 ? 217 GLN A O 1 ATOM 1173 C CB . GLN A 1 189 ? 1.804 43.949 9.566 1.00 116.16 ? 217 GLN A CB 1 ATOM 1174 C CG . GLN A 1 189 ? 1.904 44.345 11.027 1.00 123.96 ? 217 GLN A CG 1 ATOM 1175 C CD . GLN A 1 189 ? 1.292 43.274 11.958 1.00 124.57 ? 217 GLN A CD 1 ATOM 1176 O OE1 . GLN A 1 189 ? 1.036 42.139 11.549 1.00 109.44 ? 217 GLN A OE1 1 ATOM 1177 N NE2 . GLN A 1 189 ? 1.047 43.652 13.213 1.00 132.72 ? 217 GLN A NE2 1 ATOM 1178 N N . ASP A 1 190 ? 1.449 47.388 9.160 1.00 99.92 ? 218 ASP A N 1 ATOM 1179 C CA . ASP A 1 190 ? 0.567 48.542 9.284 1.00 106.41 ? 218 ASP A CA 1 ATOM 1180 C C . ASP A 1 190 ? 1.057 49.658 8.375 1.00 106.22 ? 218 ASP A C 1 ATOM 1181 O O . ASP A 1 190 ? 2.063 50.314 8.674 1.00 103.37 ? 218 ASP A O 1 ATOM 1182 C CB . ASP A 1 190 ? 0.468 49.022 10.727 1.00 112.62 ? 218 ASP A CB 1 ATOM 1183 C CG . ASP A 1 190 ? -0.482 50.181 10.869 1.00 125.57 ? 218 ASP A CG 1 ATOM 1184 O OD1 . ASP A 1 190 ? -1.644 50.045 10.421 1.00 130.02 ? 218 ASP A OD1 1 ATOM 1185 O OD2 . ASP A 1 190 ? -0.085 51.211 11.448 1.00 134.96 ? 218 ASP A OD2 1 ATOM 1186 N N . TYR A 1 191 ? 0.294 49.915 7.308 1.00 104.76 ? 219 TYR A N 1 ATOM 1187 C CA . TYR A 1 191 ? 0.670 50.941 6.341 1.00 111.18 ? 219 TYR A CA 1 ATOM 1188 C C . TYR A 1 191 ? 0.610 52.325 6.965 1.00 104.64 ? 219 TYR A C 1 ATOM 1189 O O . TYR A 1 191 ? 1.418 53.193 6.617 1.00 106.17 ? 219 TYR A O 1 ATOM 1190 C CB . TYR A 1 191 ? -0.246 50.859 5.111 1.00 107.67 ? 219 TYR A CB 1 ATOM 1191 C CG . TYR A 1 191 ? 0.015 51.864 3.985 1.00 99.78 ? 219 TYR A CG 1 ATOM 1192 C CD1 . TYR A 1 191 ? 1.031 51.660 3.056 1.00 107.37 ? 219 TYR A CD1 1 ATOM 1193 C CD2 . TYR A 1 191 ? -0.784 52.999 3.837 1.00 102.52 ? 219 TYR A CD2 1 ATOM 1194 C CE1 . TYR A 1 191 ? 1.248 52.571 2.018 1.00 114.91 ? 219 TYR A CE1 1 ATOM 1195 C CE2 . TYR A 1 191 ? -0.580 53.908 2.812 1.00 103.75 ? 219 TYR A CE2 1 ATOM 1196 C CZ . TYR A 1 191 ? 0.437 53.696 1.909 1.00 120.44 ? 219 TYR A CZ 1 ATOM 1197 O OH . TYR A 1 191 ? 0.637 54.609 0.895 1.00 126.10 ? 219 TYR A OH 1 ATOM 1198 N N . GLY A 1 192 ? -0.330 52.542 7.888 1.00 106.72 ? 220 GLY A N 1 ATOM 1199 C CA . GLY A 1 192 ? -0.428 53.838 8.539 1.00 110.84 ? 220 GLY A CA 1 ATOM 1200 C C . GLY A 1 192 ? 0.863 54.248 9.221 1.00 112.70 ? 220 GLY A C 1 ATOM 1201 O O . GLY A 1 192 ? 1.247 55.419 9.190 1.00 115.77 ? 220 GLY A O 1 ATOM 1202 N N . LYS A 1 193 ? 1.549 53.289 9.846 1.00 111.41 ? 221 LYS A N 1 ATOM 1203 C CA . LYS A 1 193 ? 2.828 53.580 10.493 1.00 123.38 ? 221 LYS A CA 1 ATOM 1204 C C . LYS A 1 193 ? 3.952 53.694 9.460 1.00 122.36 ? 221 LYS A C 1 ATOM 1205 O O . LYS A 1 193 ? 4.497 54.780 9.232 1.00 131.59 ? 221 LYS A O 1 ATOM 1206 C CB . LYS A 1 193 ? 3.156 52.502 11.536 1.00 113.10 ? 221 LYS A CB 1 ATOM 1207 C CG . LYS A 1 193 ? 4.481 52.770 12.224 1.00 115.72 ? 221 LYS A CG 1 ATOM 1208 C CD . LYS A 1 193 ? 4.858 51.782 13.313 1.00 118.47 ? 221 LYS A CD 1 ATOM 1209 C CE . LYS A 1 193 ? 5.505 50.537 12.785 1.00 113.38 ? 221 LYS A CE 1 ATOM 1210 N NZ . LYS A 1 193 ? 6.031 49.754 13.928 1.00 115.10 ? 221 LYS A NZ 1 ATOM 1211 N N . ASP A 1 194 ? 4.315 52.570 8.830 1.00 109.50 ? 222 ASP A N 1 ATOM 1212 C CA . ASP A 1 194 ? 5.548 52.502 8.054 1.00 108.83 ? 222 ASP A CA 1 ATOM 1213 C C . ASP A 1 194 ? 5.382 53.038 6.635 1.00 107.93 ? 222 ASP A C 1 ATOM 1214 O O . ASP A 1 194 ? 6.330 53.600 6.076 1.00 109.65 ? 222 ASP A O 1 ATOM 1215 C CB . ASP A 1 194 ? 6.065 51.063 8.077 1.00 106.35 ? 222 ASP A CB 1 ATOM 1216 C CG . ASP A 1 194 ? 6.551 50.647 9.470 1.00 125.88 ? 222 ASP A CG 1 ATOM 1217 O OD1 . ASP A 1 194 ? 6.915 51.550 10.263 1.00 135.95 ? 222 ASP A OD1 1 ATOM 1218 O OD2 . ASP A 1 194 ? 6.520 49.439 9.800 1.00 106.84 ? 222 ASP A OD2 1 ATOM 1219 N N . GLU A 1 195 ? 4.196 52.879 6.049 1.00 116.90 ? 223 GLU A N 1 ATOM 1220 C CA . GLU A 1 195 ? 3.854 53.434 4.735 1.00 116.04 ? 223 GLU A CA 1 ATOM 1221 C C . GLU A 1 195 ? 4.709 52.810 3.621 1.00 114.80 ? 223 GLU A C 1 ATOM 1222 O O . GLU A 1 195 ? 5.016 53.442 2.612 1.00 104.19 ? 223 GLU A O 1 ATOM 1223 C CB . GLU A 1 195 ? 3.945 54.970 4.766 1.00 124.78 ? 223 GLU A CB 1 ATOM 1224 C CG . GLU A 1 195 ? 3.254 55.733 3.622 1.00 142.81 ? 223 GLU A CG 1 ATOM 1225 C CD . GLU A 1 195 ? 4.154 56.007 2.423 1.00 162.84 ? 223 GLU A CD 1 ATOM 1226 O OE1 . GLU A 1 195 ? 5.380 56.160 2.625 1.00 170.85 ? 223 GLU A OE1 1 ATOM 1227 O OE2 . GLU A 1 195 ? 3.642 56.037 1.278 1.00 166.41 ? 223 GLU A OE2 1 ATOM 1228 N N . ARG A 1 196 ? 5.072 51.540 3.771 1.00 109.84 ? 224 ARG A N 1 ATOM 1229 C CA . ARG A 1 196 ? 5.890 50.839 2.792 1.00 104.02 ? 224 ARG A CA 1 ATOM 1230 C C . ARG A 1 196 ? 5.009 49.886 1.983 1.00 109.68 ? 224 ARG A C 1 ATOM 1231 O O . ARG A 1 196 ? 4.434 48.947 2.544 1.00 111.83 ? 224 ARG A O 1 ATOM 1232 C CB . ARG A 1 196 ? 7.016 50.096 3.506 1.00 102.85 ? 224 ARG A CB 1 ATOM 1233 N N . TRP A 1 197 ? 4.908 50.118 0.665 1.00 73.53 ? 225 TRP A N 1 ATOM 1234 C CA . TRP A 1 197 ? 3.947 49.402 -0.176 1.00 73.03 ? 225 TRP A CA 1 ATOM 1235 C C . TRP A 1 197 ? 4.528 49.134 -1.565 1.00 73.31 ? 225 TRP A C 1 ATOM 1236 O O . TRP A 1 197 ? 5.585 49.654 -1.941 1.00 74.93 ? 225 TRP A O 1 ATOM 1237 C CB . TRP A 1 197 ? 2.686 50.238 -0.360 1.00 79.84 ? 225 TRP A CB 1 ATOM 1238 C CG . TRP A 1 197 ? 3.016 51.446 -1.201 1.00 88.05 ? 225 TRP A CG 1 ATOM 1239 C CD1 . TRP A 1 197 ? 3.697 52.547 -0.801 1.00 90.28 ? 225 TRP A CD1 1 ATOM 1240 C CD2 . TRP A 1 197 ? 2.670 51.666 -2.580 1.00 89.52 ? 225 TRP A CD2 1 ATOM 1241 N NE1 . TRP A 1 197 ? 3.809 53.439 -1.837 1.00 96.64 ? 225 TRP A NE1 1 ATOM 1242 C CE2 . TRP A 1 197 ? 3.180 52.926 -2.939 1.00 89.75 ? 225 TRP A CE2 1 ATOM 1243 C CE3 . TRP A 1 197 ? 1.975 50.922 -3.540 1.00 88.03 ? 225 TRP A CE3 1 ATOM 1244 C CZ2 . TRP A 1 197 ? 3.023 53.464 -4.218 1.00 84.61 ? 225 TRP A CZ2 1 ATOM 1245 C CZ3 . TRP A 1 197 ? 1.824 51.453 -4.811 1.00 82.10 ? 225 TRP A CZ3 1 ATOM 1246 C CH2 . TRP A 1 197 ? 2.347 52.711 -5.138 1.00 78.54 ? 225 TRP A CH2 1 ATOM 1247 N N . GLY A 1 198 ? 3.760 48.406 -2.372 1.00 73.31 ? 226 GLY A N 1 ATOM 1248 C CA . GLY A 1 198 ? 4.130 48.170 -3.759 1.00 78.30 ? 226 GLY A CA 1 ATOM 1249 C C . GLY A 1 198 ? 3.016 47.499 -4.538 1.00 77.96 ? 226 GLY A C 1 ATOM 1250 O O . GLY A 1 198 ? 2.060 46.954 -3.964 1.00 76.68 ? 226 GLY A O 1 ATOM 1251 N N . PHE A 1 199 ? 3.143 47.552 -5.862 1.00 70.15 ? 227 PHE A N 1 ATOM 1252 C CA . PHE A 1 199 ? 2.144 46.889 -6.698 1.00 78.71 ? 227 PHE A CA 1 ATOM 1253 C C . PHE A 1 199 ? 2.248 45.368 -6.601 1.00 66.89 ? 227 PHE A C 1 ATOM 1254 O O . PHE A 1 199 ? 3.290 44.806 -6.250 1.00 67.22 ? 227 PHE A O 1 ATOM 1255 C CB . PHE A 1 199 ? 2.299 47.305 -8.152 1.00 83.92 ? 227 PHE A CB 1 ATOM 1256 C CG . PHE A 1 199 ? 2.075 48.758 -8.371 1.00 84.78 ? 227 PHE A CG 1 ATOM 1257 C CD1 . PHE A 1 199 ? 0.799 49.251 -8.565 1.00 81.75 ? 227 PHE A CD1 1 ATOM 1258 C CD2 . PHE A 1 199 ? 3.138 49.642 -8.346 1.00 83.32 ? 227 PHE A CD2 1 ATOM 1259 C CE1 . PHE A 1 199 ? 0.595 50.602 -8.761 1.00 81.86 ? 227 PHE A CE1 1 ATOM 1260 C CE2 . PHE A 1 199 ? 2.938 50.992 -8.544 1.00 83.43 ? 227 PHE A CE2 1 ATOM 1261 C CZ . PHE A 1 199 ? 1.664 51.473 -8.748 1.00 79.42 ? 227 PHE A CZ 1 ATOM 1262 N N . CYS A 1 200 ? 1.144 44.705 -6.914 1.00 62.91 ? 228 CYS A N 1 ATOM 1263 C CA . CYS A 1 200 ? 1.074 43.248 -6.906 1.00 70.56 ? 228 CYS A CA 1 ATOM 1264 C C . CYS A 1 200 ? 1.433 42.661 -8.267 1.00 73.34 ? 228 CYS A C 1 ATOM 1265 O O . CYS A 1 200 ? 1.032 43.207 -9.297 1.00 74.85 ? 228 CYS A O 1 ATOM 1266 C CB . CYS A 1 200 ? -0.315 42.793 -6.536 1.00 89.22 ? 228 CYS A CB 1 ATOM 1267 S SG . CYS A 1 200 ? -0.684 43.155 -4.856 1.00 106.51 ? 228 CYS A SG 1 ATOM 1268 N N . PRO A 1 201 ? 2.160 41.541 -8.288 1.00 71.83 ? 229 PRO A N 1 ATOM 1269 C CA . PRO A 1 201 ? 2.405 40.851 -9.561 1.00 81.18 ? 229 PRO A CA 1 ATOM 1270 C C . PRO A 1 201 ? 1.088 40.385 -10.153 1.00 80.15 ? 229 PRO A C 1 ATOM 1271 O O . PRO A 1 201 ? 0.267 39.761 -9.484 1.00 78.27 ? 229 PRO A O 1 ATOM 1272 C CB . PRO A 1 201 ? 3.289 39.665 -9.161 1.00 77.58 ? 229 PRO A CB 1 ATOM 1273 C CG . PRO A 1 201 ? 2.843 39.372 -7.773 1.00 64.48 ? 229 PRO A CG 1 ATOM 1274 C CD . PRO A 1 201 ? 2.584 40.717 -7.146 1.00 47.38 ? 229 PRO A CD 1 ATOM 1275 N N . ILE A 1 202 ? 0.888 40.687 -11.413 1.00 78.64 ? 230 ILE A N 1 ATOM 1276 C CA . ILE A 1 202 ? -0.330 40.303 -12.094 1.00 89.48 ? 230 ILE A CA 1 ATOM 1277 C C . ILE A 1 202 ? 0.020 39.230 -13.125 1.00 90.66 ? 230 ILE A C 1 ATOM 1278 O O . ILE A 1 202 ? 0.937 39.414 -13.939 1.00 87.58 ? 230 ILE A O 1 ATOM 1279 C CB . ILE A 1 202 ? -0.946 41.565 -12.719 1.00 92.78 ? 230 ILE A CB 1 ATOM 1280 C CG1 . ILE A 1 202 ? -1.811 42.258 -11.677 1.00 82.88 ? 230 ILE A CG1 1 ATOM 1281 C CG2 . ILE A 1 202 ? -1.736 41.225 -13.979 1.00 104.55 ? 230 ILE A CG2 1 ATOM 1282 C CD1 . ILE A 1 202 ? -2.392 43.563 -12.148 1.00 91.81 ? 230 ILE A CD1 1 ATOM 1283 N N . LYS A 1 203 ? -0.801 38.186 -13.199 1.00 88.56 ? 231 LYS A N 1 ATOM 1284 C CA . LYS A 1 203 ? -0.708 37.252 -14.309 1.00 87.35 ? 231 LYS A CA 1 ATOM 1285 C C . LYS A 1 203 ? -1.677 37.709 -15.369 1.00 101.49 ? 231 LYS A C 1 ATOM 1286 O O . LYS A 1 203 ? -2.896 37.629 -15.205 1.00 109.09 ? 231 LYS A O 1 ATOM 1287 C CB . LYS A 1 203 ? -1.016 35.807 -13.908 1.00 81.44 ? 231 LYS A CB 1 ATOM 1288 C CG . LYS A 1 203 ? 0.041 35.129 -13.058 1.00 80.71 ? 231 LYS A CG 1 ATOM 1289 C CD . LYS A 1 203 ? -0.168 33.613 -13.079 1.00 89.27 ? 231 LYS A CD 1 ATOM 1290 C CE . LYS A 1 203 ? 0.666 32.882 -12.026 1.00 92.25 ? 231 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 203 ? 0.157 33.007 -10.629 1.00 93.75 ? 231 LYS A NZ 1 ATOM 1292 N N . SER A 1 204 ? -1.109 38.211 -16.447 1.00 105.97 ? 232 SER A N 1 ATOM 1293 C CA . SER A 1 204 ? -1.844 38.849 -17.506 1.00 113.63 ? 232 SER A CA 1 ATOM 1294 C C . SER A 1 204 ? -1.299 38.315 -18.809 1.00 125.40 ? 232 SER A C 1 ATOM 1295 O O . SER A 1 204 ? -0.165 37.838 -18.892 1.00 124.70 ? 232 SER A O 1 ATOM 1296 C CB . SER A 1 204 ? -1.677 40.381 -17.462 1.00 103.16 ? 232 SER A CB 1 ATOM 1297 O OG . SER A 1 204 ? -2.211 41.024 -18.611 1.00 100.89 ? 232 SER A OG 1 ATOM 1298 N N . ASN A 1 205 ? -2.138 38.367 -19.816 1.00 146.26 ? 233 ASN A N 1 ATOM 1299 C CA . ASN A 1 205 ? -1.721 38.066 -21.164 1.00 165.40 ? 233 ASN A CA 1 ATOM 1300 C C . ASN A 1 205 ? -1.429 39.353 -21.888 1.00 164.01 ? 233 ASN A C 1 ATOM 1301 O O . ASN A 1 205 ? -1.095 39.326 -23.074 1.00 168.13 ? 233 ASN A O 1 ATOM 1302 C CB . ASN A 1 205 ? -2.752 37.220 -21.909 1.00 182.92 ? 233 ASN A CB 1 ATOM 1303 C CG . ASN A 1 205 ? -2.830 35.810 -21.368 1.00 190.02 ? 233 ASN A CG 1 ATOM 1304 O OD1 . ASN A 1 205 ? -1.972 34.976 -21.667 1.00 189.44 ? 233 ASN A OD1 1 ATOM 1305 N ND2 . ASN A 1 205 ? -3.842 35.539 -20.554 1.00 194.55 ? 233 ASN A ND2 1 ATOM 1306 N N . ASP A 1 206 ? -1.556 40.485 -21.198 1.00 157.05 ? 234 ASP A N 1 ATOM 1307 C CA . ASP A 1 206 ? -1.073 41.705 -21.792 1.00 156.38 ? 234 ASP A CA 1 ATOM 1308 C C . ASP A 1 206 ? 0.081 42.286 -20.989 1.00 140.71 ? 234 ASP A C 1 ATOM 1309 O O . ASP A 1 206 ? 0.403 41.855 -19.876 1.00 120.39 ? 234 ASP A O 1 ATOM 1310 C CB . ASP A 1 206 ? -2.222 42.718 -21.864 1.00 164.69 ? 234 ASP A CB 1 ATOM 1311 C CG . ASP A 1 206 ? -3.392 42.211 -22.699 1.00 174.78 ? 234 ASP A CG 1 ATOM 1312 O OD1 . ASP A 1 206 ? -3.184 41.271 -23.494 1.00 176.57 ? 234 ASP A OD1 1 ATOM 1313 O OD2 . ASP A 1 206 ? -4.524 42.725 -22.539 1.00 178.22 ? 234 ASP A OD2 1 ATOM 1314 N N . CYS A 1 207 ? 0.619 43.349 -21.570 1.00 145.20 ? 235 CYS A N 1 ATOM 1315 C CA . CYS A 1 207 ? 1.739 44.131 -21.080 1.00 144.27 ? 235 CYS A CA 1 ATOM 1316 C C . CYS A 1 207 ? 1.358 45.434 -20.405 1.00 145.59 ? 235 CYS A C 1 ATOM 1317 O O . CYS A 1 207 ? 2.246 46.263 -20.183 1.00 150.52 ? 235 CYS A O 1 ATOM 1318 C CB . CYS A 1 207 ? 2.714 44.353 -22.229 1.00 151.95 ? 235 CYS A CB 1 ATOM 1319 S SG . CYS A 1 207 ? 3.098 42.716 -22.921 1.00 163.07 ? 235 CYS A SG 1 ATOM 1320 N N . GLU A 1 208 ? 0.074 45.677 -20.144 1.00 121.48 ? 236 GLU A N 1 ATOM 1321 C CA . GLU A 1 208 ? -0.332 47.012 -19.720 1.00 105.33 ? 236 GLU A CA 1 ATOM 1322 C C . GLU A 1 208 ? 0.496 47.494 -18.527 1.00 100.70 ? 236 GLU A C 1 ATOM 1323 O O . GLU A 1 208 ? 0.670 46.785 -17.533 1.00 92.54 ? 236 GLU A O 1 ATOM 1324 C CB . GLU A 1 208 ? -1.824 47.003 -19.382 1.00 91.70 ? 236 GLU A CB 1 ATOM 1325 N N . THR A 1 209 ? 1.082 48.683 -18.703 1.00 102.08 ? 237 THR A N 1 ATOM 1326 C CA . THR A 1 209 ? 1.591 49.657 -17.733 1.00 111.89 ? 237 THR A CA 1 ATOM 1327 C C . THR A 1 209 ? 2.894 49.240 -17.049 1.00 102.00 ? 237 THR A C 1 ATOM 1328 O O . THR A 1 209 ? 3.670 50.105 -16.625 1.00 108.59 ? 237 THR A O 1 ATOM 1329 C CB . THR A 1 209 ? 0.537 49.974 -16.653 1.00 122.04 ? 237 THR A CB 1 ATOM 1330 O OG1 . THR A 1 209 ? 0.244 48.810 -15.872 1.00 124.13 ? 237 THR A OG1 1 ATOM 1331 C CG2 . THR A 1 209 ? -0.757 50.481 -17.284 1.00 131.41 ? 237 THR A CG2 1 ATOM 1332 N N . PHE A 1 210 ? 3.166 47.938 -16.956 1.00 91.05 ? 238 PHE A N 1 ATOM 1333 C CA . PHE A 1 210 ? 4.363 47.438 -16.284 1.00 80.27 ? 238 PHE A CA 1 ATOM 1334 C C . PHE A 1 210 ? 5.429 46.865 -17.204 1.00 78.36 ? 238 PHE A C 1 ATOM 1335 O O . PHE A 1 210 ? 6.322 46.179 -16.709 1.00 76.39 ? 238 PHE A O 1 ATOM 1336 C CB . PHE A 1 210 ? 3.991 46.422 -15.214 1.00 59.52 ? 238 PHE A CB 1 ATOM 1337 C CG . PHE A 1 210 ? 3.210 47.021 -14.140 1.00 60.81 ? 238 PHE A CG 1 ATOM 1338 C CD1 . PHE A 1 210 ? 3.809 47.913 -13.275 1.00 66.99 ? 238 PHE A CD1 1 ATOM 1339 C CD2 . PHE A 1 210 ? 1.883 46.732 -13.993 1.00 68.80 ? 238 PHE A CD2 1 ATOM 1340 C CE1 . PHE A 1 210 ? 3.089 48.515 -12.277 1.00 69.76 ? 238 PHE A CE1 1 ATOM 1341 C CE2 . PHE A 1 210 ? 1.145 47.322 -12.984 1.00 74.94 ? 238 PHE A CE2 1 ATOM 1342 C CZ . PHE A 1 210 ? 1.754 48.210 -12.125 1.00 75.48 ? 238 PHE A CZ 1 ATOM 1343 N N . TRP A 1 211 ? 5.301 47.008 -18.521 1.00 88.77 ? 239 TRP A N 1 ATOM 1344 C CA . TRP A 1 211 ? 6.213 46.341 -19.446 1.00 82.70 ? 239 TRP A CA 1 ATOM 1345 C C . TRP A 1 211 ? 6.623 47.279 -20.573 1.00 75.81 ? 239 TRP A C 1 ATOM 1346 O O . TRP A 1 211 ? 5.840 48.124 -21.011 1.00 79.81 ? 239 TRP A O 1 ATOM 1347 C CB . TRP A 1 211 ? 5.550 45.074 -20.008 1.00 86.88 ? 239 TRP A CB 1 ATOM 1348 C CG . TRP A 1 211 ? 5.134 44.142 -18.916 1.00 78.52 ? 239 TRP A CG 1 ATOM 1349 C CD1 . TRP A 1 211 ? 3.994 44.211 -18.164 1.00 81.74 ? 239 TRP A CD1 1 ATOM 1350 C CD2 . TRP A 1 211 ? 5.848 42.987 -18.463 1.00 76.02 ? 239 TRP A CD2 1 ATOM 1351 N NE1 . TRP A 1 211 ? 3.964 43.174 -17.263 1.00 80.49 ? 239 TRP A NE1 1 ATOM 1352 C CE2 . TRP A 1 211 ? 5.095 42.414 -17.420 1.00 70.29 ? 239 TRP A CE2 1 ATOM 1353 C CE3 . TRP A 1 211 ? 7.057 42.389 -18.833 1.00 67.92 ? 239 TRP A CE3 1 ATOM 1354 C CZ2 . TRP A 1 211 ? 5.510 41.272 -16.740 1.00 61.69 ? 239 TRP A CZ2 1 ATOM 1355 C CZ3 . TRP A 1 211 ? 7.466 41.256 -18.164 1.00 71.71 ? 239 TRP A CZ3 1 ATOM 1356 C CH2 . TRP A 1 211 ? 6.692 40.705 -17.126 1.00 68.47 ? 239 TRP A CH2 1 ATOM 1357 N N . ASP A 1 212 ? 7.854 47.106 -21.056 1.00 73.37 ? 240 ASP A N 1 ATOM 1358 C CA . ASP A 1 212 ? 8.252 47.587 -22.380 1.00 85.84 ? 240 ASP A CA 1 ATOM 1359 C C . ASP A 1 212 ? 8.047 46.524 -23.448 1.00 81.75 ? 240 ASP A C 1 ATOM 1360 O O . ASP A 1 212 ? 8.445 45.366 -23.290 1.00 78.29 ? 240 ASP A O 1 ATOM 1361 C CB . ASP A 1 212 ? 9.697 48.075 -22.385 1.00 93.64 ? 240 ASP A CB 1 ATOM 1362 C CG . ASP A 1 212 ? 9.910 49.225 -21.435 1.00 102.43 ? 240 ASP A CG 1 ATOM 1363 O OD1 . ASP A 1 212 ? 8.923 49.946 -21.200 1.00 106.94 ? 240 ASP A OD1 1 ATOM 1364 O OD2 . ASP A 1 212 ? 11.030 49.401 -20.907 1.00 108.62 ? 240 ASP A OD2 1 ATOM 1365 N N . LYS A 1 213 ? 7.435 46.937 -24.538 1.00 89.56 ? 241 LYS A N 1 ATOM 1366 C CA . LYS A 1 213 ? 7.216 46.088 -25.692 1.00 95.10 ? 241 LYS A CA 1 ATOM 1367 C C . LYS A 1 213 ? 8.220 46.452 -26.774 1.00 99.98 ? 241 LYS A C 1 ATOM 1368 O O . LYS A 1 213 ? 8.438 47.637 -27.050 1.00 98.57 ? 241 LYS A O 1 ATOM 1369 C CB . LYS A 1 213 ? 5.772 46.253 -26.179 1.00 99.65 ? 241 LYS A CB 1 ATOM 1370 C CG . LYS A 1 213 ? 5.318 45.440 -27.395 1.00 107.86 ? 241 LYS A CG 1 ATOM 1371 C CD . LYS A 1 213 ? 4.082 46.136 -28.008 1.00 120.00 ? 241 LYS A CD 1 ATOM 1372 C CE . LYS A 1 213 ? 3.295 45.277 -28.985 1.00 131.08 ? 241 LYS A CE 1 ATOM 1373 N NZ . LYS A 1 213 ? 3.986 45.142 -30.301 1.00 142.42 ? 241 LYS A NZ 1 ATOM 1374 N N . ASP A 1 214 ? 8.906 45.442 -27.306 1.00 96.36 ? 242 ASP A N 1 ATOM 1375 C CA . ASP A 1 214 ? 9.688 45.650 -28.514 1.00 91.59 ? 242 ASP A CA 1 ATOM 1376 C C . ASP A 1 214 ? 8.692 45.620 -29.666 1.00 93.12 ? 242 ASP A C 1 ATOM 1377 O O . ASP A 1 214 ? 8.054 44.593 -29.917 1.00 92.05 ? 242 ASP A O 1 ATOM 1378 C CB . ASP A 1 214 ? 10.757 44.568 -28.643 1.00 87.50 ? 242 ASP A CB 1 ATOM 1379 C CG . ASP A 1 214 ? 11.624 44.730 -29.883 1.00 94.21 ? 242 ASP A CG 1 ATOM 1380 O OD1 . ASP A 1 214 ? 11.351 45.632 -30.707 1.00 100.50 ? 242 ASP A OD1 1 ATOM 1381 O OD2 . ASP A 1 214 ? 12.581 43.934 -30.032 1.00 90.00 ? 242 ASP A OD2 1 ATOM 1382 N N . GLN A 1 215 ? 8.601 46.724 -30.405 1.00 102.76 ? 243 GLN A N 1 ATOM 1383 C CA . GLN A 1 215 ? 7.612 46.794 -31.470 1.00 115.42 ? 243 GLN A CA 1 ATOM 1384 C C . GLN A 1 215 ? 7.893 45.773 -32.551 1.00 122.94 ? 243 GLN A C 1 ATOM 1385 O O . GLN A 1 215 ? 6.969 45.308 -33.224 1.00 132.88 ? 243 GLN A O 1 ATOM 1386 C CB . GLN A 1 215 ? 7.561 48.204 -32.045 1.00 127.50 ? 243 GLN A CB 1 ATOM 1387 C CG . GLN A 1 215 ? 7.063 49.217 -31.035 1.00 129.57 ? 243 GLN A CG 1 ATOM 1388 C CD . GLN A 1 215 ? 5.548 49.251 -30.943 1.00 133.94 ? 243 GLN A CD 1 ATOM 1389 O OE1 . GLN A 1 215 ? 4.958 48.711 -30.004 1.00 122.46 ? 243 GLN A OE1 1 ATOM 1390 N NE2 . GLN A 1 215 ? 4.910 49.885 -31.920 1.00 148.64 ? 243 GLN A NE2 1 ATOM 1391 N N . LEU A 1 216 ? 9.149 45.386 -32.714 1.00 117.88 ? 244 LEU A N 1 ATOM 1392 C CA . LEU A 1 216 ? 9.464 44.538 -33.846 1.00 119.82 ? 244 LEU A CA 1 ATOM 1393 C C . LEU A 1 216 ? 9.095 43.088 -33.558 1.00 114.19 ? 244 LEU A C 1 ATOM 1394 O O . LEU A 1 216 ? 8.449 42.442 -34.389 1.00 121.56 ? 244 LEU A O 1 ATOM 1395 C CB . LEU A 1 216 ? 10.942 44.682 -34.224 1.00 121.67 ? 244 LEU A CB 1 ATOM 1396 C CG . LEU A 1 216 ? 11.445 46.122 -34.425 1.00 129.28 ? 244 LEU A CG 1 ATOM 1397 C CD1 . LEU A 1 216 ? 12.789 46.149 -35.147 1.00 127.77 ? 244 LEU A CD1 1 ATOM 1398 C CD2 . LEU A 1 216 ? 10.427 46.992 -35.160 1.00 141.28 ? 244 LEU A CD2 1 ATOM 1399 N N . THR A 1 217 ? 9.409 42.582 -32.359 1.00 101.90 ? 245 THR A N 1 ATOM 1400 C CA . THR A 1 217 ? 9.108 41.193 -32.023 1.00 92.83 ? 245 THR A CA 1 ATOM 1401 C C . THR A 1 217 ? 7.847 40.983 -31.196 1.00 88.01 ? 245 THR A C 1 ATOM 1402 O O . THR A 1 217 ? 7.470 39.831 -30.960 1.00 83.15 ? 245 THR A O 1 ATOM 1403 C CB . THR A 1 217 ? 10.291 40.578 -31.281 1.00 85.73 ? 245 THR A CB 1 ATOM 1404 O OG1 . THR A 1 217 ? 10.476 41.251 -30.025 1.00 90.69 ? 245 THR A OG1 1 ATOM 1405 C CG2 . THR A 1 217 ? 11.531 40.745 -32.124 1.00 70.82 ? 245 THR A CG2 1 ATOM 1406 N N . ASP A 1 218 ? 7.199 42.043 -30.737 1.00 92.46 ? 246 ASP A N 1 ATOM 1407 C CA . ASP A 1 218 ? 6.105 41.934 -29.769 1.00 100.13 ? 246 ASP A CA 1 ATOM 1408 C C . ASP A 1 218 ? 6.498 41.176 -28.489 1.00 86.31 ? 246 ASP A C 1 ATOM 1409 O O . ASP A 1 218 ? 5.637 40.634 -27.789 1.00 74.80 ? 246 ASP A O 1 ATOM 1410 C CB . ASP A 1 218 ? 4.881 41.272 -30.424 1.00 117.59 ? 246 ASP A CB 1 ATOM 1411 C CG . ASP A 1 218 ? 4.295 42.108 -31.562 1.00 132.54 ? 246 ASP A CG 1 ATOM 1412 O OD1 . ASP A 1 218 ? 4.562 43.327 -31.596 1.00 142.08 ? 246 ASP A OD1 1 ATOM 1413 O OD2 . ASP A 1 218 ? 3.601 41.540 -32.443 1.00 134.96 ? 246 ASP A OD2 1 ATOM 1414 N N . SER A 1 219 ? 7.774 41.123 -28.129 1.00 82.83 ? 247 SER A N 1 ATOM 1415 C CA . SER A 1 219 ? 8.114 40.608 -26.812 1.00 81.92 ? 247 SER A CA 1 ATOM 1416 C C . SER A 1 219 ? 8.009 41.726 -25.784 1.00 92.37 ? 247 SER A C 1 ATOM 1417 O O . SER A 1 219 ? 8.290 42.891 -26.081 1.00 99.54 ? 247 SER A O 1 ATOM 1418 C CB . SER A 1 219 ? 9.517 40.026 -26.810 1.00 88.46 ? 247 SER A CB 1 ATOM 1419 O OG . SER A 1 219 ? 9.606 38.951 -27.726 1.00 97.70 ? 247 SER A OG 1 ATOM 1420 N N . CYS A 1 220 ? 7.602 41.368 -24.567 1.00 88.57 ? 248 CYS A N 1 ATOM 1421 C CA . CYS A 1 220 ? 7.483 42.326 -23.471 1.00 81.68 ? 248 CYS A CA 1 ATOM 1422 C C . CYS A 1 220 ? 8.551 42.102 -22.410 1.00 76.80 ? 248 CYS A C 1 ATOM 1423 O O . CYS A 1 220 ? 8.887 40.959 -22.079 1.00 82.86 ? 248 CYS A O 1 ATOM 1424 C CB . CYS A 1 220 ? 6.107 42.254 -22.827 1.00 84.76 ? 248 CYS A CB 1 ATOM 1425 S SG . CYS A 1 220 ? 4.851 42.874 -23.937 1.00 106.55 ? 248 CYS A SG 1 ATOM 1426 N N . TYR A 1 221 ? 9.034 43.208 -21.846 1.00 68.99 ? 249 TYR A N 1 ATOM 1427 C CA . TYR A 1 221 ? 10.123 43.206 -20.882 1.00 70.89 ? 249 TYR A CA 1 ATOM 1428 C C . TYR A 1 221 ? 9.778 44.063 -19.665 1.00 75.03 ? 249 TYR A C 1 ATOM 1429 O O . TYR A 1 221 ? 9.018 45.033 -19.759 1.00 78.69 ? 249 TYR A O 1 ATOM 1430 C CB . TYR A 1 221 ? 11.381 43.712 -21.548 1.00 72.71 ? 249 TYR A CB 1 ATOM 1431 C CG . TYR A 1 221 ? 11.761 42.878 -22.758 1.00 90.15 ? 249 TYR A CG 1 ATOM 1432 C CD1 . TYR A 1 221 ? 12.456 41.686 -22.608 1.00 93.30 ? 249 TYR A CD1 1 ATOM 1433 C CD2 . TYR A 1 221 ? 11.441 43.286 -24.051 1.00 94.61 ? 249 TYR A CD2 1 ATOM 1434 C CE1 . TYR A 1 221 ? 12.818 40.920 -23.700 1.00 91.12 ? 249 TYR A CE1 1 ATOM 1435 C CE2 . TYR A 1 221 ? 11.804 42.521 -25.156 1.00 91.97 ? 249 TYR A CE2 1 ATOM 1436 C CZ . TYR A 1 221 ? 12.493 41.336 -24.968 1.00 87.90 ? 249 TYR A CZ 1 ATOM 1437 O OH . TYR A 1 221 ? 12.865 40.542 -26.034 1.00 83.33 ? 249 TYR A OH 1 ATOM 1438 N N . GLN A 1 222 ? 10.334 43.688 -18.511 1.00 65.75 ? 250 GLN A N 1 ATOM 1439 C CA . GLN A 1 222 ? 10.170 44.445 -17.272 1.00 55.50 ? 250 GLN A CA 1 ATOM 1440 C C . GLN A 1 222 ? 11.533 44.579 -16.628 1.00 60.08 ? 250 GLN A C 1 ATOM 1441 O O . GLN A 1 222 ? 12.130 43.562 -16.249 1.00 73.10 ? 250 GLN A O 1 ATOM 1442 C CB . GLN A 1 222 ? 9.253 43.727 -16.296 1.00 59.53 ? 250 GLN A CB 1 ATOM 1443 C CG . GLN A 1 222 ? 8.570 44.622 -15.300 1.00 65.91 ? 250 GLN A CG 1 ATOM 1444 C CD . GLN A 1 222 ? 7.698 43.828 -14.342 1.00 69.19 ? 250 GLN A CD 1 ATOM 1445 O OE1 . GLN A 1 222 ? 8.038 42.708 -13.963 1.00 60.10 ? 250 GLN A OE1 1 ATOM 1446 N NE2 . GLN A 1 222 ? 6.483 44.315 -14.122 1.00 76.03 ? 250 GLN A NE2 1 ATOM 1447 N N . PHE A 1 223 ? 12.032 45.811 -16.491 1.00 64.26 ? 251 PHE A N 1 ATOM 1448 C CA . PHE A 1 223 ? 13.288 46.028 -15.777 1.00 67.59 ? 251 PHE A CA 1 ATOM 1449 C C . PHE A 1 223 ? 12.988 46.574 -14.379 1.00 73.40 ? 251 PHE A C 1 ATOM 1450 O O . PHE A 1 223 ? 12.579 47.732 -14.225 1.00 70.53 ? 251 PHE A O 1 ATOM 1451 C CB . PHE A 1 223 ? 14.252 46.965 -16.504 1.00 67.09 ? 251 PHE A CB 1 ATOM 1452 C CG . PHE A 1 223 ? 14.757 46.454 -17.817 1.00 69.01 ? 251 PHE A CG 1 ATOM 1453 C CD1 . PHE A 1 223 ? 14.142 45.436 -18.495 1.00 86.08 ? 251 PHE A CD1 1 ATOM 1454 C CD2 . PHE A 1 223 ? 15.985 46.872 -18.265 1.00 74.86 ? 251 PHE A CD2 1 ATOM 1455 C CE1 . PHE A 1 223 ? 14.654 44.969 -19.697 1.00 90.31 ? 251 PHE A CE1 1 ATOM 1456 C CE2 . PHE A 1 223 ? 16.517 46.390 -19.442 1.00 80.57 ? 251 PHE A CE2 1 ATOM 1457 C CZ . PHE A 1 223 ? 15.848 45.436 -20.155 1.00 85.81 ? 251 PHE A CZ 1 ATOM 1458 N N . ASN A 1 224 ? 13.230 45.756 -13.360 1.00 62.81 ? 252 ASN A N 1 ATOM 1459 C CA . ASN A 1 224 ? 12.958 46.155 -11.985 1.00 61.99 ? 252 ASN A CA 1 ATOM 1460 C C . ASN A 1 224 ? 14.306 46.553 -11.393 1.00 62.13 ? 252 ASN A C 1 ATOM 1461 O O . ASN A 1 224 ? 15.012 45.729 -10.800 1.00 71.60 ? 252 ASN A O 1 ATOM 1462 C CB . ASN A 1 224 ? 12.321 44.980 -11.242 1.00 53.75 ? 252 ASN A CB 1 ATOM 1463 C CG . ASN A 1 224 ? 10.990 44.562 -11.846 1.00 61.73 ? 252 ASN A CG 1 ATOM 1464 O OD1 . ASN A 1 224 ? 10.840 43.435 -12.336 1.00 64.42 ? 252 ASN A OD1 1 ATOM 1465 N ND2 . ASN A 1 224 ? 9.998 45.448 -11.763 1.00 60.09 ? 252 ASN A ND2 1 ATOM 1466 N N . PHE A 1 225 ? 14.607 47.861 -11.478 1.00 76.94 ? 253 PHE A N 1 ATOM 1467 C CA . PHE A 1 225 ? 15.872 48.428 -11.008 1.00 66.57 ? 253 PHE A CA 1 ATOM 1468 C C . PHE A 1 225 ? 15.859 48.701 -9.498 1.00 77.34 ? 253 PHE A C 1 ATOM 1469 O O . PHE A 1 225 ? 16.901 48.603 -8.824 1.00 70.47 ? 253 PHE A O 1 ATOM 1470 C CB . PHE A 1 225 ? 16.180 49.741 -11.742 1.00 75.94 ? 253 PHE A CB 1 ATOM 1471 C CG . PHE A 1 225 ? 16.473 49.612 -13.236 1.00 77.07 ? 253 PHE A CG 1 ATOM 1472 C CD1 . PHE A 1 225 ? 17.734 49.218 -13.686 1.00 73.25 ? 253 PHE A CD1 1 ATOM 1473 C CD2 . PHE A 1 225 ? 15.524 49.986 -14.182 1.00 70.73 ? 253 PHE A CD2 1 ATOM 1474 C CE1 . PHE A 1 225 ? 18.021 49.146 -15.041 1.00 75.38 ? 253 PHE A CE1 1 ATOM 1475 C CE2 . PHE A 1 225 ? 15.799 49.911 -15.535 1.00 65.81 ? 253 PHE A CE2 1 ATOM 1476 C CZ . PHE A 1 225 ? 17.046 49.490 -15.969 1.00 74.84 ? 253 PHE A CZ 1 ATOM 1477 N N . GLN A 1 226 ? 14.698 49.065 -8.948 1.00 75.59 ? 254 GLN A N 1 ATOM 1478 C CA . GLN A 1 226 ? 14.649 49.355 -7.523 1.00 82.68 ? 254 GLN A CA 1 ATOM 1479 C C . GLN A 1 226 ? 14.746 48.084 -6.711 1.00 76.41 ? 254 GLN A C 1 ATOM 1480 O O . GLN A 1 226 ? 15.303 48.088 -5.604 1.00 75.47 ? 254 GLN A O 1 ATOM 1481 C CB . GLN A 1 226 ? 13.378 50.135 -7.183 1.00 79.53 ? 254 GLN A CB 1 ATOM 1482 C CG . GLN A 1 226 ? 13.384 51.456 -7.905 1.00 86.67 ? 254 GLN A CG 1 ATOM 1483 C CD . GLN A 1 226 ? 14.677 52.185 -7.644 1.00 102.41 ? 254 GLN A CD 1 ATOM 1484 O OE1 . GLN A 1 226 ? 15.080 52.394 -6.485 1.00 107.37 ? 254 GLN A OE1 1 ATOM 1485 N NE2 . GLN A 1 226 ? 15.402 52.473 -8.722 1.00 104.96 ? 254 GLN A NE2 1 ATOM 1486 N N . SER A 1 227 ? 14.236 46.991 -7.256 1.00 73.88 ? 255 SER A N 1 ATOM 1487 C CA . SER A 1 227 ? 14.220 45.748 -6.516 1.00 67.78 ? 255 SER A CA 1 ATOM 1488 C C . SER A 1 227 ? 15.637 45.278 -6.245 1.00 71.43 ? 255 SER A C 1 ATOM 1489 O O . SER A 1 227 ? 16.583 45.589 -6.975 1.00 70.33 ? 255 SER A O 1 ATOM 1490 C CB . SER A 1 227 ? 13.450 44.689 -7.280 1.00 62.85 ? 255 SER A CB 1 ATOM 1491 O OG . SER A 1 227 ? 12.087 45.052 -7.389 1.00 90.35 ? 255 SER A OG 1 ATOM 1492 N N . THR A 1 228 ? 15.789 44.598 -5.126 1.00 71.77 ? 256 THR A N 1 ATOM 1493 C CA . THR A 1 228 ? 16.994 43.849 -4.823 1.00 68.39 ? 256 THR A CA 1 ATOM 1494 C C . THR A 1 228 ? 16.486 42.497 -4.368 1.00 70.17 ? 256 THR A C 1 ATOM 1495 O O . THR A 1 228 ? 15.986 42.369 -3.249 1.00 82.80 ? 256 THR A O 1 ATOM 1496 C CB . THR A 1 228 ? 17.803 44.561 -3.738 1.00 73.12 ? 256 THR A CB 1 ATOM 1497 O OG1 . THR A 1 228 ? 16.979 44.716 -2.581 1.00 77.89 ? 256 THR A OG1 1 ATOM 1498 C CG2 . THR A 1 228 ? 18.151 45.950 -4.186 1.00 64.66 ? 256 THR A CG2 1 ATOM 1499 N N . LEU A 1 229 ? 16.630 41.490 -5.214 1.00 69.71 ? 257 LEU A N 1 ATOM 1500 C CA . LEU A 1 229 ? 16.170 40.148 -4.898 1.00 61.52 ? 257 LEU A CA 1 ATOM 1501 C C . LEU A 1 229 ? 17.272 39.161 -5.232 1.00 67.68 ? 257 LEU A C 1 ATOM 1502 O O . LEU A 1 229 ? 18.098 39.410 -6.116 1.00 68.02 ? 257 LEU A O 1 ATOM 1503 C CB . LEU A 1 229 ? 14.896 39.779 -5.666 1.00 62.64 ? 257 LEU A CB 1 ATOM 1504 C CG . LEU A 1 229 ? 13.660 40.594 -5.287 1.00 70.97 ? 257 LEU A CG 1 ATOM 1505 C CD1 . LEU A 1 229 ? 12.474 40.259 -6.177 1.00 66.69 ? 257 LEU A CD1 1 ATOM 1506 C CD2 . LEU A 1 229 ? 13.327 40.377 -3.812 1.00 72.89 ? 257 LEU A CD2 1 ATOM 1507 N N . SER A 1 230 ? 17.280 38.048 -4.502 1.00 61.15 ? 258 SER A N 1 ATOM 1508 C CA . SER A 1 230 ? 18.090 36.909 -4.886 1.00 70.12 ? 258 SER A CA 1 ATOM 1509 C C . SER A 1 230 ? 17.569 36.338 -6.194 1.00 70.15 ? 258 SER A C 1 ATOM 1510 O O . SER A 1 230 ? 16.421 36.558 -6.586 1.00 72.65 ? 258 SER A O 1 ATOM 1511 C CB . SER A 1 230 ? 18.027 35.813 -3.833 1.00 78.41 ? 258 SER A CB 1 ATOM 1512 O OG . SER A 1 230 ? 16.746 35.207 -3.861 1.00 80.35 ? 258 SER A OG 1 ATOM 1513 N N . TRP A 1 231 ? 18.422 35.576 -6.869 1.00 77.88 ? 259 TRP A N 1 ATOM 1514 C CA . TRP A 1 231 ? 18.036 35.047 -8.169 1.00 69.43 ? 259 TRP A CA 1 ATOM 1515 C C . TRP A 1 231 ? 16.767 34.223 -8.050 1.00 68.11 ? 259 TRP A C 1 ATOM 1516 O O . TRP A 1 231 ? 15.836 34.389 -8.836 1.00 67.94 ? 259 TRP A O 1 ATOM 1517 C CB . TRP A 1 231 ? 19.166 34.222 -8.757 1.00 54.99 ? 259 TRP A CB 1 ATOM 1518 C CG . TRP A 1 231 ? 18.897 33.778 -10.160 1.00 59.22 ? 259 TRP A CG 1 ATOM 1519 C CD1 . TRP A 1 231 ? 19.281 34.408 -11.312 1.00 51.82 ? 259 TRP A CD1 1 ATOM 1520 C CD2 . TRP A 1 231 ? 18.174 32.618 -10.563 1.00 58.46 ? 259 TRP A CD2 1 ATOM 1521 N NE1 . TRP A 1 231 ? 18.845 33.712 -12.400 1.00 61.30 ? 259 TRP A NE1 1 ATOM 1522 C CE2 . TRP A 1 231 ? 18.169 32.601 -11.976 1.00 62.13 ? 259 TRP A CE2 1 ATOM 1523 C CE3 . TRP A 1 231 ? 17.539 31.581 -9.871 1.00 54.60 ? 259 TRP A CE3 1 ATOM 1524 C CZ2 . TRP A 1 231 ? 17.550 31.587 -12.713 1.00 53.96 ? 259 TRP A CZ2 1 ATOM 1525 C CZ3 . TRP A 1 231 ? 16.931 30.564 -10.607 1.00 55.75 ? 259 TRP A CZ3 1 ATOM 1526 C CH2 . TRP A 1 231 ? 16.936 30.580 -12.013 1.00 52.36 ? 259 TRP A CH2 1 ATOM 1527 N N . ARG A 1 232 ? 16.687 33.361 -7.036 1.00 78.21 ? 260 ARG A N 1 ATOM 1528 C CA . ARG A 1 232 ? 15.499 32.525 -6.891 1.00 83.02 ? 260 ARG A CA 1 ATOM 1529 C C . ARG A 1 232 ? 14.250 33.347 -6.582 1.00 80.48 ? 260 ARG A C 1 ATOM 1530 O O . ARG A 1 232 ? 13.152 33.001 -7.044 1.00 79.13 ? 260 ARG A O 1 ATOM 1531 C CB . ARG A 1 232 ? 15.728 31.459 -5.816 1.00 89.04 ? 260 ARG A CB 1 ATOM 1532 C CG . ARG A 1 232 ? 16.710 30.385 -6.252 1.00 94.45 ? 260 ARG A CG 1 ATOM 1533 C CD . ARG A 1 232 ? 16.907 29.302 -5.205 1.00 110.05 ? 260 ARG A CD 1 ATOM 1534 N NE . ARG A 1 232 ? 17.841 28.285 -5.684 1.00 125.62 ? 260 ARG A NE 1 ATOM 1535 C CZ . ARG A 1 232 ? 18.293 27.269 -4.954 1.00 142.05 ? 260 ARG A CZ 1 ATOM 1536 N NH1 . ARG A 1 232 ? 17.903 27.125 -3.692 1.00 151.57 ? 260 ARG A NH1 1 ATOM 1537 N NH2 . ARG A 1 232 ? 19.136 26.393 -5.490 1.00 143.13 ? 260 ARG A NH2 1 ATOM 1538 N N . GLU A 1 233 ? 14.382 34.436 -5.824 1.00 68.20 ? 261 GLU A N 1 ATOM 1539 C CA . GLU A 1 233 ? 13.212 35.283 -5.594 1.00 76.20 ? 261 GLU A CA 1 ATOM 1540 C C . GLU A 1 233 ? 12.803 36.016 -6.864 1.00 78.00 ? 261 GLU A C 1 ATOM 1541 O O . GLU A 1 233 ? 11.600 36.206 -7.106 1.00 61.35 ? 261 GLU A O 1 ATOM 1542 C CB . GLU A 1 233 ? 13.485 36.276 -4.471 1.00 69.14 ? 261 GLU A CB 1 ATOM 1543 C CG . GLU A 1 233 ? 13.610 35.612 -3.145 1.00 65.87 ? 261 GLU A CG 1 ATOM 1544 C CD . GLU A 1 233 ? 14.290 36.494 -2.157 1.00 84.27 ? 261 GLU A CD 1 ATOM 1545 O OE1 . GLU A 1 233 ? 14.869 37.519 -2.586 1.00 78.45 ? 261 GLU A OE1 1 ATOM 1546 O OE2 . GLU A 1 233 ? 14.256 36.153 -0.962 1.00 95.85 ? 261 GLU A OE2 1 ATOM 1547 N N . ALA A 1 234 ? 13.790 36.446 -7.675 1.00 60.86 ? 262 ALA A N 1 ATOM 1548 C CA . ALA A 1 234 ? 13.485 37.060 -8.964 1.00 57.31 ? 262 ALA A CA 1 ATOM 1549 C C . ALA A 1 234 ? 12.767 36.063 -9.863 1.00 61.53 ? 262 ALA A C 1 ATOM 1550 O O . ALA A 1 234 ? 11.699 36.358 -10.415 1.00 57.22 ? 262 ALA A O 1 ATOM 1551 C CB . ALA A 1 234 ? 14.760 37.587 -9.624 1.00 55.75 ? 262 ALA A CB 1 ATOM 1552 N N . TRP A 1 235 ? 13.323 34.855 -9.977 1.00 60.76 ? 263 TRP A N 1 ATOM 1553 C CA . TRP A 1 235 ? 12.654 33.755 -10.645 1.00 56.05 ? 263 TRP A CA 1 ATOM 1554 C C . TRP A 1 235 ? 11.205 33.687 -10.210 1.00 69.43 ? 263 TRP A C 1 ATOM 1555 O O . TRP A 1 235 ? 10.286 33.766 -11.033 1.00 68.27 ? 263 TRP A O 1 ATOM 1556 C CB . TRP A 1 235 ? 13.398 32.464 -10.299 1.00 68.63 ? 263 TRP A CB 1 ATOM 1557 C CG . TRP A 1 235 ? 12.514 31.289 -10.342 1.00 86.09 ? 263 TRP A CG 1 ATOM 1558 C CD1 . TRP A 1 235 ? 12.001 30.599 -9.264 1.00 98.30 ? 263 TRP A CD1 1 ATOM 1559 C CD2 . TRP A 1 235 ? 11.969 30.685 -11.498 1.00 82.08 ? 263 TRP A CD2 1 ATOM 1560 N NE1 . TRP A 1 235 ? 11.174 29.592 -9.697 1.00 100.10 ? 263 TRP A NE1 1 ATOM 1561 C CE2 . TRP A 1 235 ? 11.137 29.625 -11.066 1.00 96.11 ? 263 TRP A CE2 1 ATOM 1562 C CE3 . TRP A 1 235 ? 12.085 30.941 -12.852 1.00 68.45 ? 263 TRP A CE3 1 ATOM 1563 C CZ2 . TRP A 1 235 ? 10.447 28.828 -11.946 1.00 101.89 ? 263 TRP A CZ2 1 ATOM 1564 C CZ3 . TRP A 1 235 ? 11.404 30.147 -13.722 1.00 87.39 ? 263 TRP A CZ3 1 ATOM 1565 C CH2 . TRP A 1 235 ? 10.592 29.102 -13.273 1.00 102.32 ? 263 TRP A CH2 1 ATOM 1566 N N . ALA A 1 236 ? 10.987 33.655 -8.896 1.00 76.24 ? 264 ALA A N 1 ATOM 1567 C CA . ALA A 1 236 ? 9.634 33.535 -8.381 1.00 70.70 ? 264 ALA A CA 1 ATOM 1568 C C . ALA A 1 236 ? 8.786 34.739 -8.768 1.00 73.44 ? 264 ALA A C 1 ATOM 1569 O O . ALA A 1 236 ? 7.587 34.592 -9.028 1.00 70.14 ? 264 ALA A O 1 ATOM 1570 C CB . ALA A 1 236 ? 9.675 33.350 -6.868 1.00 64.61 ? 264 ALA A CB 1 ATOM 1571 N N . SER A 1 237 ? 9.392 35.925 -8.854 1.00 68.30 ? 265 SER A N 1 ATOM 1572 C CA . SER A 1 237 ? 8.622 37.131 -9.143 1.00 67.83 ? 265 SER A CA 1 ATOM 1573 C C . SER A 1 237 ? 8.166 37.162 -10.596 1.00 69.36 ? 265 SER A C 1 ATOM 1574 O O . SER A 1 237 ? 7.007 37.496 -10.884 1.00 63.00 ? 265 SER A O 1 ATOM 1575 C CB . SER A 1 237 ? 9.442 38.374 -8.813 1.00 61.90 ? 265 SER A CB 1 ATOM 1576 O OG . SER A 1 237 ? 8.768 39.553 -9.211 1.00 68.87 ? 265 SER A OG 1 ATOM 1577 N N . CYS A 1 238 ? 9.062 36.821 -11.529 1.00 64.66 ? 266 CYS A N 1 ATOM 1578 C CA . CYS A 1 238 ? 8.637 36.753 -12.924 1.00 66.26 ? 266 CYS A CA 1 ATOM 1579 C C . CYS A 1 238 ? 7.624 35.632 -13.118 1.00 65.65 ? 266 CYS A C 1 ATOM 1580 O O . CYS A 1 238 ? 6.665 35.782 -13.887 1.00 63.45 ? 266 CYS A O 1 ATOM 1581 C CB . CYS A 1 238 ? 9.837 36.572 -13.843 1.00 56.23 ? 266 CYS A CB 1 ATOM 1582 S SG . CYS A 1 238 ? 11.141 37.858 -13.696 1.00 62.63 ? 266 CYS A SG 1 ATOM 1583 N N . GLU A 1 239 ? 7.773 34.537 -12.369 1.00 63.89 ? 267 GLU A N 1 ATOM 1584 C CA . GLU A 1 239 ? 6.789 33.473 -12.466 1.00 72.71 ? 267 GLU A CA 1 ATOM 1585 C C . GLU A 1 239 ? 5.423 33.970 -11.985 1.00 74.61 ? 267 GLU A C 1 ATOM 1586 O O . GLU A 1 239 ? 4.400 33.713 -12.629 1.00 76.99 ? 267 GLU A O 1 ATOM 1587 C CB . GLU A 1 239 ? 7.283 32.252 -11.686 1.00 80.76 ? 267 GLU A CB 1 ATOM 1588 C CG . GLU A 1 239 ? 6.606 30.941 -12.070 1.00 95.87 ? 267 GLU A CG 1 ATOM 1589 C CD . GLU A 1 239 ? 5.270 30.715 -11.399 1.00 110.70 ? 267 GLU A CD 1 ATOM 1590 O OE1 . GLU A 1 239 ? 5.079 31.191 -10.262 1.00 112.37 ? 267 GLU A OE1 1 ATOM 1591 O OE2 . GLU A 1 239 ? 4.400 30.067 -12.023 1.00 122.68 ? 267 GLU A OE2 1 ATOM 1592 N N . GLN A 1 240 ? 5.398 34.751 -10.897 1.00 73.95 ? 268 GLN A N 1 ATOM 1593 C CA . GLN A 1 240 ? 4.138 35.277 -10.368 1.00 75.04 ? 268 GLN A CA 1 ATOM 1594 C C . GLN A 1 240 ? 3.429 36.202 -11.346 1.00 80.44 ? 268 GLN A C 1 ATOM 1595 O O . GLN A 1 240 ? 2.209 36.350 -11.263 1.00 82.54 ? 268 GLN A O 1 ATOM 1596 C CB . GLN A 1 240 ? 4.381 36.023 -9.052 1.00 69.32 ? 268 GLN A CB 1 ATOM 1597 C CG . GLN A 1 240 ? 4.766 35.133 -7.899 1.00 70.17 ? 268 GLN A CG 1 ATOM 1598 C CD . GLN A 1 240 ? 5.452 35.884 -6.778 1.00 70.37 ? 268 GLN A CD 1 ATOM 1599 O OE1 . GLN A 1 240 ? 6.009 36.976 -6.965 1.00 78.22 ? 268 GLN A OE1 1 ATOM 1600 N NE2 . GLN A 1 240 ? 5.480 35.266 -5.621 1.00 74.13 ? 268 GLN A NE2 1 ATOM 1601 N N . GLN A 1 241 ? 4.144 36.835 -12.268 1.00 79.23 ? 269 GLN A N 1 ATOM 1602 C CA . GLN A 1 241 ? 3.468 37.681 -13.240 1.00 82.85 ? 269 GLN A CA 1 ATOM 1603 C C . GLN A 1 241 ? 3.089 36.899 -14.495 1.00 78.71 ? 269 GLN A C 1 ATOM 1604 O O . GLN A 1 241 ? 2.806 37.512 -15.527 1.00 78.58 ? 269 GLN A O 1 ATOM 1605 C CB . GLN A 1 241 ? 4.310 38.899 -13.594 1.00 75.45 ? 269 GLN A CB 1 ATOM 1606 C CG . GLN A 1 241 ? 4.963 39.521 -12.374 1.00 78.36 ? 269 GLN A CG 1 ATOM 1607 C CD . GLN A 1 241 ? 5.730 40.794 -12.658 1.00 70.34 ? 269 GLN A CD 1 ATOM 1608 O OE1 . GLN A 1 241 ? 5.594 41.421 -13.695 1.00 68.25 ? 269 GLN A OE1 1 ATOM 1609 N NE2 . GLN A 1 241 ? 6.701 41.035 -11.833 1.00 75.94 ? 269 GLN A NE2 1 ATOM 1610 N N . GLY A 1 242 ? 3.160 35.567 -14.446 1.00 73.72 ? 270 GLY A N 1 ATOM 1611 C CA . GLY A 1 242 ? 2.894 34.771 -15.625 1.00 76.52 ? 270 GLY A CA 1 ATOM 1612 C C . GLY A 1 242 ? 3.988 34.897 -16.650 1.00 75.96 ? 270 GLY A C 1 ATOM 1613 O O . GLY A 1 242 ? 3.752 34.685 -17.835 1.00 74.22 ? 270 GLY A O 1 ATOM 1614 N N . ALA A 1 243 ? 5.180 35.254 -16.214 1.00 63.06 ? 271 ALA A N 1 ATOM 1615 C CA . ALA A 1 243 ? 6.302 35.600 -17.060 1.00 58.91 ? 271 ALA A CA 1 ATOM 1616 C C . ALA A 1 243 ? 7.459 34.699 -16.683 1.00 63.38 ? 271 ALA A C 1 ATOM 1617 O O . ALA A 1 243 ? 7.277 33.684 -15.995 1.00 65.28 ? 271 ALA A O 1 ATOM 1618 C CB . ALA A 1 243 ? 6.680 37.081 -16.920 1.00 59.08 ? 271 ALA A CB 1 ATOM 1619 N N . ASP A 1 244 ? 8.642 35.040 -17.192 1.00 59.42 ? 272 ASP A N 1 ATOM 1620 C CA . ASP A 1 244 ? 9.834 34.311 -16.803 1.00 70.52 ? 272 ASP A CA 1 ATOM 1621 C C . ASP A 1 244 ? 11.018 35.266 -16.910 1.00 63.39 ? 272 ASP A C 1 ATOM 1622 O O . ASP A 1 244 ? 10.933 36.307 -17.569 1.00 61.61 ? 272 ASP A O 1 ATOM 1623 C CB . ASP A 1 244 ? 9.965 33.034 -17.663 1.00 79.41 ? 272 ASP A CB 1 ATOM 1624 C CG . ASP A 1 244 ? 10.880 31.980 -17.033 1.00 85.21 ? 272 ASP A CG 1 ATOM 1625 O OD1 . ASP A 1 244 ? 11.697 32.329 -16.128 1.00 89.78 ? 272 ASP A OD1 1 ATOM 1626 O OD2 . ASP A 1 244 ? 10.675 30.774 -17.366 1.00 68.90 ? 272 ASP A OD2 1 ATOM 1627 N N . LEU A 1 245 ? 12.106 34.929 -16.210 1.00 54.48 ? 273 LEU A N 1 ATOM 1628 C CA . LEU A 1 245 ? 13.319 35.739 -16.248 1.00 57.71 ? 273 LEU A CA 1 ATOM 1629 C C . LEU A 1 245 ? 13.842 35.881 -17.676 1.00 49.60 ? 273 LEU A C 1 ATOM 1630 O O . LEU A 1 245 ? 13.679 34.994 -18.508 1.00 63.63 ? 273 LEU A O 1 ATOM 1631 C CB . LEU A 1 245 ? 14.419 35.136 -15.355 1.00 50.24 ? 273 LEU A CB 1 ATOM 1632 C CG . LEU A 1 245 ? 14.455 35.359 -13.847 1.00 59.37 ? 273 LEU A CG 1 ATOM 1633 C CD1 . LEU A 1 245 ? 15.556 34.549 -13.168 1.00 51.20 ? 273 LEU A CD1 1 ATOM 1634 C CD2 . LEU A 1 245 ? 14.704 36.819 -13.641 1.00 51.87 ? 273 LEU A CD2 1 ATOM 1635 N N . LEU A 1 246 ? 14.513 37.008 -17.930 1.00 55.40 ? 274 LEU A N 1 ATOM 1636 C CA . LEU A 1 246 ? 15.010 37.368 -19.252 1.00 53.19 ? 274 LEU A CA 1 ATOM 1637 C C . LEU A 1 246 ? 15.879 36.280 -19.858 1.00 53.76 ? 274 LEU A C 1 ATOM 1638 O O . LEU A 1 246 ? 16.889 35.880 -19.268 1.00 59.59 ? 274 LEU A O 1 ATOM 1639 C CB . LEU A 1 246 ? 15.848 38.634 -19.155 1.00 61.17 ? 274 LEU A CB 1 ATOM 1640 C CG . LEU A 1 246 ? 16.454 39.068 -20.490 1.00 49.78 ? 274 LEU A CG 1 ATOM 1641 C CD1 . LEU A 1 246 ? 15.341 39.557 -21.370 1.00 50.89 ? 274 LEU A CD1 1 ATOM 1642 C CD2 . LEU A 1 246 ? 17.501 40.143 -20.311 1.00 52.34 ? 274 LEU A CD2 1 ATOM 1643 N N . SER A 1 247 ? 15.516 35.846 -21.065 1.00 59.76 ? 275 SER A N 1 ATOM 1644 C CA . SER A 1 247 ? 16.405 35.084 -21.935 1.00 56.30 ? 275 SER A CA 1 ATOM 1645 C C . SER A 1 247 ? 16.742 35.904 -23.175 1.00 55.25 ? 275 SER A C 1 ATOM 1646 O O . SER A 1 247 ? 15.867 36.537 -23.774 1.00 58.57 ? 275 SER A O 1 ATOM 1647 C CB . SER A 1 247 ? 15.787 33.744 -22.335 1.00 48.86 ? 275 SER A CB 1 ATOM 1648 O OG . SER A 1 247 ? 14.590 33.903 -23.069 1.00 50.25 ? 275 SER A OG 1 ATOM 1649 N N . ILE A 1 248 ? 18.012 35.906 -23.541 1.00 57.52 ? 276 ILE A N 1 ATOM 1650 C CA . ILE A 1 248 ? 18.504 36.628 -24.704 1.00 50.80 ? 276 ILE A CA 1 ATOM 1651 C C . ILE A 1 248 ? 18.843 35.549 -25.720 1.00 57.15 ? 276 ILE A C 1 ATOM 1652 O O . ILE A 1 248 ? 19.835 34.830 -25.584 1.00 68.88 ? 276 ILE A O 1 ATOM 1653 C CB . ILE A 1 248 ? 19.718 37.486 -24.336 1.00 52.03 ? 276 ILE A CB 1 ATOM 1654 C CG1 . ILE A 1 248 ? 19.322 38.379 -23.162 1.00 49.87 ? 276 ILE A CG1 1 ATOM 1655 C CG2 . ILE A 1 248 ? 20.172 38.367 -25.487 1.00 55.94 ? 276 ILE A CG2 1 ATOM 1656 C CD1 . ILE A 1 248 ? 20.425 39.098 -22.553 1.00 49.10 ? 276 ILE A CD1 1 ATOM 1657 N N . THR A 1 249 ? 17.998 35.393 -26.723 1.00 69.03 ? 277 THR A N 1 ATOM 1658 C CA . THR A 1 249 ? 18.150 34.308 -27.676 1.00 72.11 ? 277 THR A CA 1 ATOM 1659 C C . THR A 1 249 ? 18.784 34.725 -28.990 1.00 66.89 ? 277 THR A C 1 ATOM 1660 O O . THR A 1 249 ? 18.826 33.916 -29.904 1.00 67.07 ? 277 THR A O 1 ATOM 1661 C CB . THR A 1 249 ? 16.811 33.684 -27.968 1.00 70.88 ? 277 THR A CB 1 ATOM 1662 O OG1 . THR A 1 249 ? 16.020 34.663 -28.651 1.00 70.46 ? 277 THR A OG1 1 ATOM 1663 C CG2 . THR A 1 249 ? 16.137 33.296 -26.641 1.00 73.97 ? 277 THR A CG2 1 ATOM 1664 N N . GLU A 1 250 ? 19.229 35.964 -29.135 1.00 67.31 ? 278 GLU A N 1 ATOM 1665 C CA . GLU A 1 250 ? 19.694 36.395 -30.441 1.00 73.15 ? 278 GLU A CA 1 ATOM 1666 C C . GLU A 1 250 ? 20.253 37.799 -30.324 1.00 75.19 ? 278 GLU A C 1 ATOM 1667 O O . GLU A 1 250 ? 19.962 38.524 -29.365 1.00 83.22 ? 278 GLU A O 1 ATOM 1668 C CB . GLU A 1 250 ? 18.587 36.404 -31.487 1.00 81.63 ? 278 GLU A CB 1 ATOM 1669 C CG . GLU A 1 250 ? 17.431 37.306 -31.144 1.00 95.96 ? 278 GLU A CG 1 ATOM 1670 C CD . GLU A 1 250 ? 16.466 37.443 -32.299 1.00 116.50 ? 278 GLU A CD 1 ATOM 1671 O OE1 . GLU A 1 250 ? 16.905 37.261 -33.454 1.00 124.71 ? 278 GLU A OE1 1 ATOM 1672 O OE2 . GLU A 1 250 ? 15.272 37.715 -32.061 1.00 124.99 ? 278 GLU A OE2 1 ATOM 1673 N N . ILE A 1 251 ? 21.017 38.195 -31.345 1.00 67.51 ? 279 ILE A N 1 ATOM 1674 C CA . ILE A 1 251 ? 21.708 39.472 -31.249 1.00 76.82 ? 279 ILE A CA 1 ATOM 1675 C C . ILE A 1 251 ? 20.713 40.630 -31.266 1.00 80.48 ? 279 ILE A C 1 ATOM 1676 O O . ILE A 1 251 ? 20.930 41.645 -30.597 1.00 91.04 ? 279 ILE A O 1 ATOM 1677 C CB . ILE A 1 251 ? 22.785 39.617 -32.348 1.00 76.49 ? 279 ILE A CB 1 ATOM 1678 C CG1 . ILE A 1 251 ? 23.678 40.828 -32.043 1.00 86.37 ? 279 ILE A CG1 1 ATOM 1679 C CG2 . ILE A 1 251 ? 22.155 39.773 -33.736 1.00 65.36 ? 279 ILE A CG2 1 ATOM 1680 C CD1 . ILE A 1 251 ? 24.946 40.884 -32.873 1.00 95.52 ? 279 ILE A CD1 1 ATOM 1681 N N . HIS A 1 252 ? 19.614 40.511 -32.019 1.00 86.57 ? 280 HIS A N 1 ATOM 1682 C CA . HIS A 1 252 ? 18.611 41.575 -31.990 1.00 98.17 ? 280 HIS A CA 1 ATOM 1683 C C . HIS A 1 252 ? 18.124 41.813 -30.575 1.00 92.21 ? 280 HIS A C 1 ATOM 1684 O O . HIS A 1 252 ? 18.169 42.941 -30.068 1.00 95.03 ? 280 HIS A O 1 ATOM 1685 C CB . HIS A 1 252 ? 17.405 41.260 -32.877 1.00 113.07 ? 280 HIS A CB 1 ATOM 1686 C CG . HIS A 1 252 ? 16.299 42.267 -32.732 1.00 132.86 ? 280 HIS A CG 1 ATOM 1687 N ND1 . HIS A 1 252 ? 16.426 43.580 -33.138 1.00 143.75 ? 280 HIS A ND1 1 ATOM 1688 C CD2 . HIS A 1 252 ? 15.077 42.174 -32.151 1.00 134.23 ? 280 HIS A CD2 1 ATOM 1689 C CE1 . HIS A 1 252 ? 15.317 44.239 -32.852 1.00 141.89 ? 280 HIS A CE1 1 ATOM 1690 N NE2 . HIS A 1 252 ? 14.481 43.409 -32.254 1.00 136.44 ? 280 HIS A NE2 1 ATOM 1691 N N . GLU A 1 253 ? 17.650 40.748 -29.927 1.00 75.30 ? 281 GLU A N 1 ATOM 1692 C CA . GLU A 1 253 ? 17.157 40.858 -28.566 1.00 60.67 ? 281 GLU A CA 1 ATOM 1693 C C . GLU A 1 253 ? 18.189 41.541 -27.682 1.00 63.65 ? 281 GLU A C 1 ATOM 1694 O O . GLU A 1 253 ? 17.882 42.527 -27.001 1.00 71.24 ? 281 GLU A O 1 ATOM 1695 C CB . GLU A 1 253 ? 16.798 39.468 -28.056 1.00 62.91 ? 281 GLU A CB 1 ATOM 1696 C CG . GLU A 1 253 ? 15.916 39.493 -26.854 1.00 70.53 ? 281 GLU A CG 1 ATOM 1697 C CD . GLU A 1 253 ? 15.341 38.127 -26.533 1.00 77.56 ? 281 GLU A CD 1 ATOM 1698 O OE1 . GLU A 1 253 ? 15.773 37.124 -27.176 1.00 76.29 ? 281 GLU A OE1 1 ATOM 1699 O OE2 . GLU A 1 253 ? 14.415 38.082 -25.674 1.00 69.23 ? 281 GLU A OE2 1 ATOM 1700 N N . GLN A 1 254 ? 19.443 41.075 -27.747 1.00 59.79 ? 282 GLN A N 1 ATOM 1701 C CA . GLN A 1 254 ? 20.531 41.712 -27.007 1.00 63.14 ? 282 GLN A CA 1 ATOM 1702 C C . GLN A 1 254 ? 20.604 43.215 -27.262 1.00 75.54 ? 282 GLN A C 1 ATOM 1703 O O . GLN A 1 254 ? 20.695 44.007 -26.321 1.00 84.28 ? 282 GLN A O 1 ATOM 1704 C CB . GLN A 1 254 ? 21.870 41.065 -27.357 1.00 60.45 ? 282 GLN A CB 1 ATOM 1705 C CG . GLN A 1 254 ? 23.049 41.701 -26.604 1.00 60.44 ? 282 GLN A CG 1 ATOM 1706 C CD . GLN A 1 254 ? 22.985 41.463 -25.099 1.00 60.42 ? 282 GLN A CD 1 ATOM 1707 O OE1 . GLN A 1 254 ? 22.958 40.324 -24.654 1.00 60.89 ? 282 GLN A OE1 1 ATOM 1708 N NE2 . GLN A 1 254 ? 22.971 42.539 -24.315 1.00 65.36 ? 282 GLN A NE2 1 ATOM 1709 N N . THR A 1 255 ? 20.582 43.633 -28.528 1.00 75.82 ? 283 THR A N 1 ATOM 1710 C CA . THR A 1 255 ? 20.738 45.058 -28.800 1.00 85.97 ? 283 THR A CA 1 ATOM 1711 C C . THR A 1 255 ? 19.519 45.860 -28.359 1.00 88.81 ? 283 THR A C 1 ATOM 1712 O O . THR A 1 255 ? 19.666 47.003 -27.920 1.00 94.73 ? 283 THR A O 1 ATOM 1713 C CB . THR A 1 255 ? 21.007 45.295 -30.279 1.00 97.14 ? 283 THR A CB 1 ATOM 1714 O OG1 . THR A 1 255 ? 19.904 44.790 -31.037 1.00 109.14 ? 283 THR A OG1 1 ATOM 1715 C CG2 . THR A 1 255 ? 22.300 44.592 -30.710 1.00 95.31 ? 283 THR A CG2 1 ATOM 1716 N N . TYR A 1 256 ? 18.313 45.300 -28.478 1.00 86.13 ? 284 TYR A N 1 ATOM 1717 C CA . TYR A 1 256 ? 17.143 45.951 -27.893 1.00 81.99 ? 284 TYR A CA 1 ATOM 1718 C C . TYR A 1 256 ? 17.335 46.163 -26.389 1.00 77.35 ? 284 TYR A C 1 ATOM 1719 O O . TYR A 1 256 ? 17.081 47.257 -25.864 1.00 74.29 ? 284 TYR A O 1 ATOM 1720 C CB . TYR A 1 256 ? 15.875 45.126 -28.167 1.00 70.89 ? 284 TYR A CB 1 ATOM 1721 C CG . TYR A 1 256 ? 14.644 45.742 -27.550 1.00 68.11 ? 284 TYR A CG 1 ATOM 1722 C CD1 . TYR A 1 256 ? 14.050 46.851 -28.122 1.00 82.14 ? 284 TYR A CD1 1 ATOM 1723 C CD2 . TYR A 1 256 ? 14.094 45.239 -26.377 1.00 81.63 ? 284 TYR A CD2 1 ATOM 1724 C CE1 . TYR A 1 256 ? 12.932 47.447 -27.551 1.00 97.05 ? 284 TYR A CE1 1 ATOM 1725 C CE2 . TYR A 1 256 ? 12.970 45.817 -25.803 1.00 91.73 ? 284 TYR A CE2 1 ATOM 1726 C CZ . TYR A 1 256 ? 12.396 46.931 -26.393 1.00 102.86 ? 284 TYR A CZ 1 ATOM 1727 O OH . TYR A 1 256 ? 11.281 47.531 -25.845 1.00 109.11 ? 284 TYR A OH 1 ATOM 1728 N N . ILE A 1 257 ? 17.795 45.121 -25.687 1.00 66.71 ? 285 ILE A N 1 ATOM 1729 C CA . ILE A 1 257 ? 18.070 45.229 -24.255 1.00 79.54 ? 285 ILE A CA 1 ATOM 1730 C C . ILE A 1 257 ? 19.056 46.367 -23.977 1.00 94.14 ? 285 ILE A C 1 ATOM 1731 O O . ILE A 1 257 ? 18.790 47.263 -23.157 1.00 92.16 ? 285 ILE A O 1 ATOM 1732 C CB . ILE A 1 257 ? 18.591 43.883 -23.710 1.00 71.13 ? 285 ILE A CB 1 ATOM 1733 C CG1 . ILE A 1 257 ? 17.564 42.769 -23.924 1.00 67.08 ? 285 ILE A CG1 1 ATOM 1734 C CG2 . ILE A 1 257 ? 18.913 43.999 -22.231 1.00 56.54 ? 285 ILE A CG2 1 ATOM 1735 C CD1 . ILE A 1 257 ? 16.250 43.081 -23.306 1.00 63.47 ? 285 ILE A CD1 1 ATOM 1736 N N . ASN A 1 258 ? 20.215 46.339 -24.649 1.00 89.94 ? 286 ASN A N 1 ATOM 1737 C CA . ASN A 1 258 ? 21.161 47.444 -24.548 1.00 83.47 ? 286 ASN A CA 1 ATOM 1738 C C . ASN A 1 258 ? 20.450 48.773 -24.753 1.00 78.31 ? 286 ASN A C 1 ATOM 1739 O O . ASN A 1 258 ? 20.741 49.760 -24.064 1.00 82.34 ? 286 ASN A O 1 ATOM 1740 C CB . ASN A 1 258 ? 22.270 47.299 -25.593 1.00 84.42 ? 286 ASN A CB 1 ATOM 1741 C CG . ASN A 1 258 ? 23.152 46.089 -25.364 1.00 87.89 ? 286 ASN A CG 1 ATOM 1742 O OD1 . ASN A 1 258 ? 24.024 46.094 -24.495 1.00 89.75 ? 286 ASN A OD1 1 ATOM 1743 N ND2 . ASN A 1 258 ? 22.945 45.045 -26.171 1.00 88.14 ? 286 ASN A ND2 1 ATOM 1744 N N . GLY A 1 259 ? 19.500 48.807 -25.696 1.00 66.36 ? 287 GLY A N 1 ATOM 1745 C CA . GLY A 1 259 ? 18.863 50.061 -26.041 1.00 70.95 ? 287 GLY A CA 1 ATOM 1746 C C . GLY A 1 259 ? 18.020 50.585 -24.905 1.00 83.51 ? 287 GLY A C 1 ATOM 1747 O O . GLY A 1 259 ? 17.993 51.794 -24.645 1.00 93.31 ? 287 GLY A O 1 ATOM 1748 N N . LEU A 1 260 ? 17.391 49.676 -24.156 1.00 85.99 ? 288 LEU A N 1 ATOM 1749 C CA . LEU A 1 260 ? 16.599 50.092 -23.012 1.00 79.95 ? 288 LEU A CA 1 ATOM 1750 C C . LEU A 1 260 ? 17.474 50.405 -21.807 1.00 85.20 ? 288 LEU A C 1 ATOM 1751 O O . LEU A 1 260 ? 17.050 51.160 -20.926 1.00 93.67 ? 288 LEU A O 1 ATOM 1752 C CB . LEU A 1 260 ? 15.567 49.024 -22.642 1.00 77.26 ? 288 LEU A CB 1 ATOM 1753 C CG . LEU A 1 260 ? 14.421 48.702 -23.611 1.00 83.86 ? 288 LEU A CG 1 ATOM 1754 C CD1 . LEU A 1 260 ? 13.557 47.597 -23.005 1.00 86.66 ? 288 LEU A CD1 1 ATOM 1755 C CD2 . LEU A 1 260 ? 13.568 49.928 -23.946 1.00 82.64 ? 288 LEU A CD2 1 ATOM 1756 N N . LEU A 1 261 ? 18.684 49.858 -21.753 1.00 80.35 ? 289 LEU A N 1 ATOM 1757 C CA . LEU A 1 261 ? 19.590 50.119 -20.641 1.00 79.26 ? 289 LEU A CA 1 ATOM 1758 C C . LEU A 1 261 ? 20.427 51.381 -20.808 1.00 91.07 ? 289 LEU A C 1 ATOM 1759 O O . LEU A 1 261 ? 21.213 51.692 -19.906 1.00 89.86 ? 289 LEU A O 1 ATOM 1760 C CB . LEU A 1 261 ? 20.538 48.935 -20.434 1.00 80.38 ? 289 LEU A CB 1 ATOM 1761 C CG . LEU A 1 261 ? 20.020 47.622 -19.853 1.00 75.22 ? 289 LEU A CG 1 ATOM 1762 C CD1 . LEU A 1 261 ? 21.096 46.542 -19.944 1.00 66.39 ? 289 LEU A CD1 1 ATOM 1763 C CD2 . LEU A 1 261 ? 19.645 47.859 -18.413 1.00 71.89 ? 289 LEU A CD2 1 ATOM 1764 N N . THR A 1 262 ? 20.315 52.095 -21.930 1.00 101.58 ? 290 THR A N 1 ATOM 1765 C CA . THR A 1 262 ? 21.141 53.283 -22.125 1.00 107.19 ? 290 THR A CA 1 ATOM 1766 C C . THR A 1 262 ? 20.806 54.332 -21.081 1.00 106.41 ? 290 THR A C 1 ATOM 1767 O O . THR A 1 262 ? 19.649 54.744 -20.945 1.00 106.81 ? 290 THR A O 1 ATOM 1768 C CB . THR A 1 262 ? 20.946 53.864 -23.522 1.00 110.02 ? 290 THR A CB 1 ATOM 1769 O OG1 . THR A 1 262 ? 19.554 54.123 -23.732 1.00 112.44 ? 290 THR A OG1 1 ATOM 1770 C CG2 . THR A 1 262 ? 21.476 52.919 -24.588 1.00 108.91 ? 290 THR A CG2 1 ATOM 1771 N N . GLY A 1 263 ? 21.829 54.774 -20.358 1.00 107.25 ? 291 GLY A N 1 ATOM 1772 C CA . GLY A 1 263 ? 21.700 55.803 -19.346 1.00 102.68 ? 291 GLY A CA 1 ATOM 1773 C C . GLY A 1 263 ? 21.807 55.316 -17.914 1.00 100.59 ? 291 GLY A C 1 ATOM 1774 O O . GLY A 1 263 ? 21.959 56.152 -17.017 1.00 115.47 ? 291 GLY A O 1 ATOM 1775 N N . TYR A 1 264 ? 21.824 54.006 -17.671 1.00 82.94 ? 292 TYR A N 1 ATOM 1776 C CA . TYR A 1 264 ? 21.842 53.425 -16.334 1.00 75.64 ? 292 TYR A CA 1 ATOM 1777 C C . TYR A 1 264 ? 23.170 52.737 -16.047 1.00 85.42 ? 292 TYR A C 1 ATOM 1778 O O . TYR A 1 264 ? 23.911 52.338 -16.957 1.00 82.13 ? 292 TYR A O 1 ATOM 1779 C CB . TYR A 1 264 ? 20.738 52.387 -16.143 1.00 71.28 ? 292 TYR A CB 1 ATOM 1780 C CG . TYR A 1 264 ? 19.352 52.910 -15.893 1.00 81.05 ? 292 TYR A CG 1 ATOM 1781 C CD1 . TYR A 1 264 ? 18.933 53.180 -14.598 1.00 91.74 ? 292 TYR A CD1 1 ATOM 1782 C CD2 . TYR A 1 264 ? 18.444 53.087 -16.929 1.00 82.84 ? 292 TYR A CD2 1 ATOM 1783 C CE1 . TYR A 1 264 ? 17.659 53.638 -14.330 1.00 91.94 ? 292 TYR A CE1 1 ATOM 1784 C CE2 . TYR A 1 264 ? 17.155 53.545 -16.673 1.00 85.71 ? 292 TYR A CE2 1 ATOM 1785 C CZ . TYR A 1 264 ? 16.778 53.821 -15.366 1.00 92.39 ? 292 TYR A CZ 1 ATOM 1786 O OH . TYR A 1 264 ? 15.518 54.286 -15.067 1.00 107.45 ? 292 TYR A OH 1 ATOM 1787 N N . SER A 1 265 ? 23.470 52.606 -14.754 1.00 85.70 ? 293 SER A N 1 ATOM 1788 C CA . SER A 1 265 ? 24.528 51.710 -14.304 1.00 86.88 ? 293 SER A CA 1 ATOM 1789 C C . SER A 1 265 ? 23.923 50.721 -13.329 1.00 90.64 ? 293 SER A C 1 ATOM 1790 O O . SER A 1 265 ? 23.374 51.122 -12.297 1.00 94.05 ? 293 SER A O 1 ATOM 1791 C CB . SER A 1 265 ? 25.682 52.452 -13.648 1.00 82.97 ? 293 SER A CB 1 ATOM 1792 O OG . SER A 1 265 ? 26.671 51.511 -13.263 1.00 90.16 ? 293 SER A OG 1 ATOM 1793 N N . SER A 1 266 ? 24.069 49.433 -13.626 1.00 84.23 ? 294 SER A N 1 ATOM 1794 C CA . SER A 1 266 ? 23.221 48.438 -12.991 1.00 70.31 ? 294 SER A CA 1 ATOM 1795 C C . SER A 1 266 ? 23.684 47.055 -13.399 1.00 57.09 ? 294 SER A C 1 ATOM 1796 O O . SER A 1 266 ? 24.256 46.870 -14.466 1.00 68.66 ? 294 SER A O 1 ATOM 1797 C CB . SER A 1 266 ? 21.753 48.642 -13.401 1.00 58.12 ? 294 SER A CB 1 ATOM 1798 O OG . SER A 1 266 ? 20.893 47.664 -12.844 1.00 62.19 ? 294 SER A OG 1 ATOM 1799 N N . THR A 1 267 ? 23.356 46.074 -12.563 1.00 71.94 ? 295 THR A N 1 ATOM 1800 C CA . THR A 1 267 ? 23.666 44.674 -12.817 1.00 62.05 ? 295 THR A CA 1 ATOM 1801 C C . THR A 1 267 ? 22.427 43.882 -12.450 1.00 70.35 ? 295 THR A C 1 ATOM 1802 O O . THR A 1 267 ? 22.004 43.905 -11.292 1.00 79.23 ? 295 THR A O 1 ATOM 1803 C CB . THR A 1 267 ? 24.867 44.218 -11.989 1.00 58.98 ? 295 THR A CB 1 ATOM 1804 O OG1 . THR A 1 267 ? 26.006 45.011 -12.329 1.00 63.42 ? 295 THR A OG1 1 ATOM 1805 C CG2 . THR A 1 267 ? 25.190 42.811 -12.298 1.00 75.03 ? 295 THR A CG2 1 ATOM 1806 N N . LEU A 1 268 ? 21.837 43.182 -13.406 1.00 68.21 ? 296 LEU A N 1 ATOM 1807 C CA . LEU A 1 268 ? 20.522 42.619 -13.153 1.00 58.31 ? 296 LEU A CA 1 ATOM 1808 C C . LEU A 1 268 ? 20.546 41.124 -13.398 1.00 67.47 ? 296 LEU A C 1 ATOM 1809 O O . LEU A 1 268 ? 21.329 40.621 -14.213 1.00 75.41 ? 296 LEU A O 1 ATOM 1810 C CB . LEU A 1 268 ? 19.466 43.220 -14.055 1.00 55.81 ? 296 LEU A CB 1 ATOM 1811 C CG . LEU A 1 268 ? 19.284 44.730 -13.989 1.00 68.71 ? 296 LEU A CG 1 ATOM 1812 C CD1 . LEU A 1 268 ? 20.360 45.400 -14.877 1.00 50.83 ? 296 LEU A CD1 1 ATOM 1813 C CD2 . LEU A 1 268 ? 17.872 45.146 -14.370 1.00 77.53 ? 296 LEU A CD2 1 ATOM 1814 N N . TRP A 1 269 ? 19.642 40.423 -12.725 1.00 66.88 ? 297 TRP A N 1 ATOM 1815 C CA . TRP A 1 269 ? 19.503 39.004 -12.977 1.00 55.16 ? 297 TRP A CA 1 ATOM 1816 C C . TRP A 1 269 ? 18.894 38.751 -14.345 1.00 56.47 ? 297 TRP A C 1 ATOM 1817 O O . TRP A 1 269 ? 17.989 39.459 -14.786 1.00 56.60 ? 297 TRP A O 1 ATOM 1818 C CB . TRP A 1 269 ? 18.621 38.343 -11.937 1.00 60.08 ? 297 TRP A CB 1 ATOM 1819 C CG . TRP A 1 269 ? 19.182 38.263 -10.588 1.00 74.73 ? 297 TRP A CG 1 ATOM 1820 C CD1 . TRP A 1 269 ? 18.687 38.829 -9.461 1.00 75.01 ? 297 TRP A CD1 1 ATOM 1821 C CD2 . TRP A 1 269 ? 20.402 37.623 -10.219 1.00 77.52 ? 297 TRP A CD2 1 ATOM 1822 N NE1 . TRP A 1 269 ? 19.482 38.517 -8.393 1.00 68.39 ? 297 TRP A NE1 1 ATOM 1823 C CE2 . TRP A 1 269 ? 20.548 37.783 -8.833 1.00 67.35 ? 297 TRP A CE2 1 ATOM 1824 C CE3 . TRP A 1 269 ? 21.372 36.906 -10.925 1.00 76.44 ? 297 TRP A CE3 1 ATOM 1825 C CZ2 . TRP A 1 269 ? 21.621 37.263 -8.135 1.00 67.60 ? 297 TRP A CZ2 1 ATOM 1826 C CZ3 . TRP A 1 269 ? 22.435 36.391 -10.235 1.00 78.87 ? 297 TRP A CZ3 1 ATOM 1827 C CH2 . TRP A 1 269 ? 22.555 36.573 -8.847 1.00 77.24 ? 297 TRP A CH2 1 ATOM 1828 N N . ILE A 1 270 ? 19.379 37.712 -15.003 1.00 47.41 ? 298 ILE A N 1 ATOM 1829 C CA . ILE A 1 270 ? 18.756 37.188 -16.196 1.00 46.34 ? 298 ILE A CA 1 ATOM 1830 C C . ILE A 1 270 ? 18.491 35.702 -15.962 1.00 60.40 ? 298 ILE A C 1 ATOM 1831 O O . ILE A 1 270 ? 18.897 35.130 -14.951 1.00 57.43 ? 298 ILE A O 1 ATOM 1832 C CB . ILE A 1 270 ? 19.630 37.432 -17.440 1.00 56.88 ? 298 ILE A CB 1 ATOM 1833 C CG1 . ILE A 1 270 ? 21.015 36.809 -17.251 1.00 52.13 ? 298 ILE A CG1 1 ATOM 1834 C CG2 . ILE A 1 270 ? 19.748 38.921 -17.701 1.00 45.56 ? 298 ILE A CG2 1 ATOM 1835 C CD1 . ILE A 1 270 ? 21.901 36.828 -18.506 1.00 46.62 ? 298 ILE A CD1 1 ATOM 1836 N N . GLY A 1 271 ? 17.816 35.066 -16.921 1.00 51.96 ? 299 GLY A N 1 ATOM 1837 C CA . GLY A 1 271 ? 17.427 33.682 -16.697 1.00 51.62 ? 299 GLY A CA 1 ATOM 1838 C C . GLY A 1 271 ? 18.560 32.677 -16.827 1.00 55.82 ? 299 GLY A C 1 ATOM 1839 O O . GLY A 1 271 ? 18.360 31.493 -16.537 1.00 67.60 ? 299 GLY A O 1 ATOM 1840 N N . LEU A 1 272 ? 19.739 33.123 -17.232 1.00 51.92 ? 300 LEU A N 1 ATOM 1841 C CA . LEU A 1 272 ? 20.856 32.231 -17.483 1.00 50.71 ? 300 LEU A CA 1 ATOM 1842 C C . LEU A 1 272 ? 21.369 31.653 -16.169 1.00 58.86 ? 300 LEU A C 1 ATOM 1843 O O . LEU A 1 272 ? 21.738 32.401 -15.255 1.00 61.64 ? 300 LEU A O 1 ATOM 1844 C CB . LEU A 1 272 ? 21.953 33.007 -18.203 1.00 50.99 ? 300 LEU A CB 1 ATOM 1845 C CG . LEU A 1 272 ? 23.163 32.170 -18.598 1.00 68.16 ? 300 LEU A CG 1 ATOM 1846 C CD1 . LEU A 1 272 ? 22.692 30.962 -19.429 1.00 65.50 ? 300 LEU A CD1 1 ATOM 1847 C CD2 . LEU A 1 272 ? 24.132 33.009 -19.413 1.00 55.64 ? 300 LEU A CD2 1 ATOM 1848 N N . ASN A 1 273 ? 21.404 30.327 -16.058 1.00 55.06 ? 301 ASN A N 1 ATOM 1849 C CA . ASN A 1 273 ? 21.868 29.790 -14.796 1.00 65.91 ? 301 ASN A CA 1 ATOM 1850 C C . ASN A 1 273 ? 22.499 28.419 -14.971 1.00 70.09 ? 301 ASN A C 1 ATOM 1851 O O . ASN A 1 273 ? 22.167 27.653 -15.880 1.00 63.61 ? 301 ASN A O 1 ATOM 1852 C CB . ASN A 1 273 ? 20.722 29.758 -13.790 1.00 70.23 ? 301 ASN A CB 1 ATOM 1853 C CG . ASN A 1 273 ? 19.688 28.751 -14.134 1.00 74.16 ? 301 ASN A CG 1 ATOM 1854 O OD1 . ASN A 1 273 ? 19.955 27.555 -14.192 1.00 79.01 ? 301 ASN A OD1 1 ATOM 1855 N ND2 . ASN A 1 273 ? 18.509 29.231 -14.481 1.00 85.25 ? 301 ASN A ND2 1 ATOM 1856 N N . ASP A 1 274 ? 23.383 28.122 -14.030 1.00 79.87 ? 302 ASP A N 1 ATOM 1857 C CA . ASP A 1 274 ? 24.225 26.939 -13.958 1.00 97.52 ? 302 ASP A CA 1 ATOM 1858 C C . ASP A 1 274 ? 23.625 25.844 -13.062 1.00 100.00 ? 302 ASP A C 1 ATOM 1859 O O . ASP A 1 274 ? 24.207 24.763 -12.946 1.00 105.57 ? 302 ASP A O 1 ATOM 1860 C CB . ASP A 1 274 ? 25.603 27.407 -13.433 1.00 112.58 ? 302 ASP A CB 1 ATOM 1861 C CG . ASP A 1 274 ? 26.706 26.381 -13.571 1.00 123.62 ? 302 ASP A CG 1 ATOM 1862 O OD1 . ASP A 1 274 ? 26.466 25.314 -14.160 1.00 128.79 ? 302 ASP A OD1 1 ATOM 1863 O OD2 . ASP A 1 274 ? 27.832 26.671 -13.090 1.00 125.78 ? 302 ASP A OD2 1 ATOM 1864 N N . LEU A 1 275 ? 22.457 26.085 -12.452 1.00 96.66 ? 303 LEU A N 1 ATOM 1865 C CA . LEU A 1 275 ? 22.057 25.337 -11.257 1.00 101.11 ? 303 LEU A CA 1 ATOM 1866 C C . LEU A 1 275 ? 21.680 23.894 -11.566 1.00 118.38 ? 303 LEU A C 1 ATOM 1867 O O . LEU A 1 275 ? 22.170 22.967 -10.909 1.00 126.25 ? 303 LEU A O 1 ATOM 1868 C CB . LEU A 1 275 ? 20.885 26.033 -10.561 1.00 94.20 ? 303 LEU A CB 1 ATOM 1869 C CG . LEU A 1 275 ? 21.090 27.391 -9.875 1.00 86.88 ? 303 LEU A CG 1 ATOM 1870 C CD1 . LEU A 1 275 ? 19.745 27.936 -9.398 1.00 80.59 ? 303 LEU A CD1 1 ATOM 1871 C CD2 . LEU A 1 275 ? 22.103 27.312 -8.717 1.00 80.75 ? 303 LEU A CD2 1 ATOM 1872 N N . ASP A 1 276 ? 20.796 23.692 -12.553 1.00 128.90 ? 304 ASP A N 1 ATOM 1873 C CA . ASP A 1 276 ? 20.075 22.426 -12.706 1.00 133.89 ? 304 ASP A CA 1 ATOM 1874 C C . ASP A 1 276 ? 21.032 21.238 -12.803 1.00 134.66 ? 304 ASP A C 1 ATOM 1875 O O . ASP A 1 276 ? 20.756 20.161 -12.262 1.00 136.10 ? 304 ASP A O 1 ATOM 1876 C CB . ASP A 1 276 ? 19.164 22.516 -13.935 1.00 137.68 ? 304 ASP A CB 1 ATOM 1877 C CG . ASP A 1 276 ? 18.129 21.407 -13.997 1.00 142.86 ? 304 ASP A CG 1 ATOM 1878 O OD1 . ASP A 1 276 ? 18.121 20.535 -13.110 1.00 150.96 ? 304 ASP A OD1 1 ATOM 1879 O OD2 . ASP A 1 276 ? 17.300 21.424 -14.932 1.00 140.99 ? 304 ASP A OD2 1 ATOM 1880 N N . THR A 1 277 ? 22.159 21.411 -13.488 1.00 130.96 ? 305 THR A N 1 ATOM 1881 C CA . THR A 1 277 ? 23.272 20.475 -13.414 1.00 127.38 ? 305 THR A CA 1 ATOM 1882 C C . THR A 1 277 ? 24.550 21.272 -13.661 1.00 120.77 ? 305 THR A C 1 ATOM 1883 O O . THR A 1 277 ? 24.559 22.179 -14.496 1.00 122.47 ? 305 THR A O 1 ATOM 1884 C CB . THR A 1 277 ? 23.082 19.311 -14.406 1.00 127.41 ? 305 THR A CB 1 ATOM 1885 O OG1 . THR A 1 277 ? 24.148 18.367 -14.262 1.00 132.25 ? 305 THR A OG1 1 ATOM 1886 C CG2 . THR A 1 277 ? 22.974 19.795 -15.856 1.00 124.22 ? 305 THR A CG2 1 ATOM 1887 N N . SER A 1 278 ? 25.622 20.942 -12.935 1.00 124.79 ? 306 SER A N 1 ATOM 1888 C CA . SER A 1 278 ? 26.723 21.891 -12.735 1.00 125.10 ? 306 SER A CA 1 ATOM 1889 C C . SER A 1 278 ? 27.574 22.022 -13.995 1.00 128.73 ? 306 SER A C 1 ATOM 1890 O O . SER A 1 278 ? 28.121 21.033 -14.496 1.00 137.15 ? 306 SER A O 1 ATOM 1891 C CB . SER A 1 278 ? 27.605 21.490 -11.546 1.00 126.88 ? 306 SER A CB 1 ATOM 1892 O OG . SER A 1 278 ? 28.358 20.309 -11.784 1.00 125.60 ? 306 SER A OG 1 ATOM 1893 N N . GLY A 1 279 ? 27.713 23.256 -14.481 1.00 117.20 ? 307 GLY A N 1 ATOM 1894 C CA . GLY A 1 279 ? 28.496 23.564 -15.654 1.00 111.69 ? 307 GLY A CA 1 ATOM 1895 C C . GLY A 1 279 ? 27.698 23.665 -16.939 1.00 102.86 ? 307 GLY A C 1 ATOM 1896 O O . GLY A 1 279 ? 28.114 24.389 -17.855 1.00 101.32 ? 307 GLY A O 1 ATOM 1897 N N . GLY A 1 280 ? 26.531 23.034 -17.009 1.00 97.22 ? 308 GLY A N 1 ATOM 1898 C CA . GLY A 1 280 ? 25.750 23.233 -18.201 1.00 97.48 ? 308 GLY A CA 1 ATOM 1899 C C . GLY A 1 280 ? 24.830 24.395 -17.947 1.00 97.64 ? 308 GLY A C 1 ATOM 1900 O O . GLY A 1 280 ? 24.001 24.365 -17.036 1.00 107.57 ? 308 GLY A O 1 ATOM 1901 N N . TRP A 1 281 ? 24.944 25.399 -18.808 1.00 84.48 ? 309 TRP A N 1 ATOM 1902 C CA . TRP A 1 281 ? 24.144 26.604 -18.733 1.00 69.21 ? 309 TRP A CA 1 ATOM 1903 C C . TRP A 1 281 ? 22.806 26.420 -19.430 1.00 75.75 ? 309 TRP A C 1 ATOM 1904 O O . TRP A 1 281 ? 22.710 25.767 -20.475 1.00 90.52 ? 309 TRP A O 1 ATOM 1905 C CB . TRP A 1 281 ? 24.913 27.767 -19.339 1.00 59.33 ? 309 TRP A CB 1 ATOM 1906 C CG . TRP A 1 281 ? 26.114 28.088 -18.518 1.00 79.24 ? 309 TRP A CG 1 ATOM 1907 C CD1 . TRP A 1 281 ? 27.384 27.601 -18.682 1.00 80.85 ? 309 TRP A CD1 1 ATOM 1908 C CD2 . TRP A 1 281 ? 26.160 28.953 -17.379 1.00 81.69 ? 309 TRP A CD2 1 ATOM 1909 N NE1 . TRP A 1 281 ? 28.212 28.117 -17.716 1.00 78.17 ? 309 TRP A NE1 1 ATOM 1910 C CE2 . TRP A 1 281 ? 27.485 28.947 -16.904 1.00 75.94 ? 309 TRP A CE2 1 ATOM 1911 C CE3 . TRP A 1 281 ? 25.207 29.734 -16.717 1.00 90.28 ? 309 TRP A CE3 1 ATOM 1912 C CZ2 . TRP A 1 281 ? 27.879 29.688 -15.807 1.00 81.06 ? 309 TRP A CZ2 1 ATOM 1913 C CZ3 . TRP A 1 281 ? 25.601 30.470 -15.625 1.00 93.78 ? 309 TRP A CZ3 1 ATOM 1914 C CH2 . TRP A 1 281 ? 26.925 30.444 -15.182 1.00 91.28 ? 309 TRP A CH2 1 ATOM 1915 N N . GLN A 1 282 ? 21.773 26.994 -18.830 1.00 68.23 ? 310 GLN A N 1 ATOM 1916 C CA . GLN A 1 282 ? 20.417 26.883 -19.323 1.00 65.65 ? 310 GLN A CA 1 ATOM 1917 C C . GLN A 1 282 ? 19.723 28.230 -19.158 1.00 71.34 ? 310 GLN A C 1 ATOM 1918 O O . GLN A 1 282 ? 20.101 29.039 -18.305 1.00 83.82 ? 310 GLN A O 1 ATOM 1919 C CB . GLN A 1 282 ? 19.669 25.778 -18.573 1.00 74.83 ? 310 GLN A CB 1 ATOM 1920 C CG . GLN A 1 282 ? 20.241 24.378 -18.816 1.00 93.33 ? 310 GLN A CG 1 ATOM 1921 C CD . GLN A 1 282 ? 19.509 23.285 -18.040 1.00 110.81 ? 310 GLN A CD 1 ATOM 1922 O OE1 . GLN A 1 282 ? 18.888 23.542 -17.004 1.00 115.44 ? 310 GLN A OE1 1 ATOM 1923 N NE2 . GLN A 1 282 ? 19.580 22.058 -18.546 1.00 120.14 ? 310 GLN A NE2 1 ATOM 1924 N N . TRP A 1 283 ? 18.728 28.483 -20.004 1.00 60.44 ? 311 TRP A N 1 ATOM 1925 C CA . TRP A 1 283 ? 17.823 29.596 -19.790 1.00 55.43 ? 311 TRP A CA 1 ATOM 1926 C C . TRP A 1 283 ? 16.693 29.127 -18.888 1.00 64.79 ? 311 TRP A C 1 ATOM 1927 O O . TRP A 1 283 ? 16.266 27.972 -18.959 1.00 68.48 ? 311 TRP A O 1 ATOM 1928 C CB . TRP A 1 283 ? 17.252 30.156 -21.095 1.00 49.50 ? 311 TRP A CB 1 ATOM 1929 C CG . TRP A 1 283 ? 18.239 30.903 -21.906 1.00 54.81 ? 311 TRP A CG 1 ATOM 1930 C CD1 . TRP A 1 283 ? 18.844 30.487 -23.062 1.00 45.70 ? 311 TRP A CD1 1 ATOM 1931 C CD2 . TRP A 1 283 ? 18.812 32.165 -21.588 1.00 51.00 ? 311 TRP A CD2 1 ATOM 1932 N NE1 . TRP A 1 283 ? 19.721 31.439 -23.499 1.00 51.02 ? 311 TRP A NE1 1 ATOM 1933 C CE2 . TRP A 1 283 ? 19.728 32.479 -22.611 1.00 45.20 ? 311 TRP A CE2 1 ATOM 1934 C CE3 . TRP A 1 283 ? 18.645 33.058 -20.541 1.00 54.11 ? 311 TRP A CE3 1 ATOM 1935 C CZ2 . TRP A 1 283 ? 20.473 33.646 -22.611 1.00 48.59 ? 311 TRP A CZ2 1 ATOM 1936 C CZ3 . TRP A 1 283 ? 19.381 34.237 -20.551 1.00 45.78 ? 311 TRP A CZ3 1 ATOM 1937 C CH2 . TRP A 1 283 ? 20.281 34.513 -21.578 1.00 54.16 ? 311 TRP A CH2 1 ATOM 1938 N N . SER A 1 284 ? 16.251 30.027 -18.012 1.00 60.76 ? 312 SER A N 1 ATOM 1939 C CA . SER A 1 284 ? 15.191 29.721 -17.066 1.00 62.16 ? 312 SER A CA 1 ATOM 1940 C C . SER A 1 284 ? 13.946 29.236 -17.799 1.00 54.85 ? 312 SER A C 1 ATOM 1941 O O . SER A 1 284 ? 13.449 28.140 -17.544 1.00 50.78 ? 312 SER A O 1 ATOM 1942 C CB . SER A 1 284 ? 14.919 30.978 -16.215 1.00 60.39 ? 312 SER A CB 1 ATOM 1943 O OG . SER A 1 284 ? 13.758 30.863 -15.411 1.00 70.42 ? 312 SER A OG 1 ATOM 1944 N N . ASP A 1 285 ? 13.426 30.049 -18.713 1.00 47.57 ? 313 ASP A N 1 ATOM 1945 C CA . ASP A 1 285 ? 12.501 29.525 -19.691 1.00 62.81 ? 313 ASP A CA 1 ATOM 1946 C C . ASP A 1 285 ? 13.284 28.599 -20.610 1.00 69.91 ? 313 ASP A C 1 ATOM 1947 O O . ASP A 1 285 ? 14.510 28.658 -20.680 1.00 84.21 ? 313 ASP A O 1 ATOM 1948 C CB . ASP A 1 285 ? 11.802 30.670 -20.437 1.00 66.16 ? 313 ASP A CB 1 ATOM 1949 C CG . ASP A 1 285 ? 12.735 31.498 -21.327 1.00 67.90 ? 313 ASP A CG 1 ATOM 1950 O OD1 . ASP A 1 285 ? 13.816 31.040 -21.740 1.00 56.06 ? 313 ASP A OD1 1 ATOM 1951 O OD2 . ASP A 1 285 ? 12.380 32.661 -21.597 1.00 81.52 ? 313 ASP A OD2 1 ATOM 1952 N N . ASN A 1 286 ? 12.611 27.740 -21.314 1.00 47.46 ? 314 ASN A N 1 ATOM 1953 C CA . ASN A 1 286 ? 13.465 26.667 -21.822 1.00 73.45 ? 314 ASN A CA 1 ATOM 1954 C C . ASN A 1 286 ? 14.234 27.045 -23.124 1.00 66.32 ? 314 ASN A C 1 ATOM 1955 O O . ASN A 1 286 ? 14.599 26.150 -23.879 1.00 76.80 ? 314 ASN A O 1 ATOM 1956 C CB . ASN A 1 286 ? 12.684 25.369 -22.013 1.00 88.43 ? 314 ASN A CB 1 ATOM 1957 C CG . ASN A 1 286 ? 13.596 24.145 -21.948 1.00 97.42 ? 314 ASN A CG 1 ATOM 1958 O OD1 . ASN A 1 286 ? 14.583 24.144 -21.199 1.00 103.18 ? 314 ASN A OD1 1 ATOM 1959 N ND2 . ASN A 1 286 ? 13.293 23.118 -22.746 1.00 96.81 ? 314 ASN A ND2 1 ATOM 1960 N N . SER A 1 287 ? 14.402 28.328 -23.435 1.00 54.28 ? 315 SER A N 1 ATOM 1961 C CA . SER A 1 287 ? 14.994 28.740 -24.698 1.00 56.85 ? 315 SER A CA 1 ATOM 1962 C C . SER A 1 287 ? 16.295 27.991 -24.976 1.00 69.38 ? 315 SER A C 1 ATOM 1963 O O . SER A 1 287 ? 17.059 27.693 -24.046 1.00 65.01 ? 315 SER A O 1 ATOM 1964 C CB . SER A 1 287 ? 15.262 30.241 -24.682 1.00 53.72 ? 315 SER A CB 1 ATOM 1965 O OG . SER A 1 287 ? 14.029 30.907 -24.591 1.00 57.73 ? 315 SER A OG 1 ATOM 1966 N N . PRO A 1 288 ? 16.560 27.645 -26.230 1.00 71.48 ? 316 PRO A N 1 ATOM 1967 C CA . PRO A 1 288 ? 17.837 27.024 -26.560 1.00 71.62 ? 316 PRO A CA 1 ATOM 1968 C C . PRO A 1 288 ? 18.946 28.026 -26.326 1.00 64.37 ? 316 PRO A C 1 ATOM 1969 O O . PRO A 1 288 ? 18.748 29.238 -26.456 1.00 57.90 ? 316 PRO A O 1 ATOM 1970 C CB . PRO A 1 288 ? 17.690 26.694 -28.046 1.00 63.36 ? 316 PRO A CB 1 ATOM 1971 C CG . PRO A 1 288 ? 16.773 27.727 -28.553 1.00 62.90 ? 316 PRO A CG 1 ATOM 1972 C CD . PRO A 1 288 ? 15.796 27.995 -27.436 1.00 70.23 ? 316 PRO A CD 1 ATOM 1973 N N . LEU A 1 289 ? 20.137 27.522 -26.002 1.00 51.99 ? 317 LEU A N 1 ATOM 1974 C CA . LEU A 1 289 ? 21.226 28.459 -25.789 1.00 50.98 ? 317 LEU A CA 1 ATOM 1975 C C . LEU A 1 289 ? 21.853 28.616 -27.173 1.00 66.32 ? 317 LEU A C 1 ATOM 1976 O O . LEU A 1 289 ? 22.833 27.955 -27.542 1.00 57.15 ? 317 LEU A O 1 ATOM 1977 C CB . LEU A 1 289 ? 22.183 27.909 -24.727 1.00 61.69 ? 317 LEU A CB 1 ATOM 1978 C CG . LEU A 1 289 ? 23.462 28.692 -24.365 1.00 64.30 ? 317 LEU A CG 1 ATOM 1979 C CD1 . LEU A 1 289 ? 23.053 30.022 -23.819 1.00 57.61 ? 317 LEU A CD1 1 ATOM 1980 C CD2 . LEU A 1 289 ? 24.429 27.948 -23.396 1.00 58.41 ? 317 LEU A CD2 1 ATOM 1981 N N . LYS A 1 290 ? 21.313 29.581 -27.912 1.00 63.66 ? 318 LYS A N 1 ATOM 1982 C CA . LYS A 1 290 ? 21.661 29.812 -29.301 1.00 62.71 ? 318 LYS A CA 1 ATOM 1983 C C . LYS A 1 290 ? 22.580 31.007 -29.504 1.00 59.44 ? 318 LYS A C 1 ATOM 1984 O O . LYS A 1 290 ? 23.336 31.047 -30.487 1.00 60.07 ? 318 LYS A O 1 ATOM 1985 C CB . LYS A 1 290 ? 20.357 30.023 -30.070 1.00 70.01 ? 318 LYS A CB 1 ATOM 1986 C CG . LYS A 1 290 ? 20.492 30.196 -31.531 1.00 86.03 ? 318 LYS A CG 1 ATOM 1987 C CD . LYS A 1 290 ? 19.121 30.410 -32.113 1.00 89.89 ? 318 LYS A CD 1 ATOM 1988 C CE . LYS A 1 290 ? 18.616 31.712 -31.678 1.00 76.02 ? 318 LYS A CE 1 ATOM 1989 N NZ . LYS A 1 290 ? 19.651 32.669 -32.189 1.00 80.34 ? 318 LYS A NZ 1 ATOM 1990 N N . TYR A 1 291 ? 22.596 31.919 -28.545 1.00 53.00 ? 319 TYR A N 1 ATOM 1991 C CA . TYR A 1 291 ? 23.299 33.188 -28.621 1.00 66.10 ? 319 TYR A CA 1 ATOM 1992 C C . TYR A 1 291 ? 24.036 33.398 -27.303 1.00 74.85 ? 319 TYR A C 1 ATOM 1993 O O . TYR A 1 291 ? 23.480 33.136 -26.231 1.00 81.06 ? 319 TYR A O 1 ATOM 1994 C CB . TYR A 1 291 ? 22.309 34.353 -28.912 1.00 63.40 ? 319 TYR A CB 1 ATOM 1995 C CG . TYR A 1 291 ? 22.983 35.700 -28.842 1.00 64.81 ? 319 TYR A CG 1 ATOM 1996 C CD1 . TYR A 1 291 ? 23.749 36.182 -29.896 1.00 59.43 ? 319 TYR A CD1 1 ATOM 1997 C CD2 . TYR A 1 291 ? 22.895 36.470 -27.690 1.00 63.53 ? 319 TYR A CD2 1 ATOM 1998 C CE1 . TYR A 1 291 ? 24.391 37.417 -29.806 1.00 63.13 ? 319 TYR A CE1 1 ATOM 1999 C CE2 . TYR A 1 291 ? 23.527 37.684 -27.586 1.00 64.11 ? 319 TYR A CE2 1 ATOM 2000 C CZ . TYR A 1 291 ? 24.273 38.157 -28.636 1.00 68.42 ? 319 TYR A CZ 1 ATOM 2001 O OH . TYR A 1 291 ? 24.886 39.379 -28.484 1.00 71.08 ? 319 TYR A OH 1 ATOM 2002 N N . LEU A 1 292 ? 25.289 33.850 -27.378 1.00 80.12 ? 320 LEU A N 1 ATOM 2003 C CA . LEU A 1 292 ? 26.131 34.032 -26.196 1.00 73.08 ? 320 LEU A CA 1 ATOM 2004 C C . LEU A 1 292 ? 26.788 35.396 -26.220 1.00 81.51 ? 320 LEU A C 1 ATOM 2005 O O . LEU A 1 292 ? 27.462 35.746 -27.196 1.00 87.70 ? 320 LEU A O 1 ATOM 2006 C CB . LEU A 1 292 ? 27.218 32.968 -26.091 1.00 70.41 ? 320 LEU A CB 1 ATOM 2007 C CG . LEU A 1 292 ? 26.764 31.567 -25.755 1.00 74.71 ? 320 LEU A CG 1 ATOM 2008 C CD1 . LEU A 1 292 ? 27.985 30.724 -25.634 1.00 90.72 ? 320 LEU A CD1 1 ATOM 2009 C CD2 . LEU A 1 292 ? 26.049 31.601 -24.456 1.00 73.87 ? 320 LEU A CD2 1 ATOM 2010 N N . ASN A 1 293 ? 26.527 36.181 -25.178 1.00 79.85 ? 321 ASN A N 1 ATOM 2011 C CA . ASN A 1 293 ? 27.145 37.482 -24.947 1.00 86.26 ? 321 ASN A CA 1 ATOM 2012 C C . ASN A 1 293 ? 28.129 37.511 -23.774 1.00 74.71 ? 321 ASN A C 1 ATOM 2013 O O . ASN A 1 293 ? 28.250 38.559 -23.128 1.00 61.06 ? 321 ASN A O 1 ATOM 2014 C CB . ASN A 1 293 ? 26.091 38.576 -24.795 1.00 89.36 ? 321 ASN A CB 1 ATOM 2015 C CG . ASN A 1 293 ? 26.653 39.938 -25.124 1.00 92.13 ? 321 ASN A CG 1 ATOM 2016 O OD1 . ASN A 1 293 ? 27.631 40.039 -25.881 1.00 87.17 ? 321 ASN A OD1 1 ATOM 2017 N ND2 . ASN A 1 293 ? 26.044 40.995 -24.581 1.00 93.17 ? 321 ASN A ND2 1 ATOM 2018 N N . TRP A 1 294 ? 28.674 36.369 -23.343 1.00 78.43 ? 322 TRP A N 1 ATOM 2019 C CA . TRP A 1 294 ? 29.554 36.405 -22.170 1.00 71.98 ? 322 TRP A CA 1 ATOM 2020 C C . TRP A 1 294 ? 30.610 37.502 -22.292 1.00 71.76 ? 322 TRP A C 1 ATOM 2021 O O . TRP A 1 294 ? 31.174 37.733 -23.362 1.00 70.47 ? 322 TRP A O 1 ATOM 2022 C CB . TRP A 1 294 ? 30.284 35.083 -21.955 1.00 65.15 ? 322 TRP A CB 1 ATOM 2023 C CG . TRP A 1 294 ? 29.489 33.919 -21.489 1.00 70.84 ? 322 TRP A CG 1 ATOM 2024 C CD1 . TRP A 1 294 ? 29.230 32.781 -22.178 1.00 72.54 ? 322 TRP A CD1 1 ATOM 2025 C CD2 . TRP A 1 294 ? 28.819 33.790 -20.229 1.00 70.48 ? 322 TRP A CD2 1 ATOM 2026 N NE1 . TRP A 1 294 ? 28.479 31.922 -21.412 1.00 74.49 ? 322 TRP A NE1 1 ATOM 2027 C CE2 . TRP A 1 294 ? 28.202 32.526 -20.214 1.00 72.21 ? 322 TRP A CE2 1 ATOM 2028 C CE3 . TRP A 1 294 ? 28.692 34.619 -19.108 1.00 73.96 ? 322 TRP A CE3 1 ATOM 2029 C CZ2 . TRP A 1 294 ? 27.466 32.063 -19.122 1.00 75.97 ? 322 TRP A CZ2 1 ATOM 2030 C CZ3 . TRP A 1 294 ? 27.959 34.164 -18.024 1.00 76.28 ? 322 TRP A CZ3 1 ATOM 2031 C CH2 . TRP A 1 294 ? 27.355 32.893 -18.037 1.00 74.99 ? 322 TRP A CH2 1 ATOM 2032 N N . GLU A 1 295 ? 30.876 38.189 -21.188 1.00 82.94 ? 323 GLU A N 1 ATOM 2033 C CA . GLU A 1 295 ? 31.933 39.184 -21.237 1.00 88.09 ? 323 GLU A CA 1 ATOM 2034 C C . GLU A 1 295 ? 33.280 38.476 -21.291 1.00 103.34 ? 323 GLU A C 1 ATOM 2035 O O . GLU A 1 295 ? 33.372 37.249 -21.177 1.00 108.38 ? 323 GLU A O 1 ATOM 2036 C CB . GLU A 1 295 ? 31.849 40.125 -20.030 1.00 75.88 ? 323 GLU A CB 1 ATOM 2037 N N . SER A 1 296 ? 34.341 39.259 -21.461 1.00 109.50 ? 324 SER A N 1 ATOM 2038 C CA . SER A 1 296 ? 35.653 38.658 -21.643 1.00 109.60 ? 324 SER A CA 1 ATOM 2039 C C . SER A 1 296 ? 36.057 37.933 -20.371 1.00 111.55 ? 324 SER A C 1 ATOM 2040 O O . SER A 1 296 ? 35.986 38.493 -19.272 1.00 112.59 ? 324 SER A O 1 ATOM 2041 C CB . SER A 1 296 ? 36.688 39.711 -22.025 1.00 114.76 ? 324 SER A CB 1 ATOM 2042 O OG . SER A 1 296 ? 36.429 40.209 -23.328 1.00 117.40 ? 324 SER A OG 1 ATOM 2043 N N . ASP A 1 297 ? 36.423 36.664 -20.527 1.00 112.90 ? 325 ASP A N 1 ATOM 2044 C CA . ASP A 1 297 ? 36.814 35.802 -19.415 1.00 122.28 ? 325 ASP A CA 1 ATOM 2045 C C . ASP A 1 297 ? 35.668 35.560 -18.436 1.00 116.67 ? 325 ASP A C 1 ATOM 2046 O O . ASP A 1 297 ? 35.893 35.341 -17.245 1.00 114.08 ? 325 ASP A O 1 ATOM 2047 C CB . ASP A 1 297 ? 38.035 36.363 -18.697 1.00 133.48 ? 325 ASP A CB 1 ATOM 2048 C CG . ASP A 1 297 ? 39.282 36.276 -19.544 1.00 140.72 ? 325 ASP A CG 1 ATOM 2049 O OD1 . ASP A 1 297 ? 39.280 35.481 -20.515 1.00 135.80 ? 325 ASP A OD1 1 ATOM 2050 O OD2 . ASP A 1 297 ? 40.250 37.012 -19.248 1.00 145.99 ? 325 ASP A OD2 1 ATOM 2051 N N . GLN A 1 298 ? 34.437 35.583 -18.937 1.00 107.75 ? 326 GLN A N 1 ATOM 2052 C CA . GLN A 1 298 ? 33.314 34.971 -18.246 1.00 96.26 ? 326 GLN A CA 1 ATOM 2053 C C . GLN A 1 298 ? 32.893 33.780 -19.079 1.00 92.18 ? 326 GLN A C 1 ATOM 2054 O O . GLN A 1 298 ? 33.121 33.768 -20.284 1.00 107.00 ? 326 GLN A O 1 ATOM 2055 C CB . GLN A 1 298 ? 32.138 35.941 -18.092 1.00 90.29 ? 326 GLN A CB 1 ATOM 2056 C CG . GLN A 1 298 ? 32.437 37.254 -17.414 1.00 100.93 ? 326 GLN A CG 1 ATOM 2057 C CD . GLN A 1 298 ? 32.595 37.102 -15.908 1.00 108.47 ? 326 GLN A CD 1 ATOM 2058 O OE1 . GLN A 1 298 ? 31.951 36.258 -15.287 1.00 107.23 ? 326 GLN A OE1 1 ATOM 2059 N NE2 . GLN A 1 298 ? 33.441 37.931 -15.315 1.00 115.06 ? 326 GLN A NE2 1 ATOM 2060 N N . PRO A 1 299 ? 32.279 32.770 -18.452 1.00 88.42 ? 327 PRO A N 1 ATOM 2061 C CA . PRO A 1 299 ? 31.990 32.628 -17.027 1.00 90.56 ? 327 PRO A CA 1 ATOM 2062 C C . PRO A 1 299 ? 33.171 32.147 -16.204 1.00 109.70 ? 327 PRO A C 1 ATOM 2063 O O . PRO A 1 299 ? 34.022 31.430 -16.720 1.00 114.32 ? 327 PRO A O 1 ATOM 2064 C CB . PRO A 1 299 ? 30.883 31.571 -16.995 1.00 83.05 ? 327 PRO A CB 1 ATOM 2065 C CG . PRO A 1 299 ? 30.868 30.946 -18.368 1.00 86.74 ? 327 PRO A CG 1 ATOM 2066 C CD . PRO A 1 299 ? 32.004 31.522 -19.162 1.00 83.78 ? 327 PRO A CD 1 ATOM 2067 N N . ASP A 1 300 ? 33.220 32.552 -14.941 1.00 108.55 ? 328 ASP A N 1 ATOM 2068 C CA . ASP A 1 300 ? 34.255 32.105 -14.017 1.00 115.93 ? 328 ASP A CA 1 ATOM 2069 C C . ASP A 1 300 ? 33.593 31.573 -12.745 1.00 120.43 ? 328 ASP A C 1 ATOM 2070 O O . ASP A 1 300 ? 32.365 31.447 -12.695 1.00 125.61 ? 328 ASP A O 1 ATOM 2071 C CB . ASP A 1 300 ? 35.281 33.221 -13.773 1.00 115.85 ? 328 ASP A CB 1 ATOM 2072 C CG . ASP A 1 300 ? 34.659 34.523 -13.294 1.00 122.56 ? 328 ASP A CG 1 ATOM 2073 O OD1 . ASP A 1 300 ? 33.484 34.551 -12.866 1.00 128.21 ? 328 ASP A OD1 1 ATOM 2074 O OD2 . ASP A 1 300 ? 35.362 35.550 -13.387 1.00 124.16 ? 328 ASP A OD2 1 ATOM 2075 N N . ASN A 1 301 ? 34.400 31.217 -11.746 1.00 115.44 ? 329 ASN A N 1 ATOM 2076 C CA . ASN A 1 301 ? 33.987 30.635 -10.469 1.00 110.44 ? 329 ASN A CA 1 ATOM 2077 C C . ASN A 1 301 ? 32.883 29.571 -10.587 1.00 107.10 ? 329 ASN A C 1 ATOM 2078 O O . ASN A 1 301 ? 31.793 29.748 -10.040 1.00 109.79 ? 329 ASN A O 1 ATOM 2079 C CB . ASN A 1 301 ? 33.561 31.731 -9.496 1.00 111.70 ? 329 ASN A CB 1 ATOM 2080 C CG . ASN A 1 301 ? 34.669 32.715 -9.188 1.00 121.57 ? 329 ASN A CG 1 ATOM 2081 O OD1 . ASN A 1 301 ? 34.727 33.796 -9.775 1.00 119.92 ? 329 ASN A OD1 1 ATOM 2082 N ND2 . ASN A 1 301 ? 35.552 32.352 -8.265 1.00 132.37 ? 329 ASN A ND2 1 ATOM 2083 N N . PRO A 1 302 ? 33.154 28.450 -11.264 1.00 101.22 ? 330 PRO A N 1 ATOM 2084 C CA . PRO A 1 302 ? 32.089 27.455 -11.517 1.00 106.53 ? 330 PRO A CA 1 ATOM 2085 C C . PRO A 1 302 ? 31.412 26.939 -10.253 1.00 119.72 ? 330 PRO A C 1 ATOM 2086 O O . PRO A 1 302 ? 30.310 26.374 -10.336 1.00 113.68 ? 330 PRO A O 1 ATOM 2087 C CB . PRO A 1 302 ? 32.814 26.330 -12.273 1.00 104.21 ? 330 PRO A CB 1 ATOM 2088 C CG . PRO A 1 302 ? 34.265 26.594 -12.088 1.00 108.38 ? 330 PRO A CG 1 ATOM 2089 C CD . PRO A 1 302 ? 34.420 28.071 -11.905 1.00 103.08 ? 330 PRO A CD 1 ATOM 2090 N N . SER A 1 303 ? 32.061 27.092 -9.095 1.00 138.03 ? 331 SER A N 1 ATOM 2091 C CA . SER A 1 303 ? 31.633 26.518 -7.825 1.00 146.50 ? 331 SER A CA 1 ATOM 2092 C C . SER A 1 303 ? 30.425 27.162 -7.148 1.00 145.46 ? 331 SER A C 1 ATOM 2093 O O . SER A 1 303 ? 29.356 26.542 -7.105 1.00 146.07 ? 331 SER A O 1 ATOM 2094 C CB . SER A 1 303 ? 32.811 26.552 -6.847 1.00 152.57 ? 331 SER A CB 1 ATOM 2095 O OG . SER A 1 303 ? 32.517 25.842 -5.659 1.00 158.79 ? 331 SER A OG 1 ATOM 2096 N N . GLU A 1 304 ? 30.554 28.377 -6.606 1.00 144.48 ? 332 GLU A N 1 ATOM 2097 C CA . GLU A 1 304 ? 29.372 29.109 -6.147 1.00 144.97 ? 332 GLU A CA 1 ATOM 2098 C C . GLU A 1 304 ? 28.825 30.220 -7.058 1.00 140.18 ? 332 GLU A C 1 ATOM 2099 O O . GLU A 1 304 ? 27.844 30.860 -6.659 1.00 142.55 ? 332 GLU A O 1 ATOM 2100 C CB . GLU A 1 304 ? 29.614 29.677 -4.738 1.00 147.69 ? 332 GLU A CB 1 ATOM 2101 C CG . GLU A 1 304 ? 29.671 28.605 -3.639 1.00 150.11 ? 332 GLU A CG 1 ATOM 2102 C CD . GLU A 1 304 ? 29.716 29.191 -2.231 1.00 149.11 ? 332 GLU A CD 1 ATOM 2103 O OE1 . GLU A 1 304 ? 29.853 30.423 -2.094 1.00 146.03 ? 332 GLU A OE1 1 ATOM 2104 O OE2 . GLU A 1 304 ? 29.599 28.419 -1.256 1.00 151.17 ? 332 GLU A OE2 1 ATOM 2105 N N . GLU A 1 305 ? 29.377 30.489 -8.256 1.00 122.83 ? 333 GLU A N 1 ATOM 2106 C CA . GLU A 1 305 ? 28.730 31.468 -9.148 1.00 95.76 ? 333 GLU A CA 1 ATOM 2107 C C . GLU A 1 305 ? 27.954 30.721 -10.226 1.00 89.89 ? 333 GLU A C 1 ATOM 2108 O O . GLU A 1 305 ? 28.510 30.297 -11.245 1.00 93.74 ? 333 GLU A O 1 ATOM 2109 C CB . GLU A 1 305 ? 29.732 32.435 -9.767 1.00 89.25 ? 333 GLU A CB 1 ATOM 2110 C CG . GLU A 1 305 ? 30.233 33.494 -8.792 1.00 96.61 ? 333 GLU A CG 1 ATOM 2111 C CD . GLU A 1 305 ? 31.217 34.478 -9.416 1.00 101.25 ? 333 GLU A CD 1 ATOM 2112 O OE1 . GLU A 1 305 ? 31.722 34.218 -10.535 1.00 108.02 ? 333 GLU A OE1 1 ATOM 2113 O OE2 . GLU A 1 305 ? 31.462 35.531 -8.789 1.00 92.91 ? 333 GLU A OE2 1 ATOM 2114 N N . ASN A 1 306 ? 26.651 30.591 -9.994 1.00 82.08 ? 334 ASN A N 1 ATOM 2115 C CA . ASN A 1 306 ? 25.789 29.769 -10.824 1.00 76.62 ? 334 ASN A CA 1 ATOM 2116 C C . ASN A 1 306 ? 24.759 30.539 -11.639 1.00 73.22 ? 334 ASN A C 1 ATOM 2117 O O . ASN A 1 306 ? 23.982 29.909 -12.359 1.00 72.75 ? 334 ASN A O 1 ATOM 2118 C CB . ASN A 1 306 ? 25.102 28.727 -9.944 1.00 83.78 ? 334 ASN A CB 1 ATOM 2119 C CG . ASN A 1 306 ? 26.095 27.776 -9.311 1.00 90.52 ? 334 ASN A CG 1 ATOM 2120 O OD1 . ASN A 1 306 ? 26.616 26.873 -9.966 1.00 94.18 ? 334 ASN A OD1 1 ATOM 2121 N ND2 . ASN A 1 306 ? 26.382 27.990 -8.033 1.00 91.42 ? 334 ASN A ND2 1 ATOM 2122 N N . CYS A 1 307 ? 24.676 31.863 -11.515 1.00 65.12 ? 335 CYS A N 1 ATOM 2123 C CA . CYS A 1 307 ? 23.563 32.590 -12.118 1.00 68.56 ? 335 CYS A CA 1 ATOM 2124 C C . CYS A 1 307 ? 24.061 33.789 -12.901 1.00 65.28 ? 335 CYS A C 1 ATOM 2125 O O . CYS A 1 307 ? 25.000 34.469 -12.489 1.00 60.78 ? 335 CYS A O 1 ATOM 2126 C CB . CYS A 1 307 ? 22.545 33.065 -11.064 1.00 81.33 ? 335 CYS A CB 1 ATOM 2127 S SG . CYS A 1 307 ? 21.594 31.741 -10.281 1.00 84.45 ? 335 CYS A SG 1 ATOM 2128 N N . GLY A 1 308 ? 23.416 34.067 -14.018 1.00 64.27 ? 336 GLY A N 1 ATOM 2129 C CA . GLY A 1 308 ? 23.898 35.104 -14.894 1.00 58.40 ? 336 GLY A CA 1 ATOM 2130 C C . GLY A 1 308 ? 23.283 36.458 -14.604 1.00 58.19 ? 336 GLY A C 1 ATOM 2131 O O . GLY A 1 308 ? 22.148 36.570 -14.134 1.00 56.28 ? 336 GLY A O 1 ATOM 2132 N N . VAL A 1 309 ? 24.039 37.493 -14.947 1.00 55.39 ? 337 VAL A N 1 ATOM 2133 C CA . VAL A 1 309 ? 23.573 38.864 -14.827 1.00 62.04 ? 337 VAL A CA 1 ATOM 2134 C C . VAL A 1 309 ? 23.958 39.572 -16.101 1.00 60.90 ? 337 VAL A C 1 ATOM 2135 O O . VAL A 1 309 ? 24.929 39.201 -16.765 1.00 57.29 ? 337 VAL A O 1 ATOM 2136 C CB . VAL A 1 309 ? 24.175 39.626 -13.644 1.00 56.88 ? 337 VAL A CB 1 ATOM 2137 C CG1 . VAL A 1 309 ? 23.741 39.006 -12.342 1.00 70.05 ? 337 VAL A CG1 1 ATOM 2138 C CG2 . VAL A 1 309 ? 25.691 39.661 -13.791 1.00 54.17 ? 337 VAL A CG2 1 ATOM 2139 N N . ILE A 1 310 ? 23.208 40.607 -16.423 1.00 55.41 ? 338 ILE A N 1 ATOM 2140 C CA . ILE A 1 310 ? 23.555 41.490 -17.512 1.00 56.90 ? 338 ILE A CA 1 ATOM 2141 C C . ILE A 1 310 ? 24.018 42.795 -16.892 1.00 70.85 ? 338 ILE A C 1 ATOM 2142 O O . ILE A 1 310 ? 23.433 43.268 -15.908 1.00 83.97 ? 338 ILE A O 1 ATOM 2143 C CB . ILE A 1 310 ? 22.376 41.650 -18.492 1.00 61.01 ? 338 ILE A CB 1 ATOM 2144 C CG1 . ILE A 1 310 ? 22.805 42.437 -19.721 1.00 65.72 ? 338 ILE A CG1 1 ATOM 2145 C CG2 . ILE A 1 310 ? 21.171 42.274 -17.836 1.00 55.53 ? 338 ILE A CG2 1 ATOM 2146 C CD1 . ILE A 1 310 ? 21.762 42.393 -20.772 1.00 65.85 ? 338 ILE A CD1 1 ATOM 2147 N N . ARG A 1 311 ? 25.122 43.325 -17.416 1.00 70.61 ? 339 ARG A N 1 ATOM 2148 C CA . ARG A 1 311 ? 25.845 44.458 -16.841 1.00 63.38 ? 339 ARG A CA 1 ATOM 2149 C C . ARG A 1 311 ? 25.885 45.603 -17.838 1.00 68.72 ? 339 ARG A C 1 ATOM 2150 O O . ARG A 1 311 ? 26.482 45.462 -18.909 1.00 79.56 ? 339 ARG A O 1 ATOM 2151 C CB . ARG A 1 311 ? 27.285 44.070 -16.490 1.00 60.92 ? 339 ARG A CB 1 ATOM 2152 C CG . ARG A 1 311 ? 27.442 43.210 -15.264 1.00 75.35 ? 339 ARG A CG 1 ATOM 2153 C CD . ARG A 1 311 ? 28.813 42.551 -15.205 1.00 88.05 ? 339 ARG A CD 1 ATOM 2154 N NE . ARG A 1 311 ? 29.967 43.433 -15.039 1.00 104.12 ? 339 ARG A NE 1 ATOM 2155 C CZ . ARG A 1 311 ? 30.484 43.799 -13.874 1.00 113.69 ? 339 ARG A CZ 1 ATOM 2156 N NH1 . ARG A 1 311 ? 29.779 43.673 -12.758 1.00 120.25 ? 339 ARG A NH1 1 ATOM 2157 N NH2 . ARG A 1 311 ? 31.574 44.549 -13.864 1.00 115.94 ? 339 ARG A NH2 1 ATOM 2158 N N . THR A 1 312 ? 25.293 46.748 -17.473 1.00 71.81 ? 340 THR A N 1 ATOM 2159 C CA . THR A 1 312 ? 25.553 47.968 -18.234 1.00 78.43 ? 340 THR A CA 1 ATOM 2160 C C . THR A 1 312 ? 27.045 48.263 -18.317 1.00 88.54 ? 340 THR A C 1 ATOM 2161 O O . THR A 1 312 ? 27.519 48.785 -19.334 1.00 81.61 ? 340 THR A O 1 ATOM 2162 C CB . THR A 1 312 ? 24.847 49.157 -17.602 1.00 80.75 ? 340 THR A CB 1 ATOM 2163 O OG1 . THR A 1 312 ? 25.360 49.364 -16.273 1.00 82.44 ? 340 THR A OG1 1 ATOM 2164 C CG2 . THR A 1 312 ? 23.341 48.922 -17.582 1.00 64.41 ? 340 THR A CG2 1 ATOM 2165 N N . GLU A 1 313 ? 27.789 47.943 -17.253 1.00 103.83 ? 341 GLU A N 1 ATOM 2166 C CA . GLU A 1 313 ? 29.239 48.120 -17.245 1.00 109.21 ? 341 GLU A CA 1 ATOM 2167 C C . GLU A 1 313 ? 29.887 47.439 -18.446 1.00 104.47 ? 341 GLU A C 1 ATOM 2168 O O . GLU A 1 313 ? 30.604 48.086 -19.213 1.00 97.35 ? 341 GLU A O 1 ATOM 2169 C CB . GLU A 1 313 ? 29.805 47.596 -15.921 1.00 127.47 ? 341 GLU A CB 1 ATOM 2170 C CG . GLU A 1 313 ? 31.311 47.676 -15.729 1.00 146.52 ? 341 GLU A CG 1 ATOM 2171 C CD . GLU A 1 313 ? 32.018 46.441 -16.247 1.00 166.17 ? 341 GLU A CD 1 ATOM 2172 O OE1 . GLU A 1 313 ? 31.361 45.375 -16.311 1.00 166.06 ? 341 GLU A OE1 1 ATOM 2173 O OE2 . GLU A 1 313 ? 33.224 46.530 -16.578 1.00 177.31 ? 341 GLU A OE2 1 ATOM 2174 N N . SER A 1 314 ? 29.612 46.137 -18.646 1.00 107.09 ? 342 SER A N 1 ATOM 2175 C CA . SER A 1 314 ? 30.073 45.352 -19.800 1.00 99.17 ? 342 SER A CA 1 ATOM 2176 C C . SER A 1 314 ? 29.473 45.899 -21.088 1.00 87.10 ? 342 SER A C 1 ATOM 2177 O O . SER A 1 314 ? 29.774 45.406 -22.177 1.00 90.20 ? 342 SER A O 1 ATOM 2178 C CB . SER A 1 314 ? 29.688 43.859 -19.690 1.00 93.94 ? 342 SER A CB 1 ATOM 2179 O OG . SER A 1 314 ? 30.420 43.092 -18.743 1.00 94.94 ? 342 SER A OG 1 ATOM 2180 N N . SER A 1 315 ? 28.580 46.881 -20.971 1.00 91.40 ? 343 SER A N 1 ATOM 2181 C CA . SER A 1 315 ? 27.686 47.278 -22.055 1.00 92.52 ? 343 SER A CA 1 ATOM 2182 C C . SER A 1 315 ? 26.902 46.057 -22.550 1.00 92.14 ? 343 SER A C 1 ATOM 2183 O O . SER A 1 315 ? 27.100 45.539 -23.644 1.00 85.75 ? 343 SER A O 1 ATOM 2184 C CB . SER A 1 315 ? 28.461 47.967 -23.186 1.00 102.46 ? 343 SER A CB 1 ATOM 2185 O OG . SER A 1 315 ? 27.581 48.413 -24.202 1.00 107.52 ? 343 SER A OG 1 ATOM 2186 N N . GLY A 1 316 ? 26.022 45.590 -21.664 1.00 86.06 ? 344 GLY A N 1 ATOM 2187 C CA . GLY A 1 316 ? 25.151 44.467 -21.919 1.00 74.23 ? 344 GLY A CA 1 ATOM 2188 C C . GLY A 1 316 ? 25.810 43.109 -21.897 1.00 64.77 ? 344 GLY A C 1 ATOM 2189 O O . GLY A 1 316 ? 25.132 42.116 -22.175 1.00 61.84 ? 344 GLY A O 1 ATOM 2190 N N . GLY A 1 317 ? 27.097 43.033 -21.558 1.00 63.91 ? 345 GLY A N 1 ATOM 2191 C CA . GLY A 1 317 ? 27.772 41.753 -21.424 1.00 56.98 ? 345 GLY A CA 1 ATOM 2192 C C . GLY A 1 317 ? 27.284 40.959 -20.229 1.00 60.36 ? 345 GLY A C 1 ATOM 2193 O O . GLY A 1 317 ? 26.598 41.457 -19.338 1.00 74.21 ? 345 GLY A O 1 ATOM 2194 N N . TRP A 1 318 ? 27.549 39.669 -20.259 1.00 69.53 ? 346 TRP A N 1 ATOM 2195 C CA . TRP A 1 318 ? 27.007 38.753 -19.268 1.00 74.22 ? 346 TRP A CA 1 ATOM 2196 C C . TRP A 1 318 ? 28.116 38.352 -18.317 1.00 77.46 ? 346 TRP A C 1 ATOM 2197 O O . TRP A 1 318 ? 29.271 38.198 -18.731 1.00 74.40 ? 346 TRP A O 1 ATOM 2198 C CB . TRP A 1 318 ? 26.448 37.480 -19.902 1.00 66.72 ? 346 TRP A CB 1 ATOM 2199 C CG . TRP A 1 318 ? 25.399 37.700 -20.892 1.00 66.42 ? 346 TRP A CG 1 ATOM 2200 C CD1 . TRP A 1 318 ? 24.774 38.876 -21.185 1.00 63.74 ? 346 TRP A CD1 1 ATOM 2201 C CD2 . TRP A 1 318 ? 24.866 36.716 -21.794 1.00 60.51 ? 346 TRP A CD2 1 ATOM 2202 N NE1 . TRP A 1 318 ? 23.865 38.680 -22.207 1.00 61.66 ? 346 TRP A NE1 1 ATOM 2203 C CE2 . TRP A 1 318 ? 23.903 37.362 -22.594 1.00 56.93 ? 346 TRP A CE2 1 ATOM 2204 C CE3 . TRP A 1 318 ? 25.095 35.347 -21.981 1.00 55.58 ? 346 TRP A CE3 1 ATOM 2205 C CZ2 . TRP A 1 318 ? 23.161 36.685 -23.570 1.00 59.66 ? 346 TRP A CZ2 1 ATOM 2206 C CZ3 . TRP A 1 318 ? 24.349 34.670 -22.944 1.00 60.27 ? 346 TRP A CZ3 1 ATOM 2207 C CH2 . TRP A 1 318 ? 23.388 35.343 -23.722 1.00 58.44 ? 346 TRP A CH2 1 ATOM 2208 N N . GLN A 1 319 ? 27.756 38.168 -17.051 1.00 73.92 ? 347 GLN A N 1 ATOM 2209 C CA . GLN A 1 319 ? 28.611 37.477 -16.103 1.00 77.23 ? 347 GLN A CA 1 ATOM 2210 C C . GLN A 1 319 ? 27.781 36.467 -15.331 1.00 76.83 ? 347 GLN A C 1 ATOM 2211 O O . GLN A 1 319 ? 26.549 36.546 -15.300 1.00 81.92 ? 347 GLN A O 1 ATOM 2212 C CB . GLN A 1 319 ? 29.269 38.430 -15.113 1.00 76.27 ? 347 GLN A CB 1 ATOM 2213 C CG . GLN A 1 319 ? 30.233 39.416 -15.709 1.00 93.56 ? 347 GLN A CG 1 ATOM 2214 C CD . GLN A 1 319 ? 30.941 40.196 -14.617 1.00 111.86 ? 347 GLN A CD 1 ATOM 2215 O OE1 . GLN A 1 319 ? 30.459 40.267 -13.483 1.00 108.91 ? 347 GLN A OE1 1 ATOM 2216 N NE2 . GLN A 1 319 ? 32.079 40.796 -14.953 1.00 122.18 ? 347 GLN A NE2 1 ATOM 2217 N N . ASN A 1 320 ? 28.463 35.525 -14.682 1.00 72.36 ? 348 ASN A N 1 ATOM 2218 C CA . ASN A 1 320 ? 27.803 34.710 -13.672 1.00 81.94 ? 348 ASN A CA 1 ATOM 2219 C C . ASN A 1 320 ? 28.226 35.166 -12.278 1.00 89.08 ? 348 ASN A C 1 ATOM 2220 O O . ASN A 1 320 ? 29.314 35.711 -12.078 1.00 94.04 ? 348 ASN A O 1 ATOM 2221 C CB . ASN A 1 320 ? 28.069 33.211 -13.858 1.00 80.13 ? 348 ASN A CB 1 ATOM 2222 C CG . ASN A 1 320 ? 29.524 32.844 -13.709 1.00 73.58 ? 348 ASN A CG 1 ATOM 2223 O OD1 . ASN A 1 320 ? 30.382 33.716 -13.710 1.00 65.62 ? 348 ASN A OD1 1 ATOM 2224 N ND2 . ASN A 1 320 ? 29.812 31.536 -13.592 1.00 69.48 ? 348 ASN A ND2 1 ATOM 2225 N N . ARG A 1 321 ? 27.316 34.982 -11.325 1.00 91.67 ? 349 ARG A N 1 ATOM 2226 C CA . ARG A 1 321 ? 27.445 35.504 -9.972 1.00 75.85 ? 349 ARG A CA 1 ATOM 2227 C C . ARG A 1 321 ? 26.846 34.511 -8.985 1.00 79.92 ? 349 ARG A C 1 ATOM 2228 O O . ARG A 1 321 ? 26.297 33.466 -9.366 1.00 85.12 ? 349 ARG A O 1 ATOM 2229 C CB . ARG A 1 321 ? 26.782 36.875 -9.864 1.00 57.65 ? 349 ARG A CB 1 ATOM 2230 C CG . ARG A 1 321 ? 27.637 37.987 -10.418 1.00 81.49 ? 349 ARG A CG 1 ATOM 2231 C CD . ARG A 1 321 ? 26.882 39.296 -10.360 1.00 101.83 ? 349 ARG A CD 1 ATOM 2232 N NE . ARG A 1 321 ? 27.677 40.474 -10.710 1.00 105.73 ? 349 ARG A NE 1 ATOM 2233 C CZ . ARG A 1 321 ? 28.283 41.252 -9.823 1.00 111.52 ? 349 ARG A CZ 1 ATOM 2234 N NH1 . ARG A 1 321 ? 28.178 40.995 -8.522 1.00 108.98 ? 349 ARG A NH1 1 ATOM 2235 N NH2 . ARG A 1 321 ? 28.962 42.312 -10.236 1.00 120.66 ? 349 ARG A NH2 1 ATOM 2236 N N . ASP A 1 322 ? 26.967 34.845 -7.701 1.00 82.24 ? 350 ASP A N 1 ATOM 2237 C CA . ASP A 1 322 ? 26.449 34.004 -6.632 1.00 92.69 ? 350 ASP A CA 1 ATOM 2238 C C . ASP A 1 322 ? 24.945 34.233 -6.521 1.00 89.58 ? 350 ASP A C 1 ATOM 2239 O O . ASP A 1 322 ? 24.497 35.364 -6.283 1.00 88.79 ? 350 ASP A O 1 ATOM 2240 C CB . ASP A 1 322 ? 27.158 34.324 -5.314 1.00 106.12 ? 350 ASP A CB 1 ATOM 2241 C CG . ASP A 1 322 ? 26.661 33.468 -4.156 1.00 115.76 ? 350 ASP A CG 1 ATOM 2242 O OD1 . ASP A 1 322 ? 26.964 32.254 -4.109 1.00 120.29 ? 350 ASP A OD1 1 ATOM 2243 O OD2 . ASP A 1 322 ? 25.938 34.014 -3.303 1.00 118.27 ? 350 ASP A OD2 1 ATOM 2244 N N . CYS A 1 323 ? 24.167 33.156 -6.677 1.00 85.91 ? 351 CYS A N 1 ATOM 2245 C CA . CYS A 1 323 ? 22.718 33.276 -6.830 1.00 84.98 ? 351 CYS A CA 1 ATOM 2246 C C . CYS A 1 323 ? 22.030 33.839 -5.591 1.00 92.21 ? 351 CYS A C 1 ATOM 2247 O O . CYS A 1 323 ? 20.809 34.040 -5.624 1.00 89.15 ? 351 CYS A O 1 ATOM 2248 C CB . CYS A 1 323 ? 22.102 31.917 -7.180 1.00 81.48 ? 351 CYS A CB 1 ATOM 2249 S SG . CYS A 1 323 ? 22.762 31.144 -8.710 1.00 108.80 ? 351 CYS A SG 1 ATOM 2250 N N . SER A 1 324 ? 22.761 34.043 -4.489 1.00 73.88 ? 352 SER A N 1 ATOM 2251 C CA . SER A 1 324 ? 22.174 34.573 -3.264 1.00 78.41 ? 352 SER A CA 1 ATOM 2252 C C . SER A 1 324 ? 22.306 36.087 -3.091 1.00 68.71 ? 352 SER A C 1 ATOM 2253 O O . SER A 1 324 ? 21.629 36.636 -2.221 1.00 72.08 ? 352 SER A O 1 ATOM 2254 C CB . SER A 1 324 ? 22.777 33.873 -2.044 1.00 81.61 ? 352 SER A CB 1 ATOM 2255 O OG . SER A 1 324 ? 24.151 34.174 -1.935 1.00 90.94 ? 352 SER A OG 1 ATOM 2256 N N . ILE A 1 325 ? 23.110 36.791 -3.903 1.00 58.37 ? 353 ILE A N 1 ATOM 2257 C CA . ILE A 1 325 ? 23.171 38.254 -3.745 1.00 68.03 ? 353 ILE A CA 1 ATOM 2258 C C . ILE A 1 325 ? 21.872 38.886 -4.263 1.00 67.22 ? 353 ILE A C 1 ATOM 2259 O O . ILE A 1 325 ? 21.104 38.277 -5.011 1.00 73.95 ? 353 ILE A O 1 ATOM 2260 C CB . ILE A 1 325 ? 24.396 38.867 -4.445 1.00 70.53 ? 353 ILE A CB 1 ATOM 2261 C CG1 . ILE A 1 325 ? 24.162 38.972 -5.953 1.00 83.28 ? 353 ILE A CG1 1 ATOM 2262 C CG2 . ILE A 1 325 ? 25.651 37.998 -4.208 1.00 61.69 ? 353 ILE A CG2 1 ATOM 2263 C CD1 . ILE A 1 325 ? 25.185 39.870 -6.654 1.00 78.94 ? 353 ILE A CD1 1 ATOM 2264 N N . ALA A 1 326 ? 21.616 40.129 -3.844 1.00 60.62 ? 354 ALA A N 1 ATOM 2265 C CA . ALA A 1 326 ? 20.344 40.794 -4.121 1.00 62.65 ? 354 ALA A CA 1 ATOM 2266 C C . ALA A 1 326 ? 20.548 41.809 -5.225 1.00 68.14 ? 354 ALA A C 1 ATOM 2267 O O . ALA A 1 326 ? 21.168 42.850 -5.008 1.00 86.90 ? 354 ALA A O 1 ATOM 2268 C CB . ALA A 1 326 ? 19.767 41.484 -2.881 1.00 57.92 ? 354 ALA A CB 1 ATOM 2269 N N . LEU A 1 327 ? 19.977 41.537 -6.382 1.00 60.96 ? 355 LEU A N 1 ATOM 2270 C CA . LEU A 1 327 ? 20.104 42.404 -7.535 1.00 53.09 ? 355 LEU A CA 1 ATOM 2271 C C . LEU A 1 327 ? 18.736 42.834 -8.036 1.00 54.68 ? 355 LEU A C 1 ATOM 2272 O O . LEU A 1 327 ? 17.710 42.241 -7.680 1.00 57.19 ? 355 LEU A O 1 ATOM 2273 C CB . LEU A 1 327 ? 20.865 41.679 -8.653 1.00 54.40 ? 355 LEU A CB 1 ATOM 2274 C CG . LEU A 1 327 ? 22.306 41.354 -8.260 1.00 50.68 ? 355 LEU A CG 1 ATOM 2275 C CD1 . LEU A 1 327 ? 23.052 40.664 -9.376 1.00 58.80 ? 355 LEU A CD1 1 ATOM 2276 C CD2 . LEU A 1 327 ? 23.014 42.605 -7.849 1.00 44.25 ? 355 LEU A CD2 1 ATOM 2277 N N . PRO A 1 328 ? 18.687 43.880 -8.824 1.00 48.44 ? 356 PRO A N 1 ATOM 2278 C CA . PRO A 1 328 ? 17.503 44.151 -9.664 1.00 42.97 ? 356 PRO A CA 1 ATOM 2279 C C . PRO A 1 328 ? 17.367 43.046 -10.703 1.00 49.11 ? 356 PRO A C 1 ATOM 2280 O O . PRO A 1 328 ? 18.189 42.116 -10.680 1.00 45.84 ? 356 PRO A O 1 ATOM 2281 C CB . PRO A 1 328 ? 17.821 45.503 -10.311 1.00 35.00 ? 356 PRO A CB 1 ATOM 2282 C CG . PRO A 1 328 ? 18.839 46.122 -9.393 1.00 48.42 ? 356 PRO A CG 1 ATOM 2283 C CD . PRO A 1 328 ? 19.665 44.973 -8.838 1.00 38.71 ? 356 PRO A CD 1 ATOM 2284 N N . TYR A 1 329 ? 16.393 43.105 -11.623 1.00 45.91 ? 357 TYR A N 1 ATOM 2285 C CA . TYR A 1 329 ? 16.237 41.900 -12.448 1.00 46.74 ? 357 TYR A CA 1 ATOM 2286 C C . TYR A 1 329 ? 15.224 42.157 -13.554 1.00 55.56 ? 357 TYR A C 1 ATOM 2287 O O . TYR A 1 329 ? 14.417 43.091 -13.474 1.00 71.36 ? 357 TYR A O 1 ATOM 2288 C CB . TYR A 1 329 ? 15.804 40.707 -11.594 1.00 43.17 ? 357 TYR A CB 1 ATOM 2289 C CG . TYR A 1 329 ? 14.397 40.868 -11.033 1.00 54.18 ? 357 TYR A CG 1 ATOM 2290 C CD1 . TYR A 1 329 ? 13.320 40.258 -11.649 1.00 52.85 ? 357 TYR A CD1 1 ATOM 2291 C CD2 . TYR A 1 329 ? 14.145 41.688 -9.921 1.00 54.96 ? 357 TYR A CD2 1 ATOM 2292 C CE1 . TYR A 1 329 ? 12.033 40.433 -11.170 1.00 67.99 ? 357 TYR A CE1 1 ATOM 2293 C CE2 . TYR A 1 329 ? 12.867 41.864 -9.431 1.00 44.66 ? 357 TYR A CE2 1 ATOM 2294 C CZ . TYR A 1 329 ? 11.815 41.243 -10.057 1.00 64.17 ? 357 TYR A CZ 1 ATOM 2295 O OH . TYR A 1 329 ? 10.535 41.418 -9.581 1.00 58.78 ? 357 TYR A OH 1 ATOM 2296 N N . VAL A 1 330 ? 15.266 41.297 -14.582 1.00 53.98 ? 358 VAL A N 1 ATOM 2297 C CA . VAL A 1 330 ? 14.535 41.513 -15.829 1.00 50.02 ? 358 VAL A CA 1 ATOM 2298 C C . VAL A 1 330 ? 13.601 40.336 -16.079 1.00 58.93 ? 358 VAL A C 1 ATOM 2299 O O . VAL A 1 330 ? 13.999 39.174 -15.933 1.00 62.64 ? 358 VAL A O 1 ATOM 2300 C CB . VAL A 1 330 ? 15.482 41.706 -17.042 1.00 44.47 ? 358 VAL A CB 1 ATOM 2301 C CG1 . VAL A 1 330 ? 14.680 41.941 -18.314 1.00 39.44 ? 358 VAL A CG1 1 ATOM 2302 C CG2 . VAL A 1 330 ? 16.457 42.878 -16.824 1.00 42.96 ? 358 VAL A CG2 1 ATOM 2303 N N . CYS A 1 331 ? 12.360 40.641 -16.475 1.00 50.24 ? 359 CYS A N 1 ATOM 2304 C CA . CYS A 1 331 ? 11.361 39.640 -16.820 1.00 51.66 ? 359 CYS A CA 1 ATOM 2305 C C . CYS A 1 331 ? 10.945 39.839 -18.270 1.00 56.71 ? 359 CYS A C 1 ATOM 2306 O O . CYS A 1 331 ? 11.088 40.933 -18.832 1.00 61.24 ? 359 CYS A O 1 ATOM 2307 C CB . CYS A 1 331 ? 10.105 39.750 -15.940 1.00 58.98 ? 359 CYS A CB 1 ATOM 2308 S SG . CYS A 1 331 ? 10.351 39.703 -14.158 1.00 76.15 ? 359 CYS A SG 1 ATOM 2309 N N . LYS A 1 332 ? 10.408 38.772 -18.871 1.00 54.84 ? 360 LYS A N 1 ATOM 2310 C CA . LYS A 1 332 ? 9.966 38.800 -20.254 1.00 43.75 ? 360 LYS A CA 1 ATOM 2311 C C . LYS A 1 332 ? 8.748 37.922 -20.404 1.00 58.90 ? 360 LYS A C 1 ATOM 2312 O O . LYS A 1 332 ? 8.534 36.976 -19.632 1.00 57.17 ? 360 LYS A O 1 ATOM 2313 C CB . LYS A 1 332 ? 11.023 38.293 -21.241 1.00 60.74 ? 360 LYS A CB 1 ATOM 2314 N N . LYS A 1 333 ? 7.957 38.241 -21.415 1.00 51.03 ? 361 LYS A N 1 ATOM 2315 C CA . LYS A 1 333 ? 7.006 37.251 -21.894 1.00 71.86 ? 361 LYS A CA 1 ATOM 2316 C C . LYS A 1 333 ? 6.643 37.576 -23.336 1.00 78.74 ? 361 LYS A C 1 ATOM 2317 O O . LYS A 1 333 ? 6.882 38.691 -23.818 1.00 74.07 ? 361 LYS A O 1 ATOM 2318 C CB . LYS A 1 333 ? 5.790 37.174 -20.964 1.00 82.87 ? 361 LYS A CB 1 ATOM 2319 C CG . LYS A 1 333 ? 5.033 38.470 -20.689 1.00 83.73 ? 361 LYS A CG 1 ATOM 2320 C CD . LYS A 1 333 ? 3.931 38.123 -19.693 1.00 94.98 ? 361 LYS A CD 1 ATOM 2321 C CE . LYS A 1 333 ? 2.936 39.230 -19.498 1.00 103.66 ? 361 LYS A CE 1 ATOM 2322 N NZ . LYS A 1 333 ? 3.587 40.398 -18.918 1.00 110.26 ? 361 LYS A NZ 1 ATOM 2323 N N . LYS A 1 334 ? 6.146 36.558 -24.039 1.00 86.09 ? 362 LYS A N 1 ATOM 2324 C CA . LYS A 1 334 ? 5.550 36.699 -25.372 1.00 103.35 ? 362 LYS A CA 1 ATOM 2325 C C . LYS A 1 334 ? 4.172 36.060 -25.374 1.00 116.68 ? 362 LYS A C 1 ATOM 2326 O O . LYS A 1 334 ? 4.033 34.861 -25.654 1.00 116.38 ? 362 LYS A O 1 ATOM 2327 C CB . LYS A 1 334 ? 6.395 36.054 -26.465 1.00 106.22 ? 362 LYS A CB 1 ATOM 2328 C CG . LYS A 1 334 ? 7.548 36.859 -26.963 1.00 109.70 ? 362 LYS A CG 1 ATOM 2329 C CD . LYS A 1 334 ? 8.203 36.107 -28.103 1.00 118.28 ? 362 LYS A CD 1 ATOM 2330 C CE . LYS A 1 334 ? 7.201 35.896 -29.240 1.00 128.53 ? 362 LYS A CE 1 ATOM 2331 N NZ . LYS A 1 334 ? 6.734 37.163 -29.875 1.00 131.58 ? 362 LYS A NZ 1 ATOM 2332 N N . PRO A 1 335 ? 3.124 36.831 -25.070 1.00 128.26 ? 363 PRO A N 1 ATOM 2333 C CA . PRO A 1 335 ? 1.744 36.339 -25.138 1.00 134.35 ? 363 PRO A CA 1 ATOM 2334 C C . PRO A 1 335 ? 1.323 35.976 -26.563 1.00 126.12 ? 363 PRO A C 1 ATOM 2335 O O . PRO A 1 335 ? 1.810 36.606 -27.504 1.00 117.69 ? 363 PRO A O 1 ATOM 2336 C CB . PRO A 1 335 ? 0.931 37.525 -24.614 1.00 138.39 ? 363 PRO A CB 1 ATOM 2337 C CG . PRO A 1 335 ? 1.902 38.298 -23.756 1.00 133.39 ? 363 PRO A CG 1 ATOM 2338 C CD . PRO A 1 335 ? 3.199 38.184 -24.493 1.00 129.15 ? 363 PRO A CD 1 ATOM 2339 N N . VAL A 1 352 ? 7.155 9.522 -47.248 1.00 121.53 ? 380 VAL A N 1 ATOM 2340 C CA . VAL A 1 352 ? 7.973 9.211 -48.413 1.00 120.92 ? 380 VAL A CA 1 ATOM 2341 C C . VAL A 1 352 ? 9.316 8.648 -47.910 1.00 139.28 ? 380 VAL A C 1 ATOM 2342 O O . VAL A 1 352 ? 10.361 9.301 -48.018 1.00 143.60 ? 380 VAL A O 1 ATOM 2343 C CB . VAL A 1 352 ? 8.147 10.470 -49.325 1.00 106.56 ? 380 VAL A CB 1 ATOM 2344 C CG1 . VAL A 1 352 ? 8.958 10.152 -50.592 1.00 98.01 ? 380 VAL A CG1 1 ATOM 2345 C CG2 . VAL A 1 352 ? 6.789 11.072 -49.680 1.00 104.19 ? 380 VAL A CG2 1 ATOM 2346 N N . GLU A 1 353 ? 9.282 7.438 -47.344 1.00 145.32 ? 381 GLU A N 1 ATOM 2347 C CA . GLU A 1 353 ? 10.479 6.873 -46.728 1.00 152.49 ? 381 GLU A CA 1 ATOM 2348 C C . GLU A 1 353 ? 11.501 6.438 -47.779 1.00 161.99 ? 381 GLU A C 1 ATOM 2349 O O . GLU A 1 353 ? 11.200 6.271 -48.963 1.00 163.75 ? 381 GLU A O 1 ATOM 2350 C CB . GLU A 1 353 ? 10.147 5.723 -45.772 1.00 146.73 ? 381 GLU A CB 1 ATOM 2351 C CG . GLU A 1 353 ? 9.535 6.216 -44.457 1.00 141.78 ? 381 GLU A CG 1 ATOM 2352 C CD . GLU A 1 353 ? 9.463 5.146 -43.378 1.00 136.38 ? 381 GLU A CD 1 ATOM 2353 O OE1 . GLU A 1 353 ? 9.719 3.959 -43.681 1.00 134.52 ? 381 GLU A OE1 1 ATOM 2354 O OE2 . GLU A 1 353 ? 9.172 5.506 -42.214 1.00 132.18 ? 381 GLU A OE2 1 ATOM 2355 N N . CYS A 1 354 ? 12.724 6.240 -47.302 1.00 167.60 ? 382 CYS A N 1 ATOM 2356 C CA . CYS A 1 354 ? 13.942 6.672 -47.965 1.00 173.54 ? 382 CYS A CA 1 ATOM 2357 C C . CYS A 1 354 ? 14.737 5.555 -48.619 1.00 150.53 ? 382 CYS A C 1 ATOM 2358 O O . CYS A 1 354 ? 14.414 4.364 -48.563 1.00 157.85 ? 382 CYS A O 1 ATOM 2359 C CB . CYS A 1 354 ? 14.868 7.395 -47.001 1.00 199.90 ? 382 CYS A CB 1 ATOM 2360 S SG . CYS A 1 354 ? 14.708 9.151 -47.092 1.00 218.04 ? 382 CYS A SG 1 ATOM 2361 N N . GLU A 1 355 ? 15.818 6.017 -49.233 1.00 170.41 ? 383 GLU A N 1 ATOM 2362 C CA . GLU A 1 355 ? 16.792 5.230 -49.936 1.00 134.33 ? 383 GLU A CA 1 ATOM 2363 C C . GLU A 1 355 ? 17.508 4.253 -49.005 1.00 118.06 ? 383 GLU A C 1 ATOM 2364 O O . GLU A 1 355 ? 17.516 4.429 -47.787 1.00 120.35 ? 383 GLU A O 1 ATOM 2365 C CB . GLU A 1 355 ? 17.841 6.220 -50.441 1.00 117.44 ? 383 GLU A CB 1 ATOM 2366 C CG . GLU A 1 355 ? 19.002 5.747 -51.258 1.00 125.96 ? 383 GLU A CG 1 ATOM 2367 C CD . GLU A 1 355 ? 19.732 6.932 -51.862 1.00 135.00 ? 383 GLU A CD 1 ATOM 2368 O OE1 . GLU A 1 355 ? 19.186 8.063 -51.797 1.00 130.17 ? 383 GLU A OE1 1 ATOM 2369 O OE2 . GLU A 1 355 ? 20.857 6.741 -52.376 1.00 147.34 ? 383 GLU A OE2 1 ATOM 2370 N N . PRO A 1 356 ? 18.035 3.163 -49.556 1.00 117.58 ? 384 PRO A N 1 ATOM 2371 C CA . PRO A 1 356 ? 18.837 2.230 -48.753 1.00 119.45 ? 384 PRO A CA 1 ATOM 2372 C C . PRO A 1 356 ? 20.044 2.937 -48.148 1.00 125.76 ? 384 PRO A C 1 ATOM 2373 O O . PRO A 1 356 ? 20.613 3.847 -48.756 1.00 124.08 ? 384 PRO A O 1 ATOM 2374 C CB . PRO A 1 356 ? 19.238 1.148 -49.756 1.00 118.69 ? 384 PRO A CB 1 ATOM 2375 C CG . PRO A 1 356 ? 18.111 1.160 -50.740 1.00 119.36 ? 384 PRO A CG 1 ATOM 2376 C CD . PRO A 1 356 ? 17.657 2.586 -50.857 1.00 117.04 ? 384 PRO A CD 1 ATOM 2377 N N . SER A 1 357 ? 20.432 2.516 -46.943 1.00 129.13 ? 385 SER A N 1 ATOM 2378 C CA . SER A 1 357 ? 21.559 3.019 -46.125 1.00 142.72 ? 385 SER A CA 1 ATOM 2379 C C . SER A 1 357 ? 21.166 4.261 -45.331 1.00 127.60 ? 385 SER A C 1 ATOM 2380 O O . SER A 1 357 ? 21.994 4.788 -44.584 1.00 113.87 ? 385 SER A O 1 ATOM 2381 C CB . SER A 1 357 ? 22.850 3.342 -46.907 1.00 148.47 ? 385 SER A CB 1 ATOM 2382 O OG . SER A 1 357 ? 22.628 4.202 -48.015 1.00 153.86 ? 385 SER A OG 1 ATOM 2383 N N . TRP A 1 358 ? 19.946 4.756 -45.484 1.00 134.12 ? 386 TRP A N 1 ATOM 2384 C CA . TRP A 1 358 ? 19.410 5.819 -44.656 1.00 134.24 ? 386 TRP A CA 1 ATOM 2385 C C . TRP A 1 358 ? 18.298 5.232 -43.801 1.00 140.65 ? 386 TRP A C 1 ATOM 2386 O O . TRP A 1 358 ? 17.629 4.275 -44.200 1.00 140.94 ? 386 TRP A O 1 ATOM 2387 C CB . TRP A 1 358 ? 18.841 6.972 -45.482 1.00 129.56 ? 386 TRP A CB 1 ATOM 2388 C CG . TRP A 1 358 ? 19.776 7.627 -46.441 1.00 122.45 ? 386 TRP A CG 1 ATOM 2389 C CD1 . TRP A 1 358 ? 20.292 7.093 -47.579 1.00 117.67 ? 386 TRP A CD1 1 ATOM 2390 C CD2 . TRP A 1 358 ? 20.283 8.964 -46.358 1.00 119.10 ? 386 TRP A CD2 1 ATOM 2391 N NE1 . TRP A 1 358 ? 21.095 8.011 -48.212 1.00 117.14 ? 386 TRP A NE1 1 ATOM 2392 C CE2 . TRP A 1 358 ? 21.101 9.171 -47.485 1.00 117.83 ? 386 TRP A CE2 1 ATOM 2393 C CE3 . TRP A 1 358 ? 20.122 10.006 -45.440 1.00 112.18 ? 386 TRP A CE3 1 ATOM 2394 C CZ2 . TRP A 1 358 ? 21.772 10.375 -47.711 1.00 118.39 ? 386 TRP A CZ2 1 ATOM 2395 C CZ3 . TRP A 1 358 ? 20.786 11.202 -45.667 1.00 113.30 ? 386 TRP A CZ3 1 ATOM 2396 C CH2 . TRP A 1 358 ? 21.600 11.377 -46.793 1.00 113.66 ? 386 TRP A CH2 1 ATOM 2397 N N . GLN A 1 359 ? 18.105 5.807 -42.622 1.00 143.38 ? 387 GLN A N 1 ATOM 2398 C CA . GLN A 1 359 ? 17.112 5.282 -41.714 1.00 141.53 ? 387 GLN A CA 1 ATOM 2399 C C . GLN A 1 359 ? 16.076 6.361 -41.407 1.00 145.83 ? 387 GLN A C 1 ATOM 2400 O O . GLN A 1 359 ? 16.417 7.550 -41.364 1.00 143.26 ? 387 GLN A O 1 ATOM 2401 C CB . GLN A 1 359 ? 17.794 4.833 -40.405 1.00 136.90 ? 387 GLN A CB 1 ATOM 2402 C CG . GLN A 1 359 ? 18.986 3.888 -40.588 1.00 137.00 ? 387 GLN A CG 1 ATOM 2403 C CD . GLN A 1 359 ? 19.537 3.356 -39.264 1.00 144.60 ? 387 GLN A CD 1 ATOM 2404 O OE1 . GLN A 1 359 ? 18.787 3.107 -38.318 1.00 152.28 ? 387 GLN A OE1 1 ATOM 2405 N NE2 . GLN A 1 359 ? 20.860 3.200 -39.189 1.00 141.43 ? 387 GLN A NE2 1 ATOM 2406 N N . PRO A 1 360 ? 14.798 5.994 -41.285 1.00 147.58 ? 388 PRO A N 1 ATOM 2407 C CA . PRO A 1 360 ? 13.748 6.990 -41.020 1.00 150.34 ? 388 PRO A CA 1 ATOM 2408 C C . PRO A 1 360 ? 13.719 7.422 -39.557 1.00 155.98 ? 388 PRO A C 1 ATOM 2409 O O . PRO A 1 360 ? 13.888 6.604 -38.648 1.00 160.19 ? 388 PRO A O 1 ATOM 2410 C CB . PRO A 1 360 ? 12.452 6.261 -41.411 1.00 142.93 ? 388 PRO A CB 1 ATOM 2411 C CG . PRO A 1 360 ? 12.885 4.980 -42.056 1.00 144.97 ? 388 PRO A CG 1 ATOM 2412 C CD . PRO A 1 360 ? 14.228 4.659 -41.493 1.00 145.26 ? 388 PRO A CD 1 ATOM 2413 N N . PHE A 1 361 ? 13.510 8.723 -39.333 1.00 153.37 ? 389 PHE A N 1 ATOM 2414 C CA . PHE A 1 361 ? 12.968 9.223 -38.070 1.00 149.91 ? 389 PHE A CA 1 ATOM 2415 C C . PHE A 1 361 ? 12.067 10.418 -38.343 1.00 143.52 ? 389 PHE A C 1 ATOM 2416 O O . PHE A 1 361 ? 12.503 11.397 -38.954 1.00 151.30 ? 389 PHE A O 1 ATOM 2417 C CB . PHE A 1 361 ? 14.078 9.621 -37.085 1.00 153.31 ? 389 PHE A CB 1 ATOM 2418 C CG . PHE A 1 361 ? 13.574 10.003 -35.713 1.00 158.23 ? 389 PHE A CG 1 ATOM 2419 C CD1 . PHE A 1 361 ? 13.322 9.039 -34.755 1.00 159.61 ? 389 PHE A CD1 1 ATOM 2420 C CD2 . PHE A 1 361 ? 13.355 11.335 -35.384 1.00 163.01 ? 389 PHE A CD2 1 ATOM 2421 C CE1 . PHE A 1 361 ? 12.866 9.395 -33.491 1.00 160.57 ? 389 PHE A CE1 1 ATOM 2422 C CE2 . PHE A 1 361 ? 12.897 11.695 -34.124 1.00 161.76 ? 389 PHE A CE2 1 ATOM 2423 C CZ . PHE A 1 361 ? 12.652 10.724 -33.179 1.00 159.86 ? 389 PHE A CZ 1 ATOM 2424 N N . GLN A 1 362 ? 10.838 10.345 -37.842 1.00 131.21 ? 390 GLN A N 1 ATOM 2425 C CA . GLN A 1 362 ? 9.872 11.448 -37.813 1.00 119.91 ? 390 GLN A CA 1 ATOM 2426 C C . GLN A 1 362 ? 9.843 12.271 -39.109 1.00 114.60 ? 390 GLN A C 1 ATOM 2427 O O . GLN A 1 362 ? 10.148 13.461 -39.133 1.00 121.60 ? 390 GLN A O 1 ATOM 2428 C CB . GLN A 1 362 ? 10.134 12.349 -36.604 1.00 109.64 ? 390 GLN A CB 1 ATOM 2429 N N . GLY A 1 363 ? 9.465 11.609 -40.202 1.00 114.05 ? 391 GLY A N 1 ATOM 2430 C CA . GLY A 1 363 ? 9.355 12.281 -41.490 1.00 116.50 ? 391 GLY A CA 1 ATOM 2431 C C . GLY A 1 363 ? 10.640 12.766 -42.113 1.00 121.56 ? 391 GLY A C 1 ATOM 2432 O O . GLY A 1 363 ? 10.593 13.487 -43.116 1.00 110.42 ? 391 GLY A O 1 ATOM 2433 N N . HIS A 1 364 ? 11.781 12.394 -41.551 1.00 104.05 ? 392 HIS A N 1 ATOM 2434 C CA . HIS A 1 364 ? 13.097 12.721 -42.069 1.00 110.74 ? 392 HIS A CA 1 ATOM 2435 C C . HIS A 1 364 ? 13.918 11.455 -42.207 1.00 115.72 ? 392 HIS A C 1 ATOM 2436 O O . HIS A 1 364 ? 13.560 10.404 -41.673 1.00 116.63 ? 392 HIS A O 1 ATOM 2437 C CB . HIS A 1 364 ? 13.788 13.750 -41.181 1.00 107.53 ? 392 HIS A CB 1 ATOM 2438 C CG . HIS A 1 364 ? 13.341 15.145 -41.464 1.00 107.65 ? 392 HIS A CG 1 ATOM 2439 N ND1 . HIS A 1 364 ? 13.679 15.807 -42.625 1.00 107.11 ? 392 HIS A ND1 1 ATOM 2440 C CD2 . HIS A 1 364 ? 12.536 15.982 -40.771 1.00 104.46 ? 392 HIS A CD2 1 ATOM 2441 C CE1 . HIS A 1 364 ? 13.123 17.006 -42.621 1.00 103.66 ? 392 HIS A CE1 1 ATOM 2442 N NE2 . HIS A 1 364 ? 12.422 17.136 -41.509 1.00 103.35 ? 392 HIS A NE2 1 ATOM 2443 N N . CYS A 1 365 ? 15.037 11.562 -42.926 1.00 118.38 ? 393 CYS A N 1 ATOM 2444 C CA . CYS A 1 365 ? 15.929 10.428 -43.092 1.00 121.84 ? 393 CYS A CA 1 ATOM 2445 C C . CYS A 1 365 ? 17.342 10.803 -42.670 1.00 113.69 ? 393 CYS A C 1 ATOM 2446 O O . CYS A 1 365 ? 17.774 11.948 -42.844 1.00 111.88 ? 393 CYS A O 1 ATOM 2447 C CB . CYS A 1 365 ? 15.943 10.031 -44.548 1.00 137.50 ? 393 CYS A CB 1 ATOM 2448 S SG . CYS A 1 365 ? 14.326 9.536 -45.146 1.00 147.15 ? 393 CYS A SG 1 ATOM 2449 N N . TYR A 1 366 ? 18.080 9.814 -42.153 1.00 102.42 ? 394 TYR A N 1 ATOM 2450 C CA . TYR A 1 366 ? 19.346 10.075 -41.485 1.00 99.47 ? 394 TYR A CA 1 ATOM 2451 C C . TYR A 1 366 ? 20.356 9.028 -41.917 1.00 104.09 ? 394 TYR A C 1 ATOM 2452 O O . TYR A 1 366 ? 20.000 7.873 -42.148 1.00 120.97 ? 394 TYR A O 1 ATOM 2453 C CB . TYR A 1 366 ? 19.184 10.043 -39.955 1.00 108.16 ? 394 TYR A CB 1 ATOM 2454 N N . ARG A 1 367 ? 21.628 9.412 -41.986 1.00 93.30 ? 395 ARG A N 1 ATOM 2455 C CA . ARG A 1 367 ? 22.629 8.370 -42.149 1.00 97.30 ? 395 ARG A CA 1 ATOM 2456 C C . ARG A 1 367 ? 23.983 8.833 -41.651 1.00 85.16 ? 395 ARG A C 1 ATOM 2457 O O . ARG A 1 367 ? 24.297 10.030 -41.653 1.00 92.02 ? 395 ARG A O 1 ATOM 2458 C CB . ARG A 1 367 ? 22.752 7.931 -43.605 1.00 121.18 ? 395 ARG A CB 1 ATOM 2459 C CG . ARG A 1 367 ? 23.455 8.929 -44.500 1.00 124.76 ? 395 ARG A CG 1 ATOM 2460 C CD . ARG A 1 367 ? 23.698 8.299 -45.851 1.00 118.86 ? 395 ARG A CD 1 ATOM 2461 N NE . ARG A 1 367 ? 24.741 7.291 -45.866 1.00 108.54 ? 395 ARG A NE 1 ATOM 2462 C CZ . ARG A 1 367 ? 24.929 6.476 -46.893 1.00 126.15 ? 395 ARG A CZ 1 ATOM 2463 N NH1 . ARG A 1 367 ? 24.131 6.559 -47.950 1.00 128.56 ? 395 ARG A NH1 1 ATOM 2464 N NH2 . ARG A 1 367 ? 25.898 5.574 -46.866 1.00 141.68 ? 395 ARG A NH2 1 ATOM 2465 N N . LEU A 1 368 ? 24.810 7.856 -41.300 1.00 76.68 ? 396 LEU A N 1 ATOM 2466 C CA . LEU A 1 368 ? 26.169 8.155 -40.890 1.00 86.97 ? 396 LEU A CA 1 ATOM 2467 C C . LEU A 1 368 ? 27.039 8.233 -42.136 1.00 100.41 ? 396 LEU A C 1 ATOM 2468 O O . LEU A 1 368 ? 26.944 7.403 -43.042 1.00 120.38 ? 396 LEU A O 1 ATOM 2469 C CB . LEU A 1 368 ? 26.743 7.076 -39.968 1.00 90.13 ? 396 LEU A CB 1 ATOM 2470 C CG . LEU A 1 368 ? 28.279 7.224 -39.878 1.00 86.43 ? 396 LEU A CG 1 ATOM 2471 C CD1 . LEU A 1 368 ? 28.653 8.322 -38.900 1.00 80.61 ? 396 LEU A CD1 1 ATOM 2472 C CD2 . LEU A 1 368 ? 29.087 5.948 -39.642 1.00 93.61 ? 396 LEU A CD2 1 ATOM 2473 N N . GLN A 1 369 ? 27.881 9.236 -42.163 1.00 91.47 ? 397 GLN A N 1 ATOM 2474 C CA . GLN A 1 369 ? 28.991 9.379 -43.084 1.00 84.17 ? 397 GLN A CA 1 ATOM 2475 C C . GLN A 1 369 ? 30.301 9.124 -42.336 1.00 81.77 ? 397 GLN A C 1 ATOM 2476 O O . GLN A 1 369 ? 30.778 9.978 -41.574 1.00 91.18 ? 397 GLN A O 1 ATOM 2477 C CB . GLN A 1 369 ? 28.873 10.778 -43.670 1.00 93.19 ? 397 GLN A CB 1 ATOM 2478 C CG . GLN A 1 369 ? 29.995 11.360 -44.425 1.00 110.60 ? 397 GLN A CG 1 ATOM 2479 C CD . GLN A 1 369 ? 29.575 12.708 -44.967 1.00 124.14 ? 397 GLN A CD 1 ATOM 2480 O OE1 . GLN A 1 369 ? 28.378 12.972 -45.143 1.00 118.43 ? 397 GLN A OE1 1 ATOM 2481 N NE2 . GLN A 1 369 ? 30.537 13.612 -45.109 1.00 137.26 ? 397 GLN A NE2 1 ATOM 2482 N N . ALA A 1 370 ? 30.897 7.959 -42.581 1.00 76.68 ? 398 ALA A N 1 ATOM 2483 C CA . ALA A 1 370 ? 32.007 7.480 -41.776 1.00 73.62 ? 398 ALA A CA 1 ATOM 2484 C C . ALA A 1 370 ? 33.337 8.089 -42.173 1.00 82.53 ? 398 ALA A C 1 ATOM 2485 O O . ALA A 1 370 ? 34.315 7.938 -41.434 1.00 92.13 ? 398 ALA A O 1 ATOM 2486 C CB . ALA A 1 370 ? 32.098 5.967 -41.884 1.00 76.18 ? 398 ALA A CB 1 ATOM 2487 N N . GLU A 1 371 ? 33.395 8.777 -43.303 1.00 78.63 ? 399 GLU A N 1 ATOM 2488 C CA . GLU A 1 371 ? 34.664 9.225 -43.849 1.00 78.01 ? 399 GLU A CA 1 ATOM 2489 C C . GLU A 1 371 ? 35.074 10.488 -43.098 1.00 80.64 ? 399 GLU A C 1 ATOM 2490 O O . GLU A 1 371 ? 34.343 11.484 -43.104 1.00 96.07 ? 399 GLU A O 1 ATOM 2491 C CB . GLU A 1 371 ? 34.504 9.517 -45.336 1.00 91.64 ? 399 GLU A CB 1 ATOM 2492 C CG . GLU A 1 371 ? 33.500 8.604 -46.071 1.00 110.01 ? 399 GLU A CG 1 ATOM 2493 C CD . GLU A 1 371 ? 33.774 7.115 -45.980 1.00 123.13 ? 399 GLU A CD 1 ATOM 2494 O OE1 . GLU A 1 371 ? 34.936 6.687 -46.155 1.00 127.20 ? 399 GLU A OE1 1 ATOM 2495 O OE2 . GLU A 1 371 ? 32.801 6.369 -45.730 1.00 129.89 ? 399 GLU A OE2 1 ATOM 2496 N N . LYS A 1 372 ? 36.225 10.453 -42.447 1.00 76.96 ? 400 LYS A N 1 ATOM 2497 C CA . LYS A 1 372 ? 36.677 11.592 -41.658 1.00 75.32 ? 400 LYS A CA 1 ATOM 2498 C C . LYS A 1 372 ? 37.058 12.760 -42.576 1.00 79.38 ? 400 LYS A C 1 ATOM 2499 O O . LYS A 1 372 ? 37.972 12.648 -43.398 1.00 84.01 ? 400 LYS A O 1 ATOM 2500 C CB . LYS A 1 372 ? 37.872 11.180 -40.798 1.00 83.83 ? 400 LYS A CB 1 ATOM 2501 C CG . LYS A 1 372 ? 37.609 10.036 -39.807 1.00 99.03 ? 400 LYS A CG 1 ATOM 2502 C CD . LYS A 1 372 ? 38.922 9.583 -39.154 1.00 109.56 ? 400 LYS A CD 1 ATOM 2503 C CE . LYS A 1 372 ? 38.722 8.437 -38.166 1.00 115.38 ? 400 LYS A CE 1 ATOM 2504 N NZ . LYS A 1 372 ? 40.028 7.897 -37.665 1.00 112.71 ? 400 LYS A NZ 1 ATOM 2505 N N . ARG A 1 373 ? 36.405 13.902 -42.388 1.00 77.46 ? 401 ARG A N 1 ATOM 2506 C CA . ARG A 1 373 ? 36.593 15.074 -43.229 1.00 71.53 ? 401 ARG A CA 1 ATOM 2507 C C . ARG A 1 373 ? 36.374 16.330 -42.405 1.00 70.01 ? 401 ARG A C 1 ATOM 2508 O O . ARG A 1 373 ? 35.712 16.313 -41.360 1.00 76.59 ? 401 ARG A O 1 ATOM 2509 C CB . ARG A 1 373 ? 35.615 15.094 -44.414 1.00 80.54 ? 401 ARG A CB 1 ATOM 2510 C CG . ARG A 1 373 ? 35.992 14.294 -45.634 1.00 95.11 ? 401 ARG A CG 1 ATOM 2511 C CD . ARG A 1 373 ? 34.924 14.532 -46.697 1.00 98.52 ? 401 ARG A CD 1 ATOM 2512 N NE . ARG A 1 373 ? 33.709 13.779 -46.401 1.00 92.38 ? 401 ARG A NE 1 ATOM 2513 C CZ . ARG A 1 373 ? 33.392 12.635 -47.002 1.00 92.13 ? 401 ARG A CZ 1 ATOM 2514 N NH1 . ARG A 1 373 ? 34.155 12.161 -47.979 1.00 87.06 ? 401 ARG A NH1 1 ATOM 2515 N NH2 . ARG A 1 373 ? 32.288 11.986 -46.669 1.00 97.06 ? 401 ARG A NH2 1 ATOM 2516 N N . SER A 1 374 ? 36.851 17.446 -42.944 1.00 54.85 ? 402 SER A N 1 ATOM 2517 C CA . SER A 1 374 ? 36.587 18.708 -42.291 1.00 44.96 ? 402 SER A CA 1 ATOM 2518 C C . SER A 1 374 ? 35.077 18.938 -42.249 1.00 64.45 ? 402 SER A C 1 ATOM 2519 O O . SER A 1 374 ? 34.309 18.296 -42.974 1.00 70.99 ? 402 SER A O 1 ATOM 2520 C CB . SER A 1 374 ? 37.275 19.846 -43.041 1.00 42.42 ? 402 SER A CB 1 ATOM 2521 O OG . SER A 1 374 ? 36.611 20.090 -44.275 1.00 57.07 ? 402 SER A OG 1 ATOM 2522 N N . TRP A 1 375 ? 34.640 19.829 -41.351 1.00 59.05 ? 403 TRP A N 1 ATOM 2523 C CA . TRP A 1 375 ? 33.214 20.137 -41.271 1.00 55.60 ? 403 TRP A CA 1 ATOM 2524 C C . TRP A 1 375 ? 32.678 20.579 -42.625 1.00 65.19 ? 403 TRP A C 1 ATOM 2525 O O . TRP A 1 375 ? 31.555 20.222 -43.015 1.00 65.21 ? 403 TRP A O 1 ATOM 2526 C CB . TRP A 1 375 ? 32.949 21.233 -40.225 1.00 51.80 ? 403 TRP A CB 1 ATOM 2527 C CG . TRP A 1 375 ? 31.486 21.532 -39.998 1.00 41.61 ? 403 TRP A CG 1 ATOM 2528 C CD1 . TRP A 1 375 ? 30.650 20.887 -39.143 1.00 56.23 ? 403 TRP A CD1 1 ATOM 2529 C CD2 . TRP A 1 375 ? 30.690 22.559 -40.636 1.00 53.20 ? 403 TRP A CD2 1 ATOM 2530 N NE1 . TRP A 1 375 ? 29.377 21.447 -39.199 1.00 55.49 ? 403 TRP A NE1 1 ATOM 2531 C CE2 . TRP A 1 375 ? 29.387 22.470 -40.113 1.00 42.84 ? 403 TRP A CE2 1 ATOM 2532 C CE3 . TRP A 1 375 ? 30.957 23.536 -41.603 1.00 56.57 ? 403 TRP A CE3 1 ATOM 2533 C CZ2 . TRP A 1 375 ? 28.360 23.314 -40.533 1.00 62.86 ? 403 TRP A CZ2 1 ATOM 2534 C CZ3 . TRP A 1 375 ? 29.941 24.363 -42.014 1.00 41.27 ? 403 TRP A CZ3 1 ATOM 2535 C CH2 . TRP A 1 375 ? 28.658 24.255 -41.481 1.00 58.48 ? 403 TRP A CH2 1 ATOM 2536 N N . GLN A 1 376 ? 33.470 21.369 -43.355 1.00 67.47 ? 404 GLN A N 1 ATOM 2537 C CA . GLN A 1 376 ? 33.006 21.911 -44.626 1.00 68.35 ? 404 GLN A CA 1 ATOM 2538 C C . GLN A 1 376 ? 32.925 20.829 -45.704 1.00 72.42 ? 404 GLN A C 1 ATOM 2539 O O . GLN A 1 376 ? 31.929 20.749 -46.445 1.00 72.71 ? 404 GLN A O 1 ATOM 2540 C CB . GLN A 1 376 ? 33.915 23.059 -45.056 1.00 55.70 ? 404 GLN A CB 1 ATOM 2541 C CG . GLN A 1 376 ? 33.774 24.326 -44.220 1.00 68.39 ? 404 GLN A CG 1 ATOM 2542 C CD . GLN A 1 376 ? 34.744 24.430 -43.030 1.00 74.99 ? 404 GLN A CD 1 ATOM 2543 O OE1 . GLN A 1 376 ? 35.551 23.532 -42.760 1.00 73.22 ? 404 GLN A OE1 1 ATOM 2544 N NE2 . GLN A 1 376 ? 34.681 25.565 -42.337 1.00 74.32 ? 404 GLN A NE2 1 ATOM 2545 N N . GLU A 1 377 ? 33.943 19.967 -45.784 1.00 58.99 ? 405 GLU A N 1 ATOM 2546 C CA . GLU A 1 377 ? 33.884 18.859 -46.734 1.00 56.83 ? 405 GLU A CA 1 ATOM 2547 C C . GLU A 1 377 ? 32.796 17.867 -46.352 1.00 68.50 ? 405 GLU A C 1 ATOM 2548 O O . GLU A 1 377 ? 32.125 17.317 -47.225 1.00 85.57 ? 405 GLU A O 1 ATOM 2549 C CB . GLU A 1 377 ? 35.246 18.167 -46.829 1.00 53.35 ? 405 GLU A CB 1 ATOM 2550 C CG . GLU A 1 377 ? 36.355 19.050 -47.458 1.00 55.76 ? 405 GLU A CG 1 ATOM 2551 C CD . GLU A 1 377 ? 36.044 19.485 -48.900 1.00 91.20 ? 405 GLU A CD 1 ATOM 2552 O OE1 . GLU A 1 377 ? 35.561 18.653 -49.709 1.00 103.69 ? 405 GLU A OE1 1 ATOM 2553 O OE2 . GLU A 1 377 ? 36.275 20.672 -49.227 1.00 104.54 ? 405 GLU A OE2 1 ATOM 2554 N N . SER A 1 378 ? 32.588 17.639 -45.054 1.00 66.80 ? 406 SER A N 1 ATOM 2555 C CA . SER A 1 378 ? 31.480 16.789 -44.634 1.00 67.14 ? 406 SER A CA 1 ATOM 2556 C C . SER A 1 378 ? 30.157 17.342 -45.144 1.00 68.99 ? 406 SER A C 1 ATOM 2557 O O . SER A 1 378 ? 29.342 16.604 -45.719 1.00 72.03 ? 406 SER A O 1 ATOM 2558 C CB . SER A 1 378 ? 31.459 16.658 -43.110 1.00 70.54 ? 406 SER A CB 1 ATOM 2559 O OG . SER A 1 378 ? 32.629 16.007 -42.636 1.00 83.99 ? 406 SER A OG 1 ATOM 2560 N N . LYS A 1 379 ? 29.933 18.650 -44.952 1.00 62.65 ? 407 LYS A N 1 ATOM 2561 C CA . LYS A 1 379 ? 28.740 19.288 -45.499 1.00 68.65 ? 407 LYS A CA 1 ATOM 2562 C C . LYS A 1 379 ? 28.618 19.046 -47.010 1.00 73.24 ? 407 LYS A C 1 ATOM 2563 O O . LYS A 1 379 ? 27.530 18.711 -47.500 1.00 69.12 ? 407 LYS A O 1 ATOM 2564 C CB . LYS A 1 379 ? 28.755 20.783 -45.169 1.00 52.92 ? 407 LYS A CB 1 ATOM 2565 C CG . LYS A 1 379 ? 27.580 21.610 -45.722 1.00 68.91 ? 407 LYS A CG 1 ATOM 2566 C CD . LYS A 1 379 ? 27.696 23.124 -45.354 1.00 77.39 ? 407 LYS A CD 1 ATOM 2567 C CE . LYS A 1 379 ? 26.735 23.977 -46.178 1.00 79.07 ? 407 LYS A CE 1 ATOM 2568 N NZ . LYS A 1 379 ? 25.301 23.569 -45.977 1.00 82.71 ? 407 LYS A NZ 1 ATOM 2569 N N . LYS A 1 380 ? 29.725 19.181 -47.763 1.00 67.28 ? 408 LYS A N 1 ATOM 2570 C CA . LYS A 1 380 ? 29.660 18.915 -49.205 1.00 59.03 ? 408 LYS A CA 1 ATOM 2571 C C . LYS A 1 380 ? 29.253 17.476 -49.513 1.00 65.77 ? 408 LYS A C 1 ATOM 2572 O O . LYS A 1 380 ? 28.438 17.237 -50.419 1.00 69.84 ? 408 LYS A O 1 ATOM 2573 C CB . LYS A 1 380 ? 30.982 19.228 -49.892 1.00 55.00 ? 408 LYS A CB 1 ATOM 2574 C CG . LYS A 1 380 ? 31.334 20.709 -50.020 1.00 61.01 ? 408 LYS A CG 1 ATOM 2575 C CD . LYS A 1 380 ? 32.705 20.847 -50.684 1.00 69.01 ? 408 LYS A CD 1 ATOM 2576 C CE . LYS A 1 380 ? 33.138 22.285 -50.859 1.00 81.35 ? 408 LYS A CE 1 ATOM 2577 N NZ . LYS A 1 380 ? 34.476 22.331 -51.529 1.00 93.64 ? 408 LYS A NZ 1 ATOM 2578 N N . ALA A 1 381 ? 29.791 16.498 -48.780 1.00 57.78 ? 409 ALA A N 1 ATOM 2579 C CA . ALA A 1 381 ? 29.358 15.123 -49.031 1.00 66.21 ? 409 ALA A CA 1 ATOM 2580 C C . ALA A 1 381 ? 27.880 14.924 -48.699 1.00 77.15 ? 409 ALA A C 1 ATOM 2581 O O . ALA A 1 381 ? 27.174 14.209 -49.417 1.00 79.81 ? 409 ALA A O 1 ATOM 2582 C CB . ALA A 1 381 ? 30.216 14.138 -48.252 1.00 60.36 ? 409 ALA A CB 1 ATOM 2583 N N . CYS A 1 382 ? 27.375 15.558 -47.637 1.00 82.24 ? 410 CYS A N 1 ATOM 2584 C CA . CYS A 1 382 ? 25.931 15.499 -47.399 1.00 84.64 ? 410 CYS A CA 1 ATOM 2585 C C . CYS A 1 382 ? 25.154 16.068 -48.570 1.00 75.19 ? 410 CYS A C 1 ATOM 2586 O O . CYS A 1 382 ? 24.202 15.444 -49.051 1.00 83.98 ? 410 CYS A O 1 ATOM 2587 C CB . CYS A 1 382 ? 25.545 16.228 -46.120 1.00 88.23 ? 410 CYS A CB 1 ATOM 2588 S SG . CYS A 1 382 ? 25.908 15.320 -44.617 1.00 95.64 ? 410 CYS A SG 1 ATOM 2589 N N . LEU A 1 383 ? 25.545 17.253 -49.046 1.00 69.25 ? 411 LEU A N 1 ATOM 2590 C CA . LEU A 1 383 ? 24.868 17.836 -50.204 1.00 76.28 ? 411 LEU A CA 1 ATOM 2591 C C . LEU A 1 383 ? 24.858 16.885 -51.401 1.00 80.70 ? 411 LEU A C 1 ATOM 2592 O O . LEU A 1 383 ? 23.853 16.798 -52.118 1.00 72.00 ? 411 LEU A O 1 ATOM 2593 C CB . LEU A 1 383 ? 25.512 19.161 -50.612 1.00 60.52 ? 411 LEU A CB 1 ATOM 2594 C CG . LEU A 1 383 ? 25.453 20.339 -49.651 1.00 65.56 ? 411 LEU A CG 1 ATOM 2595 C CD1 . LEU A 1 383 ? 26.158 21.543 -50.268 1.00 60.90 ? 411 LEU A CD1 1 ATOM 2596 C CD2 . LEU A 1 383 ? 24.010 20.668 -49.263 1.00 66.99 ? 411 LEU A CD2 1 ATOM 2597 N N . ARG A 1 384 ? 25.968 16.175 -51.650 1.00 73.72 ? 412 ARG A N 1 ATOM 2598 C CA . ARG A 1 384 ? 25.989 15.294 -52.818 1.00 72.08 ? 412 ARG A CA 1 ATOM 2599 C C . ARG A 1 384 ? 24.877 14.264 -52.746 1.00 70.25 ? 412 ARG A C 1 ATOM 2600 O O . ARG A 1 384 ? 24.399 13.802 -53.781 1.00 71.45 ? 412 ARG A O 1 ATOM 2601 C CB . ARG A 1 384 ? 27.339 14.581 -52.979 1.00 68.73 ? 412 ARG A CB 1 ATOM 2602 C CG . ARG A 1 384 ? 28.482 15.481 -53.411 1.00 69.02 ? 412 ARG A CG 1 ATOM 2603 C CD . ARG A 1 384 ? 29.683 14.678 -53.921 1.00 79.39 ? 412 ARG A CD 1 ATOM 2604 N NE . ARG A 1 384 ? 30.274 13.824 -52.891 1.00 87.43 ? 412 ARG A NE 1 ATOM 2605 C CZ . ARG A 1 384 ? 31.186 14.228 -52.016 1.00 75.08 ? 412 ARG A CZ 1 ATOM 2606 N NH1 . ARG A 1 384 ? 31.611 15.479 -52.031 1.00 75.68 ? 412 ARG A NH1 1 ATOM 2607 N NH2 . ARG A 1 384 ? 31.660 13.385 -51.115 1.00 71.13 ? 412 ARG A NH2 1 ATOM 2608 N N . GLY A 1 385 ? 24.463 13.884 -51.544 1.00 73.19 ? 413 GLY A N 1 ATOM 2609 C CA . GLY A 1 385 ? 23.290 13.054 -51.378 1.00 75.60 ? 413 GLY A CA 1 ATOM 2610 C C . GLY A 1 385 ? 22.053 13.920 -51.459 1.00 85.65 ? 413 GLY A C 1 ATOM 2611 O O . GLY A 1 385 ? 22.070 15.030 -51.993 1.00 91.17 ? 413 GLY A O 1 ATOM 2612 N N . GLY A 1 386 ? 20.976 13.432 -50.879 1.00 92.33 ? 414 GLY A N 1 ATOM 2613 C CA . GLY A 1 386 ? 19.804 14.282 -50.793 1.00 105.21 ? 414 GLY A CA 1 ATOM 2614 C C . GLY A 1 386 ? 19.705 15.172 -49.566 1.00 96.38 ? 414 GLY A C 1 ATOM 2615 O O . GLY A 1 386 ? 18.594 15.548 -49.185 1.00 91.93 ? 414 GLY A O 1 ATOM 2616 N N . GLY A 1 387 ? 20.821 15.575 -48.964 1.00 88.54 ? 415 GLY A N 1 ATOM 2617 C CA . GLY A 1 387 ? 20.703 16.201 -47.652 1.00 85.69 ? 415 GLY A CA 1 ATOM 2618 C C . GLY A 1 387 ? 21.710 17.257 -47.251 1.00 77.38 ? 415 GLY A C 1 ATOM 2619 O O . GLY A 1 387 ? 22.417 17.818 -48.093 1.00 81.54 ? 415 GLY A O 1 ATOM 2620 N N . ASP A 1 388 ? 21.649 17.661 -45.988 1.00 75.26 ? 416 ASP A N 1 ATOM 2621 C CA . ASP A 1 388 ? 22.596 18.606 -45.410 1.00 69.19 ? 416 ASP A CA 1 ATOM 2622 C C . ASP A 1 388 ? 23.057 17.993 -44.089 1.00 64.19 ? 416 ASP A C 1 ATOM 2623 O O . ASP A 1 388 ? 22.611 16.905 -43.714 1.00 68.03 ? 416 ASP A O 1 ATOM 2624 C CB . ASP A 1 388 ? 21.957 20.003 -45.278 1.00 72.16 ? 416 ASP A CB 1 ATOM 2625 C CG . ASP A 1 388 ? 22.972 21.106 -44.946 1.00 82.03 ? 416 ASP A CG 1 ATOM 2626 O OD1 . ASP A 1 388 ? 24.101 20.807 -44.489 1.00 85.24 ? 416 ASP A OD1 1 ATOM 2627 O OD2 . ASP A 1 388 ? 22.670 22.281 -45.248 1.00 80.43 ? 416 ASP A OD2 1 ATOM 2628 N N . LEU A 1 389 ? 23.966 18.655 -43.372 1.00 63.90 ? 417 LEU A N 1 ATOM 2629 C CA . LEU A 1 389 ? 24.327 18.112 -42.071 1.00 60.52 ? 417 LEU A CA 1 ATOM 2630 C C . LEU A 1 389 ? 23.101 18.132 -41.143 1.00 69.26 ? 417 LEU A C 1 ATOM 2631 O O . LEU A 1 389 ? 22.124 18.849 -41.367 1.00 77.61 ? 417 LEU A O 1 ATOM 2632 C CB . LEU A 1 389 ? 25.526 18.867 -41.490 1.00 57.07 ? 417 LEU A CB 1 ATOM 2633 C CG . LEU A 1 389 ? 26.912 18.662 -42.163 1.00 63.32 ? 417 LEU A CG 1 ATOM 2634 C CD1 . LEU A 1 389 ? 27.983 19.589 -41.625 1.00 61.31 ? 417 LEU A CD1 1 ATOM 2635 C CD2 . LEU A 1 389 ? 27.414 17.248 -42.010 1.00 58.23 ? 417 LEU A CD2 1 ATOM 2636 N N . VAL A 1 390 ? 23.117 17.266 -40.140 1.00 62.41 ? 418 VAL A N 1 ATOM 2637 C CA . VAL A 1 390 ? 21.898 16.970 -39.396 1.00 79.87 ? 418 VAL A CA 1 ATOM 2638 C C . VAL A 1 390 ? 21.559 18.122 -38.457 1.00 86.04 ? 418 VAL A C 1 ATOM 2639 O O . VAL A 1 390 ? 22.322 18.452 -37.544 1.00 82.66 ? 418 VAL A O 1 ATOM 2640 C CB . VAL A 1 390 ? 22.029 15.645 -38.627 1.00 85.26 ? 418 VAL A CB 1 ATOM 2641 C CG1 . VAL A 1 390 ? 23.267 15.642 -37.730 1.00 87.03 ? 418 VAL A CG1 1 ATOM 2642 C CG2 . VAL A 1 390 ? 20.792 15.413 -37.773 1.00 69.71 ? 418 VAL A CG2 1 ATOM 2643 N N . SER A 1 391 ? 20.390 18.709 -38.650 1.00 84.93 ? 419 SER A N 1 ATOM 2644 C CA . SER A 1 391 ? 19.861 19.688 -37.723 1.00 73.63 ? 419 SER A CA 1 ATOM 2645 C C . SER A 1 391 ? 18.924 18.965 -36.765 1.00 88.33 ? 419 SER A C 1 ATOM 2646 O O . SER A 1 391 ? 18.112 18.135 -37.193 1.00 89.18 ? 419 SER A O 1 ATOM 2647 C CB . SER A 1 391 ? 19.141 20.808 -38.478 1.00 71.24 ? 419 SER A CB 1 ATOM 2648 O OG . SER A 1 391 ? 18.028 20.302 -39.194 1.00 66.89 ? 419 SER A OG 1 ATOM 2649 N N . ILE A 1 392 ? 19.053 19.275 -35.469 1.00 80.66 ? 420 ILE A N 1 ATOM 2650 C CA . ILE A 1 392 ? 18.451 18.493 -34.388 1.00 81.05 ? 420 ILE A CA 1 ATOM 2651 C C . ILE A 1 392 ? 17.513 19.404 -33.601 1.00 94.93 ? 420 ILE A C 1 ATOM 2652 O O . ILE A 1 392 ? 17.963 20.352 -32.939 1.00 99.78 ? 420 ILE A O 1 ATOM 2653 C CB . ILE A 1 392 ? 19.525 17.901 -33.468 1.00 74.74 ? 420 ILE A CB 1 ATOM 2654 C CG1 . ILE A 1 392 ? 20.471 17.008 -34.269 1.00 68.93 ? 420 ILE A CG1 1 ATOM 2655 C CG2 . ILE A 1 392 ? 18.879 17.131 -32.319 1.00 72.25 ? 420 ILE A CG2 1 ATOM 2656 C CD1 . ILE A 1 392 ? 21.718 16.624 -33.514 1.00 69.15 ? 420 ILE A CD1 1 ATOM 2657 N N . HIS A 1 393 ? 16.209 19.162 -33.723 1.00 89.40 ? 421 HIS A N 1 ATOM 2658 C CA . HIS A 1 393 ? 15.200 19.959 -33.043 1.00 76.09 ? 421 HIS A CA 1 ATOM 2659 C C . HIS A 1 393 ? 14.465 19.261 -31.890 1.00 86.49 ? 421 HIS A C 1 ATOM 2660 O O . HIS A 1 393 ? 13.602 19.888 -31.269 1.00 80.97 ? 421 HIS A O 1 ATOM 2661 C CB . HIS A 1 393 ? 14.221 20.492 -34.088 1.00 77.60 ? 421 HIS A CB 1 ATOM 2662 C CG . HIS A 1 393 ? 14.899 21.284 -35.163 1.00 76.54 ? 421 HIS A CG 1 ATOM 2663 N ND1 . HIS A 1 393 ? 15.420 20.697 -36.296 1.00 87.86 ? 421 HIS A ND1 1 ATOM 2664 C CD2 . HIS A 1 393 ? 15.211 22.598 -35.244 1.00 77.62 ? 421 HIS A CD2 1 ATOM 2665 C CE1 . HIS A 1 393 ? 15.990 21.619 -37.049 1.00 84.64 ? 421 HIS A CE1 1 ATOM 2666 N NE2 . HIS A 1 393 ? 15.880 22.782 -36.431 1.00 85.70 ? 421 HIS A NE2 1 ATOM 2667 N N . SER A 1 394 ? 14.753 17.993 -31.589 1.00 99.35 ? 422 SER A N 1 ATOM 2668 C CA . SER A 1 394 ? 14.046 17.259 -30.539 1.00 107.32 ? 422 SER A CA 1 ATOM 2669 C C . SER A 1 394 ? 15.048 16.590 -29.615 1.00 107.21 ? 422 SER A C 1 ATOM 2670 O O . SER A 1 394 ? 16.172 16.272 -30.016 1.00 114.16 ? 422 SER A O 1 ATOM 2671 C CB . SER A 1 394 ? 13.126 16.159 -31.101 1.00 117.83 ? 422 SER A CB 1 ATOM 2672 O OG . SER A 1 394 ? 12.086 16.682 -31.901 1.00 124.84 ? 422 SER A OG 1 ATOM 2673 N N . MET A 1 395 ? 14.622 16.322 -28.381 1.00 99.88 ? 423 MET A N 1 ATOM 2674 C CA . MET A 1 395 ? 15.432 15.437 -27.549 1.00 109.53 ? 423 MET A CA 1 ATOM 2675 C C . MET A 1 395 ? 15.310 13.993 -28.026 1.00 119.33 ? 423 MET A C 1 ATOM 2676 O O . MET A 1 395 ? 16.288 13.235 -27.998 1.00 124.42 ? 423 MET A O 1 ATOM 2677 C CB . MET A 1 395 ? 15.033 15.546 -26.080 1.00 111.24 ? 423 MET A CB 1 ATOM 2678 C CG . MET A 1 395 ? 15.938 14.744 -25.139 1.00 118.01 ? 423 MET A CG 1 ATOM 2679 S SD . MET A 1 395 ? 17.617 15.429 -25.035 1.00 124.04 ? 423 MET A SD 1 ATOM 2680 C CE . MET A 1 395 ? 18.402 14.321 -23.862 1.00 128.99 ? 423 MET A CE 1 ATOM 2681 N N . ALA A 1 396 ? 14.116 13.596 -28.469 1.00 122.07 ? 424 ALA A N 1 ATOM 2682 C CA . ALA A 1 396 ? 13.951 12.260 -29.027 1.00 120.44 ? 424 ALA A CA 1 ATOM 2683 C C . ALA A 1 396 ? 14.832 12.080 -30.248 1.00 118.49 ? 424 ALA A C 1 ATOM 2684 O O . ALA A 1 396 ? 15.447 11.018 -30.445 1.00 114.86 ? 424 ALA A O 1 ATOM 2685 C CB . ALA A 1 396 ? 12.489 12.028 -29.389 1.00 127.78 ? 424 ALA A CB 1 ATOM 2686 N N . GLU A 1 397 ? 14.906 13.116 -31.080 1.00 111.76 ? 425 GLU A N 1 ATOM 2687 C CA . GLU A 1 397 ? 15.792 13.070 -32.231 1.00 109.41 ? 425 GLU A CA 1 ATOM 2688 C C . GLU A 1 397 ? 17.253 12.946 -31.821 1.00 102.93 ? 425 GLU A C 1 ATOM 2689 O O . GLU A 1 397 ? 18.004 12.163 -32.416 1.00 108.95 ? 425 GLU A O 1 ATOM 2690 C CB . GLU A 1 397 ? 15.560 14.336 -33.050 1.00 104.76 ? 425 GLU A CB 1 ATOM 2691 C CG . GLU A 1 397 ? 16.306 14.441 -34.344 1.00 101.79 ? 425 GLU A CG 1 ATOM 2692 C CD . GLU A 1 397 ? 15.977 15.737 -35.043 1.00 97.17 ? 425 GLU A CD 1 ATOM 2693 O OE1 . GLU A 1 397 ? 16.091 15.800 -36.290 1.00 90.67 ? 425 GLU A OE1 1 ATOM 2694 O OE2 . GLU A 1 397 ? 15.472 16.650 -34.344 1.00 95.08 ? 425 GLU A OE2 1 ATOM 2695 N N . LEU A 1 398 ? 17.660 13.633 -30.755 1.00 99.09 ? 426 LEU A N 1 ATOM 2696 C CA . LEU A 1 398 ? 19.049 13.497 -30.337 1.00 94.88 ? 426 LEU A CA 1 ATOM 2697 C C . LEU A 1 398 ? 19.324 12.081 -29.857 1.00 95.90 ? 426 LEU A C 1 ATOM 2698 O O . LEU A 1 398 ? 20.423 11.563 -30.054 1.00 102.85 ? 426 LEU A O 1 ATOM 2699 C CB . LEU A 1 398 ? 19.431 14.531 -29.275 1.00 98.14 ? 426 LEU A CB 1 ATOM 2700 C CG . LEU A 1 398 ? 20.902 14.407 -28.831 1.00 103.32 ? 426 LEU A CG 1 ATOM 2701 C CD1 . LEU A 1 398 ? 21.514 15.785 -28.629 1.00 103.40 ? 426 LEU A CD1 1 ATOM 2702 C CD2 . LEU A 1 398 ? 21.086 13.565 -27.563 1.00 108.24 ? 426 LEU A CD2 1 ATOM 2703 N N . GLU A 1 399 ? 18.347 11.441 -29.214 1.00 101.66 ? 427 GLU A N 1 ATOM 2704 C CA . GLU A 1 399 ? 18.607 10.111 -28.676 1.00 108.25 ? 427 GLU A CA 1 ATOM 2705 C C . GLU A 1 399 ? 18.659 9.078 -29.796 1.00 109.81 ? 427 GLU A C 1 ATOM 2706 O O . GLU A 1 399 ? 19.496 8.164 -29.768 1.00 107.85 ? 427 GLU A O 1 ATOM 2707 C CB . GLU A 1 399 ? 17.548 9.741 -27.634 1.00 97.57 ? 427 GLU A CB 1 ATOM 2708 N N . PHE A 1 400 ? 17.808 9.223 -30.817 1.00 114.36 ? 428 PHE A N 1 ATOM 2709 C CA . PHE A 1 400 ? 17.953 8.342 -31.970 1.00 122.15 ? 428 PHE A CA 1 ATOM 2710 C C . PHE A 1 400 ? 19.304 8.520 -32.644 1.00 126.62 ? 428 PHE A C 1 ATOM 2711 O O . PHE A 1 400 ? 20.019 7.548 -32.906 1.00 138.34 ? 428 PHE A O 1 ATOM 2712 C CB . PHE A 1 400 ? 16.851 8.559 -33.004 1.00 126.22 ? 428 PHE A CB 1 ATOM 2713 C CG . PHE A 1 400 ? 17.114 7.811 -34.280 1.00 133.48 ? 428 PHE A CG 1 ATOM 2714 C CD1 . PHE A 1 400 ? 16.790 6.474 -34.401 1.00 138.37 ? 428 PHE A CD1 1 ATOM 2715 C CD2 . PHE A 1 400 ? 17.731 8.447 -35.352 1.00 135.30 ? 428 PHE A CD2 1 ATOM 2716 C CE1 . PHE A 1 400 ? 17.067 5.787 -35.565 1.00 141.41 ? 428 PHE A CE1 1 ATOM 2717 C CE2 . PHE A 1 400 ? 18.005 7.769 -36.519 1.00 133.90 ? 428 PHE A CE2 1 ATOM 2718 C CZ . PHE A 1 400 ? 17.672 6.436 -36.624 1.00 140.22 ? 428 PHE A CZ 1 ATOM 2719 N N . ILE A 1 401 ? 19.650 9.758 -32.970 1.00 113.22 ? 429 ILE A N 1 ATOM 2720 C CA . ILE A 1 401 ? 20.948 10.033 -33.571 1.00 105.63 ? 429 ILE A CA 1 ATOM 2721 C C . ILE A 1 401 ? 22.086 9.430 -32.750 1.00 110.31 ? 429 ILE A C 1 ATOM 2722 O O . ILE A 1 401 ? 22.916 8.671 -33.269 1.00 110.58 ? 429 ILE A O 1 ATOM 2723 C CB . ILE A 1 401 ? 21.093 11.546 -33.765 1.00 96.54 ? 429 ILE A CB 1 ATOM 2724 C CG1 . ILE A 1 401 ? 20.098 11.960 -34.851 1.00 95.96 ? 429 ILE A CG1 1 ATOM 2725 C CG2 . ILE A 1 401 ? 22.519 11.910 -34.114 1.00 92.63 ? 429 ILE A CG2 1 ATOM 2726 C CD1 . ILE A 1 401 ? 19.904 13.434 -34.967 1.00 100.59 ? 429 ILE A CD1 1 ATOM 2727 N N . THR A 1 402 ? 22.145 9.754 -31.457 1.00 110.97 ? 430 THR A N 1 ATOM 2728 C CA . THR A 1 402 ? 23.269 9.312 -30.632 1.00 116.48 ? 430 THR A CA 1 ATOM 2729 C C . THR A 1 402 ? 23.337 7.786 -30.511 1.00 118.96 ? 430 THR A C 1 ATOM 2730 O O . THR A 1 402 ? 24.385 7.183 -30.775 1.00 117.68 ? 430 THR A O 1 ATOM 2731 C CB . THR A 1 402 ? 23.226 9.982 -29.245 1.00 112.86 ? 430 THR A CB 1 ATOM 2732 O OG1 . THR A 1 402 ? 24.408 9.650 -28.508 1.00 111.12 ? 430 THR A OG1 1 ATOM 2733 C CG2 . THR A 1 402 ? 22.032 9.562 -28.425 1.00 120.65 ? 430 THR A CG2 1 ATOM 2734 N N . LYS A 1 403 ? 22.222 7.142 -30.137 1.00 122.19 ? 431 LYS A N 1 ATOM 2735 C CA . LYS A 1 403 ? 22.246 5.714 -29.820 1.00 123.59 ? 431 LYS A CA 1 ATOM 2736 C C . LYS A 1 403 ? 22.153 4.812 -31.048 1.00 125.78 ? 431 LYS A C 1 ATOM 2737 O O . LYS A 1 403 ? 22.819 3.773 -31.098 1.00 127.94 ? 431 LYS A O 1 ATOM 2738 C CB . LYS A 1 403 ? 21.120 5.388 -28.837 1.00 128.08 ? 431 LYS A CB 1 ATOM 2739 N N . GLN A 1 404 ? 21.297 5.145 -32.017 1.00 130.09 ? 432 GLN A N 1 ATOM 2740 C CA . GLN A 1 404 ? 21.138 4.281 -33.186 1.00 130.64 ? 432 GLN A CA 1 ATOM 2741 C C . GLN A 1 404 ? 22.211 4.546 -34.241 1.00 131.65 ? 432 GLN A C 1 ATOM 2742 O O . GLN A 1 404 ? 22.712 3.606 -34.867 1.00 136.78 ? 432 GLN A O 1 ATOM 2743 C CB . GLN A 1 404 ? 19.741 4.462 -33.789 1.00 127.12 ? 432 GLN A CB 1 ATOM 2744 N N . ILE A 1 405 ? 22.565 5.812 -34.462 1.00 120.42 ? 433 ILE A N 1 ATOM 2745 C CA . ILE A 1 405 ? 23.429 6.194 -35.575 1.00 107.73 ? 433 ILE A CA 1 ATOM 2746 C C . ILE A 1 405 ? 24.866 6.408 -35.120 1.00 104.49 ? 433 ILE A C 1 ATOM 2747 O O . ILE A 1 405 ? 25.770 5.716 -35.590 1.00 108.48 ? 433 ILE A O 1 ATOM 2748 C CB . ILE A 1 405 ? 22.884 7.424 -36.314 1.00 97.28 ? 433 ILE A CB 1 ATOM 2749 C CG1 . ILE A 1 405 ? 21.427 7.183 -36.691 1.00 93.36 ? 433 ILE A CG1 1 ATOM 2750 C CG2 . ILE A 1 405 ? 23.697 7.698 -37.538 1.00 83.48 ? 433 ILE A CG2 1 ATOM 2751 C CD1 . ILE A 1 405 ? 21.248 5.969 -37.533 1.00 92.73 ? 433 ILE A CD1 1 ATOM 2752 N N . LYS A 1 406 ? 25.104 7.371 -34.224 1.00 101.75 ? 434 LYS A N 1 ATOM 2753 C CA . LYS A 1 406 ? 26.472 7.599 -33.756 1.00 103.15 ? 434 LYS A CA 1 ATOM 2754 C C . LYS A 1 406 ? 27.081 6.315 -33.197 1.00 118.24 ? 434 LYS A C 1 ATOM 2755 O O . LYS A 1 406 ? 28.146 5.875 -33.640 1.00 124.82 ? 434 LYS A O 1 ATOM 2756 C CB . LYS A 1 406 ? 26.501 8.714 -32.706 1.00 90.86 ? 434 LYS A CB 1 ATOM 2757 N N . GLN A 1 407 ? 26.407 5.688 -32.237 1.00 126.94 ? 435 GLN A N 1 ATOM 2758 C CA . GLN A 1 407 ? 26.827 4.414 -31.643 1.00 126.63 ? 435 GLN A CA 1 ATOM 2759 C C . GLN A 1 407 ? 28.241 4.566 -31.093 1.00 131.12 ? 435 GLN A C 1 ATOM 2760 O O . GLN A 1 407 ? 28.479 5.495 -30.300 1.00 132.51 ? 435 GLN A O 1 ATOM 2761 C CB . GLN A 1 407 ? 26.646 3.286 -32.659 1.00 122.63 ? 435 GLN A CB 1 ATOM 2762 C CG . GLN A 1 407 ? 25.220 2.799 -32.838 1.00 130.07 ? 435 GLN A CG 1 ATOM 2763 C CD . GLN A 1 407 ? 25.104 1.708 -33.900 1.00 140.54 ? 435 GLN A CD 1 ATOM 2764 O OE1 . GLN A 1 407 ? 25.578 1.861 -35.027 1.00 140.18 ? 435 GLN A OE1 1 ATOM 2765 N NE2 . GLN A 1 407 ? 24.501 0.585 -33.526 1.00 146.91 ? 435 GLN A NE2 1 ATOM 2766 N N . GLU A 1 408 ? 29.205 3.727 -31.498 1.00 132.19 ? 436 GLU A N 1 ATOM 2767 C CA . GLU A 1 408 ? 30.528 3.719 -30.879 1.00 132.77 ? 436 GLU A CA 1 ATOM 2768 C C . GLU A 1 408 ? 31.457 4.842 -31.340 1.00 125.24 ? 436 GLU A C 1 ATOM 2769 O O . GLU A 1 408 ? 32.527 5.011 -30.741 1.00 126.41 ? 436 GLU A O 1 ATOM 2770 C CB . GLU A 1 408 ? 31.179 2.363 -31.146 1.00 139.81 ? 436 GLU A CB 1 ATOM 2771 C CG . GLU A 1 408 ? 31.863 2.272 -32.507 1.00 141.85 ? 436 GLU A CG 1 ATOM 2772 C CD . GLU A 1 408 ? 30.858 2.173 -33.654 1.00 137.05 ? 436 GLU A CD 1 ATOM 2773 O OE1 . GLU A 1 408 ? 31.260 2.339 -34.829 1.00 116.53 ? 436 GLU A OE1 1 ATOM 2774 O OE2 . GLU A 1 408 ? 29.657 1.956 -33.372 1.00 148.33 ? 436 GLU A OE2 1 ATOM 2775 N N . VAL A 1 409 ? 31.111 5.591 -32.388 1.00 116.19 ? 437 VAL A N 1 ATOM 2776 C CA . VAL A 1 409 ? 32.013 6.629 -32.874 1.00 106.99 ? 437 VAL A CA 1 ATOM 2777 C C . VAL A 1 409 ? 32.023 7.765 -31.855 1.00 108.35 ? 437 VAL A C 1 ATOM 2778 O O . VAL A 1 409 ? 30.968 8.163 -31.338 1.00 91.62 ? 437 VAL A O 1 ATOM 2779 C CB . VAL A 1 409 ? 31.623 7.110 -34.279 1.00 104.22 ? 437 VAL A CB 1 ATOM 2780 C CG1 . VAL A 1 409 ? 30.327 7.865 -34.250 1.00 110.43 ? 437 VAL A CG1 1 ATOM 2781 C CG2 . VAL A 1 409 ? 32.710 7.988 -34.840 1.00 99.66 ? 437 VAL A CG2 1 ATOM 2782 N N . GLU A 1 410 ? 33.215 8.214 -31.464 1.00 112.33 ? 438 GLU A N 1 ATOM 2783 C CA . GLU A 1 410 ? 33.272 9.129 -30.330 1.00 116.48 ? 438 GLU A CA 1 ATOM 2784 C C . GLU A 1 410 ? 32.689 10.490 -30.698 1.00 114.62 ? 438 GLU A C 1 ATOM 2785 O O . GLU A 1 410 ? 31.754 10.966 -30.044 1.00 123.69 ? 438 GLU A O 1 ATOM 2786 C CB . GLU A 1 410 ? 34.713 9.292 -29.831 1.00 121.26 ? 438 GLU A CB 1 ATOM 2787 C CG . GLU A 1 410 ? 35.352 8.049 -29.208 1.00 143.86 ? 438 GLU A CG 1 ATOM 2788 C CD . GLU A 1 410 ? 36.794 8.292 -28.744 1.00 159.22 ? 438 GLU A CD 1 ATOM 2789 O OE1 . GLU A 1 410 ? 37.141 9.464 -28.473 1.00 163.02 ? 438 GLU A OE1 1 ATOM 2790 O OE2 . GLU A 1 410 ? 37.577 7.316 -28.647 1.00 165.03 ? 438 GLU A OE2 1 ATOM 2791 N N . GLU A 1 411 ? 33.165 11.097 -31.789 1.00 110.44 ? 439 GLU A N 1 ATOM 2792 C CA . GLU A 1 411 ? 32.741 12.449 -32.140 1.00 101.50 ? 439 GLU A CA 1 ATOM 2793 C C . GLU A 1 411 ? 32.615 12.649 -33.649 1.00 90.90 ? 439 GLU A C 1 ATOM 2794 O O . GLU A 1 411 ? 33.428 12.148 -34.439 1.00 88.71 ? 439 GLU A O 1 ATOM 2795 C CB . GLU A 1 411 ? 33.673 13.496 -31.510 1.00 105.89 ? 439 GLU A CB 1 ATOM 2796 C CG . GLU A 1 411 ? 35.129 13.430 -31.898 1.00 117.12 ? 439 GLU A CG 1 ATOM 2797 C CD . GLU A 1 411 ? 35.865 14.726 -31.589 1.00 121.73 ? 439 GLU A CD 1 ATOM 2798 O OE1 . GLU A 1 411 ? 35.382 15.505 -30.744 1.00 121.63 ? 439 GLU A OE1 1 ATOM 2799 O OE2 . GLU A 1 411 ? 36.934 14.966 -32.183 1.00 129.39 ? 439 GLU A OE2 1 ATOM 2800 N N . LEU A 1 412 ? 31.561 13.371 -34.029 1.00 79.81 ? 440 LEU A N 1 ATOM 2801 C CA . LEU A 1 412 ? 31.233 13.634 -35.425 1.00 68.33 ? 440 LEU A CA 1 ATOM 2802 C C . LEU A 1 412 ? 30.623 15.026 -35.593 1.00 77.23 ? 440 LEU A C 1 ATOM 2803 O O . LEU A 1 412 ? 30.105 15.614 -34.640 1.00 97.18 ? 440 LEU A O 1 ATOM 2804 C CB . LEU A 1 412 ? 30.294 12.532 -35.931 1.00 70.53 ? 440 LEU A CB 1 ATOM 2805 C CG . LEU A 1 412 ? 29.158 12.113 -34.979 1.00 73.93 ? 440 LEU A CG 1 ATOM 2806 C CD1 . LEU A 1 412 ? 28.028 13.096 -34.922 1.00 75.81 ? 440 LEU A CD1 1 ATOM 2807 C CD2 . LEU A 1 412 ? 28.621 10.754 -35.390 1.00 75.20 ? 440 LEU A CD2 1 ATOM 2808 N N . TRP A 1 413 ? 30.679 15.552 -36.820 1.00 66.79 ? 441 TRP A N 1 ATOM 2809 C CA . TRP A 1 413 ? 30.102 16.869 -37.090 1.00 65.04 ? 441 TRP A CA 1 ATOM 2810 C C . TRP A 1 413 ? 28.572 16.807 -37.146 1.00 72.70 ? 441 TRP A C 1 ATOM 2811 O O . TRP A 1 413 ? 28.001 15.853 -37.685 1.00 76.10 ? 441 TRP A O 1 ATOM 2812 C CB . TRP A 1 413 ? 30.616 17.422 -38.415 1.00 61.41 ? 441 TRP A CB 1 ATOM 2813 C CG . TRP A 1 413 ? 32.072 17.677 -38.480 1.00 63.96 ? 441 TRP A CG 1 ATOM 2814 C CD1 . TRP A 1 413 ? 32.983 17.008 -39.238 1.00 65.25 ? 441 TRP A CD1 1 ATOM 2815 C CD2 . TRP A 1 413 ? 32.808 18.638 -37.720 1.00 68.47 ? 441 TRP A CD2 1 ATOM 2816 N NE1 . TRP A 1 413 ? 34.234 17.521 -39.032 1.00 65.92 ? 441 TRP A NE1 1 ATOM 2817 C CE2 . TRP A 1 413 ? 34.159 18.519 -38.097 1.00 67.05 ? 441 TRP A CE2 1 ATOM 2818 C CE3 . TRP A 1 413 ? 32.453 19.606 -36.770 1.00 76.82 ? 441 TRP A CE3 1 ATOM 2819 C CZ2 . TRP A 1 413 ? 35.170 19.333 -37.553 1.00 73.25 ? 441 TRP A CZ2 1 ATOM 2820 C CZ3 . TRP A 1 413 ? 33.461 20.414 -36.221 1.00 76.96 ? 441 TRP A CZ3 1 ATOM 2821 C CH2 . TRP A 1 413 ? 34.802 20.264 -36.613 1.00 73.65 ? 441 TRP A CH2 1 ATOM 2822 N N . ILE A 1 414 ? 27.891 17.780 -36.529 1.00 60.08 ? 442 ILE A N 1 ATOM 2823 C CA . ILE A 1 414 ? 26.441 17.879 -36.714 1.00 70.90 ? 442 ILE A CA 1 ATOM 2824 C C . ILE A 1 414 ? 25.968 19.121 -37.455 1.00 68.68 ? 442 ILE A C 1 ATOM 2825 O O . ILE A 1 414 ? 24.752 19.299 -37.579 1.00 81.41 ? 442 ILE A O 1 ATOM 2826 C CB . ILE A 1 414 ? 25.650 17.734 -35.404 1.00 76.85 ? 442 ILE A CB 1 ATOM 2827 C CG1 . ILE A 1 414 ? 25.993 18.848 -34.416 1.00 57.80 ? 442 ILE A CG1 1 ATOM 2828 C CG2 . ILE A 1 414 ? 25.790 16.304 -34.898 1.00 85.64 ? 442 ILE A CG2 1 ATOM 2829 C CD1 . ILE A 1 414 ? 25.006 18.930 -33.327 1.00 67.54 ? 442 ILE A CD1 1 ATOM 2830 N N . GLY A 1 415 ? 26.820 20.010 -37.908 1.00 54.42 ? 443 GLY A N 1 ATOM 2831 C CA . GLY A 1 415 ? 26.162 21.031 -38.724 1.00 80.16 ? 443 GLY A CA 1 ATOM 2832 C C . GLY A 1 415 ? 25.703 22.318 -38.045 1.00 78.59 ? 443 GLY A C 1 ATOM 2833 O O . GLY A 1 415 ? 25.100 23.176 -38.711 1.00 66.79 ? 443 GLY A O 1 ATOM 2834 N N . LEU A 1 416 ? 25.884 22.452 -36.741 1.00 76.01 ? 444 LEU A N 1 ATOM 2835 C CA . LEU A 1 416 ? 25.428 23.614 -36.007 1.00 61.37 ? 444 LEU A CA 1 ATOM 2836 C C . LEU A 1 416 ? 26.711 24.421 -36.014 1.00 60.12 ? 444 LEU A C 1 ATOM 2837 O O . LEU A 1 416 ? 27.793 23.836 -35.883 1.00 53.92 ? 444 LEU A O 1 ATOM 2838 C CB . LEU A 1 416 ? 24.998 23.295 -34.578 1.00 58.94 ? 444 LEU A CB 1 ATOM 2839 C CG . LEU A 1 416 ? 24.647 24.504 -33.710 1.00 63.52 ? 444 LEU A CG 1 ATOM 2840 C CD1 . LEU A 1 416 ? 23.355 25.184 -34.191 1.00 68.28 ? 444 LEU A CD1 1 ATOM 2841 C CD2 . LEU A 1 416 ? 24.588 24.165 -32.217 1.00 60.15 ? 444 LEU A CD2 1 ATOM 2842 N N . ASN A 1 417 ? 26.636 25.716 -36.293 1.00 61.29 ? 445 ASN A N 1 ATOM 2843 C CA . ASN A 1 417 ? 27.897 26.417 -36.515 1.00 63.08 ? 445 ASN A CA 1 ATOM 2844 C C . ASN A 1 417 ? 27.691 27.885 -36.183 1.00 60.30 ? 445 ASN A C 1 ATOM 2845 O O . ASN A 1 417 ? 26.570 28.391 -36.260 1.00 65.18 ? 445 ASN A O 1 ATOM 2846 C CB . ASN A 1 417 ? 28.356 26.209 -37.970 1.00 48.02 ? 445 ASN A CB 1 ATOM 2847 C CG . ASN A 1 417 ? 27.593 27.085 -38.929 1.00 51.84 ? 445 ASN A CG 1 ATOM 2848 O OD1 . ASN A 1 417 ? 27.821 28.288 -38.988 1.00 68.82 ? 445 ASN A OD1 1 ATOM 2849 N ND2 . ASN A 1 417 ? 26.516 26.540 -39.484 1.00 54.68 ? 445 ASN A ND2 1 ATOM 2850 N N . ASP A 1 418 ? 28.748 28.542 -35.709 1.00 65.92 ? 446 ASP A N 1 ATOM 2851 C CA . ASP A 1 418 ? 28.762 29.999 -35.566 1.00 73.62 ? 446 ASP A CA 1 ATOM 2852 C C . ASP A 1 418 ? 29.661 30.708 -36.589 1.00 72.62 ? 446 ASP A C 1 ATOM 2853 O O . ASP A 1 418 ? 30.096 31.834 -36.336 1.00 73.47 ? 446 ASP A O 1 ATOM 2854 C CB . ASP A 1 418 ? 29.057 30.441 -34.126 1.00 71.91 ? 446 ASP A CB 1 ATOM 2855 C CG . ASP A 1 418 ? 30.381 29.984 -33.612 1.00 66.13 ? 446 ASP A CG 1 ATOM 2856 O OD1 . ASP A 1 418 ? 31.070 29.250 -34.330 1.00 65.90 ? 446 ASP A OD1 1 ATOM 2857 O OD2 . ASP A 1 418 ? 30.725 30.370 -32.469 1.00 71.78 ? 446 ASP A OD2 1 ATOM 2858 N N . LEU A 1 419 ? 30.027 30.038 -37.688 1.00 66.81 ? 447 LEU A N 1 ATOM 2859 C CA . LEU A 1 419 ? 30.805 30.648 -38.775 1.00 70.90 ? 447 LEU A CA 1 ATOM 2860 C C . LEU A 1 419 ? 30.408 32.065 -39.199 1.00 77.21 ? 447 LEU A C 1 ATOM 2861 O O . LEU A 1 419 ? 31.287 32.868 -39.521 1.00 88.48 ? 447 LEU A O 1 ATOM 2862 C CB . LEU A 1 419 ? 30.736 29.754 -40.025 1.00 63.27 ? 447 LEU A CB 1 ATOM 2863 C CG . LEU A 1 419 ? 31.650 28.544 -39.902 1.00 61.41 ? 447 LEU A CG 1 ATOM 2864 C CD1 . LEU A 1 419 ? 31.335 27.504 -40.913 1.00 59.88 ? 447 LEU A CD1 1 ATOM 2865 C CD2 . LEU A 1 419 ? 33.084 28.999 -40.078 1.00 54.28 ? 447 LEU A CD2 1 ATOM 2866 N N . LYS A 1 420 ? 29.115 32.388 -39.253 1.00 71.81 ? 448 LYS A N 1 ATOM 2867 C CA . LYS A 1 420 ? 28.723 33.707 -39.750 1.00 77.92 ? 448 LYS A CA 1 ATOM 2868 C C . LYS A 1 420 ? 28.872 34.804 -38.698 1.00 87.39 ? 448 LYS A C 1 ATOM 2869 O O . LYS A 1 420 ? 29.290 35.920 -39.027 1.00 96.49 ? 448 LYS A O 1 ATOM 2870 C CB . LYS A 1 420 ? 27.287 33.679 -40.274 1.00 84.01 ? 448 LYS A CB 1 ATOM 2871 C CG . LYS A 1 420 ? 26.826 35.013 -40.864 1.00 94.13 ? 448 LYS A CG 1 ATOM 2872 C CD . LYS A 1 420 ? 25.351 34.972 -41.248 1.00 105.68 ? 448 LYS A CD 1 ATOM 2873 C CE . LYS A 1 420 ? 25.110 33.991 -42.396 1.00 111.24 ? 448 LYS A CE 1 ATOM 2874 N NZ . LYS A 1 420 ? 23.666 33.894 -42.761 1.00 114.19 ? 448 LYS A NZ 1 ATOM 2875 N N . LEU A 1 421 ? 28.486 34.544 -37.448 1.00 84.12 ? 449 LEU A N 1 ATOM 2876 C CA . LEU A 1 421 ? 28.675 35.523 -36.379 1.00 70.47 ? 449 LEU A CA 1 ATOM 2877 C C . LEU A 1 421 ? 29.057 34.805 -35.084 1.00 66.43 ? 449 LEU A C 1 ATOM 2878 O O . LEU A 1 421 ? 28.283 33.984 -34.583 1.00 66.65 ? 449 LEU A O 1 ATOM 2879 C CB . LEU A 1 421 ? 27.397 36.360 -36.219 1.00 66.75 ? 449 LEU A CB 1 ATOM 2880 C CG . LEU A 1 421 ? 27.381 37.441 -35.135 1.00 76.38 ? 449 LEU A CG 1 ATOM 2881 C CD1 . LEU A 1 421 ? 28.408 38.516 -35.447 1.00 69.28 ? 449 LEU A CD1 1 ATOM 2882 C CD2 . LEU A 1 421 ? 25.967 38.034 -34.947 1.00 79.57 ? 449 LEU A CD2 1 ATOM 2883 N N . GLN A 1 422 ? 30.223 35.131 -34.519 1.00 65.97 ? 450 GLN A N 1 ATOM 2884 C CA . GLN A 1 422 ? 30.700 34.435 -33.324 1.00 63.77 ? 450 GLN A CA 1 ATOM 2885 C C . GLN A 1 422 ? 29.657 34.425 -32.208 1.00 74.00 ? 450 GLN A C 1 ATOM 2886 O O . GLN A 1 422 ? 29.012 35.437 -31.915 1.00 75.31 ? 450 GLN A O 1 ATOM 2887 C CB . GLN A 1 422 ? 32.005 35.057 -32.813 1.00 57.03 ? 450 GLN A CB 1 ATOM 2888 C CG . GLN A 1 422 ? 33.222 34.665 -33.610 1.00 73.71 ? 450 GLN A CG 1 ATOM 2889 C CD . GLN A 1 422 ? 33.512 33.156 -33.541 1.00 80.81 ? 450 GLN A CD 1 ATOM 2890 O OE1 . GLN A 1 422 ? 33.421 32.545 -32.475 1.00 83.14 ? 450 GLN A OE1 1 ATOM 2891 N NE2 . GLN A 1 422 ? 33.847 32.558 -34.683 1.00 77.77 ? 450 GLN A NE2 1 ATOM 2892 N N . MET A 1 423 ? 29.509 33.246 -31.596 1.00 72.32 ? 451 MET A N 1 ATOM 2893 C CA . MET A 1 423 ? 28.534 32.981 -30.538 1.00 66.37 ? 451 MET A CA 1 ATOM 2894 C C . MET A 1 423 ? 27.121 33.348 -30.963 1.00 74.44 ? 451 MET A C 1 ATOM 2895 O O . MET A 1 423 ? 26.301 33.779 -30.147 1.00 83.77 ? 451 MET A O 1 ATOM 2896 C CB . MET A 1 423 ? 28.904 33.689 -29.242 1.00 65.07 ? 451 MET A CB 1 ATOM 2897 C CG . MET A 1 423 ? 30.206 33.216 -28.669 1.00 69.76 ? 451 MET A CG 1 ATOM 2898 S SD . MET A 1 423 ? 30.177 31.456 -28.309 1.00 75.78 ? 451 MET A SD 1 ATOM 2899 C CE . MET A 1 423 ? 31.801 31.298 -27.559 1.00 65.02 ? 451 MET A CE 1 ATOM 2900 N N . ASN A 1 424 ? 26.828 33.199 -32.250 1.00 69.36 ? 452 ASN A N 1 ATOM 2901 C CA . ASN A 1 424 ? 25.452 33.154 -32.729 1.00 71.87 ? 452 ASN A CA 1 ATOM 2902 C C . ASN A 1 424 ? 25.348 31.912 -33.602 1.00 70.49 ? 452 ASN A C 1 ATOM 2903 O O . ASN A 1 424 ? 25.880 31.890 -34.714 1.00 74.07 ? 452 ASN A O 1 ATOM 2904 C CB . ASN A 1 424 ? 25.098 34.411 -33.517 1.00 80.80 ? 452 ASN A CB 1 ATOM 2905 C CG . ASN A 1 424 ? 23.612 34.583 -33.697 1.00 97.46 ? 452 ASN A CG 1 ATOM 2906 O OD1 . ASN A 1 424 ? 22.822 34.398 -32.762 1.00 102.97 ? 452 ASN A OD1 1 ATOM 2907 N ND2 . ASN A 1 424 ? 23.211 34.870 -34.927 1.00 103.45 ? 452 ASN A ND2 1 ATOM 2908 N N . PHE A 1 425 ? 24.640 30.893 -33.125 1.00 73.62 ? 453 PHE A N 1 ATOM 2909 C CA . PHE A 1 425 ? 24.708 29.566 -33.723 1.00 67.76 ? 453 PHE A CA 1 ATOM 2910 C C . PHE A 1 425 ? 23.537 29.293 -34.643 1.00 67.24 ? 453 PHE A C 1 ATOM 2911 O O . PHE A 1 425 ? 22.390 29.619 -34.333 1.00 69.43 ? 453 PHE A O 1 ATOM 2912 C CB . PHE A 1 425 ? 24.772 28.476 -32.661 1.00 59.44 ? 453 PHE A CB 1 ATOM 2913 C CG . PHE A 1 425 ? 26.114 28.318 -32.056 1.00 59.91 ? 453 PHE A CG 1 ATOM 2914 C CD1 . PHE A 1 425 ? 27.051 27.499 -32.660 1.00 48.36 ? 453 PHE A CD1 1 ATOM 2915 C CD2 . PHE A 1 425 ? 26.449 28.974 -30.889 1.00 56.70 ? 453 PHE A CD2 1 ATOM 2916 C CE1 . PHE A 1 425 ? 28.294 27.326 -32.117 1.00 49.44 ? 453 PHE A CE1 1 ATOM 2917 C CE2 . PHE A 1 425 ? 27.718 28.807 -30.328 1.00 58.64 ? 453 PHE A CE2 1 ATOM 2918 C CZ . PHE A 1 425 ? 28.641 27.985 -30.945 1.00 50.16 ? 453 PHE A CZ 1 ATOM 2919 N N . GLU A 1 426 ? 23.841 28.639 -35.752 1.00 66.38 ? 454 GLU A N 1 ATOM 2920 C CA . GLU A 1 426 ? 22.898 28.417 -36.825 1.00 69.05 ? 454 GLU A CA 1 ATOM 2921 C C . GLU A 1 426 ? 23.046 26.993 -37.318 1.00 61.73 ? 454 GLU A C 1 ATOM 2922 O O . GLU A 1 426 ? 24.106 26.382 -37.171 1.00 64.61 ? 454 GLU A O 1 ATOM 2923 C CB . GLU A 1 426 ? 23.133 29.405 -37.965 1.00 69.96 ? 454 GLU A CB 1 ATOM 2924 C CG . GLU A 1 426 ? 22.772 30.813 -37.564 1.00 83.60 ? 454 GLU A CG 1 ATOM 2925 C CD . GLU A 1 426 ? 23.090 31.822 -38.626 1.00 101.08 ? 454 GLU A CD 1 ATOM 2926 O OE1 . GLU A 1 426 ? 23.738 31.424 -39.617 1.00 107.18 ? 454 GLU A OE1 1 ATOM 2927 O OE2 . GLU A 1 426 ? 22.710 33.009 -38.462 1.00 108.62 ? 454 GLU A OE2 1 ATOM 2928 N N . TRP A 1 427 ? 21.961 26.460 -37.867 1.00 67.40 ? 455 TRP A N 1 ATOM 2929 C CA . TRP A 1 427 ? 22.023 25.192 -38.569 1.00 55.08 ? 455 TRP A CA 1 ATOM 2930 C C . TRP A 1 427 ? 22.438 25.462 -40.002 1.00 62.30 ? 455 TRP A C 1 ATOM 2931 O O . TRP A 1 427 ? 22.040 26.472 -40.582 1.00 71.72 ? 455 TRP A O 1 ATOM 2932 C CB . TRP A 1 427 ? 20.679 24.472 -38.522 1.00 57.62 ? 455 TRP A CB 1 ATOM 2933 C CG . TRP A 1 427 ? 20.301 24.045 -37.160 1.00 58.41 ? 455 TRP A CG 1 ATOM 2934 C CD1 . TRP A 1 427 ? 19.318 24.580 -36.378 1.00 59.54 ? 455 TRP A CD1 1 ATOM 2935 C CD2 . TRP A 1 427 ? 20.954 23.050 -36.363 1.00 60.96 ? 455 TRP A CD2 1 ATOM 2936 N NE1 . TRP A 1 427 ? 19.278 23.939 -35.170 1.00 68.44 ? 455 TRP A NE1 1 ATOM 2937 C CE2 . TRP A 1 427 ? 20.282 23.007 -35.124 1.00 59.84 ? 455 TRP A CE2 1 ATOM 2938 C CE3 . TRP A 1 427 ? 22.038 22.181 -36.579 1.00 57.60 ? 455 TRP A CE3 1 ATOM 2939 C CZ2 . TRP A 1 427 ? 20.653 22.123 -34.102 1.00 65.71 ? 455 TRP A CZ2 1 ATOM 2940 C CZ3 . TRP A 1 427 ? 22.411 21.304 -35.574 1.00 58.23 ? 455 TRP A CZ3 1 ATOM 2941 C CH2 . TRP A 1 427 ? 21.721 21.284 -34.346 1.00 77.92 ? 455 TRP A CH2 1 ATOM 2942 N N . SER A 1 428 ? 23.279 24.585 -40.565 1.00 58.52 ? 456 SER A N 1 ATOM 2943 C CA . SER A 1 428 ? 23.695 24.803 -41.947 1.00 59.96 ? 456 SER A CA 1 ATOM 2944 C C . SER A 1 428 ? 22.504 24.781 -42.901 1.00 63.32 ? 456 SER A C 1 ATOM 2945 O O . SER A 1 428 ? 22.540 25.442 -43.941 1.00 58.17 ? 456 SER A O 1 ATOM 2946 C CB . SER A 1 428 ? 24.727 23.772 -42.383 1.00 53.59 ? 456 SER A CB 1 ATOM 2947 O OG . SER A 1 428 ? 24.148 22.496 -42.466 1.00 73.69 ? 456 SER A OG 1 ATOM 2948 N N . ASP A 1 429 ? 21.424 24.083 -42.547 1.00 60.96 ? 457 ASP A N 1 ATOM 2949 C CA . ASP A 1 429 ? 20.271 23.992 -43.427 1.00 67.34 ? 457 ASP A CA 1 ATOM 2950 C C . ASP A 1 429 ? 19.289 25.143 -43.228 1.00 78.89 ? 457 ASP A C 1 ATOM 2951 O O . ASP A 1 429 ? 18.166 25.080 -43.746 1.00 78.64 ? 457 ASP A O 1 ATOM 2952 C CB . ASP A 1 429 ? 19.565 22.631 -43.268 1.00 69.10 ? 457 ASP A CB 1 ATOM 2953 C CG . ASP A 1 429 ? 18.937 22.413 -41.888 1.00 75.73 ? 457 ASP A CG 1 ATOM 2954 O OD1 . ASP A 1 429 ? 18.767 23.370 -41.097 1.00 83.02 ? 457 ASP A OD1 1 ATOM 2955 O OD2 . ASP A 1 429 ? 18.621 21.238 -41.593 1.00 75.13 ? 457 ASP A OD2 1 ATOM 2956 N N . GLY A 1 430 ? 19.654 26.162 -42.449 1.00 69.62 ? 458 GLY A N 1 ATOM 2957 C CA . GLY A 1 430 ? 18.789 27.318 -42.306 1.00 60.89 ? 458 GLY A CA 1 ATOM 2958 C C . GLY A 1 430 ? 17.600 27.106 -41.406 1.00 67.66 ? 458 GLY A C 1 ATOM 2959 O O . GLY A 1 430 ? 16.819 28.044 -41.203 1.00 74.77 ? 458 GLY A O 1 ATOM 2960 N N . SER A 1 431 ? 17.432 25.905 -40.863 1.00 69.54 ? 459 SER A N 1 ATOM 2961 C CA . SER A 1 431 ? 16.372 25.641 -39.907 1.00 66.04 ? 459 SER A CA 1 ATOM 2962 C C . SER A 1 431 ? 16.581 26.429 -38.602 1.00 66.29 ? 459 SER A C 1 ATOM 2963 O O . SER A 1 431 ? 17.713 26.654 -38.151 1.00 65.75 ? 459 SER A O 1 ATOM 2964 C CB . SER A 1 431 ? 16.333 24.139 -39.639 1.00 71.93 ? 459 SER A CB 1 ATOM 2965 O OG . SER A 1 431 ? 15.321 23.804 -38.721 1.00 98.60 ? 459 SER A OG 1 ATOM 2966 N N . LEU A 1 432 ? 15.478 26.861 -37.996 1.00 72.65 ? 460 LEU A N 1 ATOM 2967 C CA . LEU A 1 432 ? 15.555 27.545 -36.707 1.00 73.84 ? 460 LEU A CA 1 ATOM 2968 C C . LEU A 1 432 ? 16.248 26.685 -35.671 1.00 81.81 ? 460 LEU A C 1 ATOM 2969 O O . LEU A 1 432 ? 16.000 25.478 -35.578 1.00 86.25 ? 460 LEU A O 1 ATOM 2970 C CB . LEU A 1 432 ? 14.166 27.881 -36.180 1.00 72.68 ? 460 LEU A CB 1 ATOM 2971 C CG . LEU A 1 432 ? 13.359 28.982 -36.847 1.00 81.50 ? 460 LEU A CG 1 ATOM 2972 C CD1 . LEU A 1 432 ? 11.945 28.932 -36.345 1.00 83.40 ? 460 LEU A CD1 1 ATOM 2973 C CD2 . LEU A 1 432 ? 13.967 30.312 -36.504 1.00 88.49 ? 460 LEU A CD2 1 ATOM 2974 N N . VAL A 1 433 ? 17.042 27.323 -34.815 1.00 78.06 ? 461 VAL A N 1 ATOM 2975 C CA . VAL A 1 433 ? 17.662 26.600 -33.724 1.00 60.79 ? 461 VAL A CA 1 ATOM 2976 C C . VAL A 1 433 ? 16.624 26.632 -32.616 1.00 65.39 ? 461 VAL A C 1 ATOM 2977 O O . VAL A 1 433 ? 16.449 27.640 -31.952 1.00 71.63 ? 461 VAL A O 1 ATOM 2978 C CB . VAL A 1 433 ? 18.956 27.265 -33.277 1.00 64.08 ? 461 VAL A CB 1 ATOM 2979 C CG1 . VAL A 1 433 ? 19.600 26.449 -32.190 1.00 71.14 ? 461 VAL A CG1 1 ATOM 2980 C CG2 . VAL A 1 433 ? 19.890 27.518 -34.447 1.00 71.41 ? 461 VAL A CG2 1 ATOM 2981 N N . SER A 1 434 ? 15.907 25.528 -32.430 1.00 82.62 ? 462 SER A N 1 ATOM 2982 C CA . SER A 1 434 ? 14.919 25.512 -31.362 1.00 73.69 ? 462 SER A CA 1 ATOM 2983 C C . SER A 1 434 ? 15.393 24.810 -30.105 1.00 78.52 ? 462 SER A C 1 ATOM 2984 O O . SER A 1 434 ? 14.808 25.039 -29.042 1.00 91.35 ? 462 SER A O 1 ATOM 2985 C CB . SER A 1 434 ? 13.624 24.845 -31.826 1.00 76.84 ? 462 SER A CB 1 ATOM 2986 O OG . SER A 1 434 ? 13.848 23.464 -32.056 1.00 90.21 ? 462 SER A OG 1 ATOM 2987 N N . PHE A 1 435 ? 16.453 24.006 -30.168 1.00 78.20 ? 463 PHE A N 1 ATOM 2988 C CA . PHE A 1 435 ? 16.965 23.498 -28.906 1.00 92.75 ? 463 PHE A CA 1 ATOM 2989 C C . PHE A 1 435 ? 18.432 23.150 -29.107 1.00 82.82 ? 463 PHE A C 1 ATOM 2990 O O . PHE A 1 435 ? 18.907 23.001 -30.233 1.00 87.87 ? 463 PHE A O 1 ATOM 2991 C CB . PHE A 1 435 ? 16.153 22.297 -28.396 1.00 108.25 ? 463 PHE A CB 1 ATOM 2992 C CG . PHE A 1 435 ? 16.743 20.966 -28.708 1.00 105.53 ? 463 PHE A CG 1 ATOM 2993 C CD1 . PHE A 1 435 ? 17.348 20.241 -27.700 1.00 104.61 ? 463 PHE A CD1 1 ATOM 2994 C CD2 . PHE A 1 435 ? 16.767 20.475 -29.969 1.00 117.13 ? 463 PHE A CD2 1 ATOM 2995 C CE1 . PHE A 1 435 ? 17.909 19.038 -27.930 1.00 107.73 ? 463 PHE A CE1 1 ATOM 2996 C CE2 . PHE A 1 435 ? 17.344 19.258 -30.209 1.00 130.46 ? 463 PHE A CE2 1 ATOM 2997 C CZ . PHE A 1 435 ? 17.922 18.544 -29.183 1.00 124.37 ? 463 PHE A CZ 1 ATOM 2998 N N . THR A 1 436 ? 19.145 23.073 -27.991 1.00 70.27 ? 464 THR A N 1 ATOM 2999 C CA . THR A 1 436 ? 20.560 22.763 -27.939 1.00 65.20 ? 464 THR A CA 1 ATOM 3000 C C . THR A 1 436 ? 20.756 21.745 -26.828 1.00 74.72 ? 464 THR A C 1 ATOM 3001 O O . THR A 1 436 ? 19.925 21.640 -25.925 1.00 78.37 ? 464 THR A O 1 ATOM 3002 C CB . THR A 1 436 ? 21.386 24.023 -27.668 1.00 70.86 ? 464 THR A CB 1 ATOM 3003 O OG1 . THR A 1 436 ? 20.905 24.642 -26.471 1.00 85.60 ? 464 THR A OG1 1 ATOM 3004 C CG2 . THR A 1 436 ? 21.236 25.026 -28.779 1.00 63.66 ? 464 THR A CG2 1 ATOM 3005 N N . HIS A 1 437 ? 21.800 20.927 -26.935 1.00 74.21 ? 465 HIS A N 1 ATOM 3006 C CA . HIS A 1 437 ? 22.278 20.194 -25.766 1.00 74.93 ? 465 HIS A CA 1 ATOM 3007 C C . HIS A 1 437 ? 23.792 20.283 -25.785 1.00 66.10 ? 465 HIS A C 1 ATOM 3008 O O . HIS A 1 437 ? 24.440 19.538 -26.520 1.00 89.16 ? 465 HIS A O 1 ATOM 3009 C CB . HIS A 1 437 ? 21.798 18.736 -25.767 1.00 92.73 ? 465 HIS A CB 1 ATOM 3010 C CG . HIS A 1 437 ? 22.222 17.952 -24.556 1.00 114.80 ? 465 HIS A CG 1 ATOM 3011 N ND1 . HIS A 1 437 ? 22.238 16.572 -24.530 1.00 120.77 ? 465 HIS A ND1 1 ATOM 3012 C CD2 . HIS A 1 437 ? 22.645 18.354 -23.331 1.00 122.95 ? 465 HIS A CD2 1 ATOM 3013 C CE1 . HIS A 1 437 ? 22.660 16.160 -23.347 1.00 125.80 ? 465 HIS A CE1 1 ATOM 3014 N NE2 . HIS A 1 437 ? 22.911 17.221 -22.599 1.00 126.31 ? 465 HIS A NE2 1 ATOM 3015 N N . TRP A 1 438 ? 24.355 21.093 -24.900 1.00 69.66 ? 466 TRP A N 1 ATOM 3016 C CA . TRP A 1 438 ? 25.785 21.352 -24.869 1.00 71.01 ? 466 TRP A CA 1 ATOM 3017 C C . TRP A 1 438 ? 26.476 20.571 -23.745 1.00 80.31 ? 466 TRP A C 1 ATOM 3018 O O . TRP A 1 438 ? 25.909 20.339 -22.668 1.00 77.24 ? 466 TRP A O 1 ATOM 3019 C CB . TRP A 1 438 ? 26.077 22.845 -24.684 1.00 58.20 ? 466 TRP A CB 1 ATOM 3020 C CG . TRP A 1 438 ? 25.723 23.784 -25.807 1.00 59.66 ? 466 TRP A CG 1 ATOM 3021 C CD1 . TRP A 1 438 ? 24.680 24.650 -25.844 1.00 60.92 ? 466 TRP A CD1 1 ATOM 3022 C CD2 . TRP A 1 438 ? 26.443 23.980 -27.037 1.00 58.74 ? 466 TRP A CD2 1 ATOM 3023 N NE1 . TRP A 1 438 ? 24.701 25.378 -27.014 1.00 57.62 ? 466 TRP A NE1 1 ATOM 3024 C CE2 . TRP A 1 438 ? 25.771 24.973 -27.765 1.00 62.51 ? 466 TRP A CE2 1 ATOM 3025 C CE3 . TRP A 1 438 ? 27.583 23.398 -27.597 1.00 67.61 ? 466 TRP A CE3 1 ATOM 3026 C CZ2 . TRP A 1 438 ? 26.200 25.398 -29.029 1.00 70.99 ? 466 TRP A CZ2 1 ATOM 3027 C CZ3 . TRP A 1 438 ? 28.005 23.821 -28.855 1.00 63.64 ? 466 TRP A CZ3 1 ATOM 3028 C CH2 . TRP A 1 438 ? 27.314 24.807 -29.555 1.00 63.41 ? 466 TRP A CH2 1 ATOM 3029 N N . HIS A 1 439 ? 27.717 20.161 -24.009 1.00 81.93 ? 467 HIS A N 1 ATOM 3030 C CA . HIS A 1 439 ? 28.586 19.798 -22.908 1.00 84.00 ? 467 HIS A CA 1 ATOM 3031 C C . HIS A 1 439 ? 28.735 20.998 -21.974 1.00 80.10 ? 467 HIS A C 1 ATOM 3032 O O . HIS A 1 439 ? 28.668 22.156 -22.407 1.00 74.69 ? 467 HIS A O 1 ATOM 3033 C CB . HIS A 1 439 ? 29.966 19.350 -23.389 1.00 90.59 ? 467 HIS A CB 1 ATOM 3034 C CG . HIS A 1 439 ? 29.956 18.068 -24.157 1.00 110.14 ? 467 HIS A CG 1 ATOM 3035 N ND1 . HIS A 1 439 ? 29.660 16.856 -23.573 1.00 120.30 ? 467 HIS A ND1 1 ATOM 3036 C CD2 . HIS A 1 439 ? 30.216 17.805 -25.460 1.00 116.65 ? 467 HIS A CD2 1 ATOM 3037 C CE1 . HIS A 1 439 ? 29.722 15.903 -24.486 1.00 121.03 ? 467 HIS A CE1 1 ATOM 3038 N NE2 . HIS A 1 439 ? 30.055 16.453 -25.640 1.00 118.25 ? 467 HIS A NE2 1 ATOM 3039 N N . PRO A 1 440 ? 28.914 20.745 -20.685 1.00 92.79 ? 468 PRO A N 1 ATOM 3040 C CA . PRO A 1 440 ? 29.183 21.833 -19.744 1.00 86.75 ? 468 PRO A CA 1 ATOM 3041 C C . PRO A 1 440 ? 30.366 22.691 -20.179 1.00 93.60 ? 468 PRO A C 1 ATOM 3042 O O . PRO A 1 440 ? 31.275 22.235 -20.874 1.00 91.83 ? 468 PRO A O 1 ATOM 3043 C CB . PRO A 1 440 ? 29.470 21.090 -18.442 1.00 89.93 ? 468 PRO A CB 1 ATOM 3044 C CG . PRO A 1 440 ? 28.649 19.834 -18.592 1.00 88.03 ? 468 PRO A CG 1 ATOM 3045 C CD . PRO A 1 440 ? 28.722 19.454 -20.010 1.00 83.76 ? 468 PRO A CD 1 ATOM 3046 N N . PHE A 1 441 ? 30.279 23.976 -19.836 1.00 94.80 ? 469 PHE A N 1 ATOM 3047 C CA . PHE A 1 441 ? 31.229 25.040 -20.156 1.00 94.86 ? 469 PHE A CA 1 ATOM 3048 C C . PHE A 1 441 ? 31.391 25.238 -21.659 1.00 104.51 ? 469 PHE A C 1 ATOM 3049 O O . PHE A 1 441 ? 32.101 26.155 -22.086 1.00 114.56 ? 469 PHE A O 1 ATOM 3050 C CB . PHE A 1 441 ? 32.638 24.752 -19.615 1.00 94.26 ? 469 PHE A CB 1 ATOM 3051 C CG . PHE A 1 441 ? 32.709 24.393 -18.163 1.00 113.18 ? 469 PHE A CG 1 ATOM 3052 C CD1 . PHE A 1 441 ? 31.678 24.684 -17.283 1.00 120.83 ? 469 PHE A CD1 1 ATOM 3053 C CD2 . PHE A 1 441 ? 33.856 23.790 -17.668 1.00 129.40 ? 469 PHE A CD2 1 ATOM 3054 C CE1 . PHE A 1 441 ? 31.779 24.357 -15.943 1.00 125.23 ? 469 PHE A CE1 1 ATOM 3055 C CE2 . PHE A 1 441 ? 33.971 23.465 -16.329 1.00 137.93 ? 469 PHE A CE2 1 ATOM 3056 C CZ . PHE A 1 441 ? 32.928 23.746 -15.464 1.00 136.08 ? 469 PHE A CZ 1 ATOM 3057 N N . GLU A 1 442 ? 30.771 24.397 -22.476 1.00 80.81 ? 470 GLU A N 1 ATOM 3058 C CA . GLU A 1 442 ? 30.623 24.687 -23.897 1.00 83.94 ? 470 GLU A CA 1 ATOM 3059 C C . GLU A 1 442 ? 29.429 25.576 -24.238 1.00 80.00 ? 470 GLU A C 1 ATOM 3060 O O . GLU A 1 442 ? 28.463 25.615 -23.489 1.00 83.40 ? 470 GLU A O 1 ATOM 3061 C CB . GLU A 1 442 ? 30.639 23.387 -24.705 1.00 76.74 ? 470 GLU A CB 1 ATOM 3062 C CG . GLU A 1 442 ? 31.850 22.495 -24.305 1.00 80.59 ? 470 GLU A CG 1 ATOM 3063 C CD . GLU A 1 442 ? 33.198 23.002 -24.846 1.00 89.31 ? 470 GLU A CD 1 ATOM 3064 O OE1 . GLU A 1 442 ? 33.207 23.792 -25.803 1.00 97.00 ? 470 GLU A OE1 1 ATOM 3065 O OE2 . GLU A 1 442 ? 34.262 22.581 -24.345 1.00 91.81 ? 470 GLU A OE2 1 ATOM 3066 N N . PRO A 1 443 ? 29.465 26.246 -25.405 1.00 81.02 ? 471 PRO A N 1 ATOM 3067 C CA . PRO A 1 443 ? 30.572 26.473 -26.354 1.00 79.01 ? 471 PRO A CA 1 ATOM 3068 C C . PRO A 1 443 ? 31.575 27.459 -25.741 1.00 91.05 ? 471 PRO A C 1 ATOM 3069 O O . PRO A 1 443 ? 31.152 28.528 -25.282 1.00 88.46 ? 471 PRO A O 1 ATOM 3070 C CB . PRO A 1 443 ? 29.850 27.011 -27.586 1.00 68.91 ? 471 PRO A CB 1 ATOM 3071 C CG . PRO A 1 443 ? 28.695 27.737 -27.037 1.00 69.60 ? 471 PRO A CG 1 ATOM 3072 C CD . PRO A 1 443 ? 28.276 27.035 -25.761 1.00 70.09 ? 471 PRO A CD 1 ATOM 3073 N N . ASN A 1 444 ? 32.874 27.137 -25.713 1.00 95.20 ? 472 ASN A N 1 ATOM 3074 C CA . ASN A 1 444 ? 33.854 28.114 -25.255 1.00 99.61 ? 472 ASN A CA 1 ATOM 3075 C C . ASN A 1 444 ? 34.792 28.787 -26.252 1.00 106.13 ? 472 ASN A C 1 ATOM 3076 O O . ASN A 1 444 ? 35.434 29.752 -25.825 1.00 121.32 ? 472 ASN A O 1 ATOM 3077 C CB . ASN A 1 444 ? 34.751 27.449 -24.205 1.00 103.36 ? 472 ASN A CB 1 ATOM 3078 C CG . ASN A 1 444 ? 35.170 26.047 -24.601 1.00 109.53 ? 472 ASN A CG 1 ATOM 3079 O OD1 . ASN A 1 444 ? 35.633 25.822 -25.715 1.00 112.72 ? 472 ASN A OD1 1 ATOM 3080 N ND2 . ASN A 1 444 ? 35.042 25.103 -23.678 1.00 117.36 ? 472 ASN A ND2 1 ATOM 3081 N N . ASN A 1 445 ? 34.815 28.452 -27.556 1.00 103.57 ? 473 ASN A N 1 ATOM 3082 C CA . ASN A 1 445 ? 35.936 28.991 -28.350 1.00 95.02 ? 473 ASN A CA 1 ATOM 3083 C C . ASN A 1 445 ? 37.183 28.766 -27.488 1.00 102.09 ? 473 ASN A C 1 ATOM 3084 O O . ASN A 1 445 ? 37.805 29.738 -27.055 1.00 103.46 ? 473 ASN A O 1 ATOM 3085 C CB . ASN A 1 445 ? 35.765 30.473 -28.707 1.00 90.94 ? 473 ASN A CB 1 ATOM 3086 C CG . ASN A 1 445 ? 34.854 30.685 -29.884 1.00 83.59 ? 473 ASN A CG 1 ATOM 3087 O OD1 . ASN A 1 445 ? 34.713 29.801 -30.724 1.00 83.63 ? 473 ASN A OD1 1 ATOM 3088 N ND2 . ASN A 1 445 ? 34.238 31.861 -29.966 1.00 74.63 ? 473 ASN A ND2 1 ATOM 3089 N N . PHE A 1 446 ? 37.669 27.529 -27.406 1.00 101.36 ? 474 PHE A N 1 ATOM 3090 C CA . PHE A 1 446 ? 38.597 27.144 -26.346 1.00 102.42 ? 474 PHE A CA 1 ATOM 3091 C C . PHE A 1 446 ? 39.973 27.782 -26.447 1.00 106.12 ? 474 PHE A C 1 ATOM 3092 O O . PHE A 1 446 ? 40.545 27.932 -27.532 1.00 109.90 ? 474 PHE A O 1 ATOM 3093 C CB . PHE A 1 446 ? 38.751 25.622 -26.355 1.00 102.20 ? 474 PHE A CB 1 ATOM 3094 C CG . PHE A 1 446 ? 39.594 25.085 -25.235 1.00 113.63 ? 474 PHE A CG 1 ATOM 3095 C CD1 . PHE A 1 446 ? 39.034 24.836 -23.994 1.00 116.99 ? 474 PHE A CD1 1 ATOM 3096 C CD2 . PHE A 1 446 ? 40.939 24.830 -25.420 1.00 116.15 ? 474 PHE A CD2 1 ATOM 3097 C CE1 . PHE A 1 446 ? 39.791 24.337 -22.966 1.00 119.04 ? 474 PHE A CE1 1 ATOM 3098 C CE2 . PHE A 1 446 ? 41.701 24.341 -24.394 1.00 124.38 ? 474 PHE A CE2 1 ATOM 3099 C CZ . PHE A 1 446 ? 41.127 24.092 -23.164 1.00 126.92 ? 474 PHE A CZ 1 ATOM 3100 N N . ARG A 1 447 ? 40.490 28.155 -25.266 1.00 103.18 ? 475 ARG A N 1 ATOM 3101 C CA . ARG A 1 447 ? 41.808 28.756 -25.105 1.00 109.97 ? 475 ARG A CA 1 ATOM 3102 C C . ARG A 1 447 ? 41.915 29.984 -25.998 1.00 118.37 ? 475 ARG A C 1 ATOM 3103 O O . ARG A 1 447 ? 42.985 30.320 -26.501 1.00 124.86 ? 475 ARG A O 1 ATOM 3104 C CB . ARG A 1 447 ? 42.933 27.757 -25.380 1.00 112.75 ? 475 ARG A CB 1 ATOM 3105 N N . ASP A 1 448 ? 40.779 30.652 -26.192 1.00 110.32 ? 476 ASP A N 1 ATOM 3106 C CA . ASP A 1 448 ? 40.625 31.769 -27.120 1.00 113.09 ? 476 ASP A CA 1 ATOM 3107 C C . ASP A 1 448 ? 41.201 31.419 -28.495 1.00 119.70 ? 476 ASP A C 1 ATOM 3108 O O . ASP A 1 448 ? 42.238 31.916 -28.930 1.00 128.19 ? 476 ASP A O 1 ATOM 3109 C CB . ASP A 1 448 ? 41.224 33.050 -26.530 1.00 118.90 ? 476 ASP A CB 1 ATOM 3110 C CG . ASP A 1 448 ? 40.372 33.601 -25.397 1.00 135.06 ? 476 ASP A CG 1 ATOM 3111 O OD1 . ASP A 1 448 ? 39.191 33.189 -25.325 1.00 146.29 ? 476 ASP A OD1 1 ATOM 3112 O OD2 . ASP A 1 448 ? 40.862 34.413 -24.578 1.00 138.03 ? 476 ASP A OD2 1 ATOM 3113 N N . SER A 1 449 ? 40.485 30.508 -29.151 1.00 113.73 ? 477 SER A N 1 ATOM 3114 C CA . SER A 1 449 ? 40.711 30.142 -30.538 1.00 111.42 ? 477 SER A CA 1 ATOM 3115 C C . SER A 1 449 ? 39.355 30.090 -31.219 1.00 110.71 ? 477 SER A C 1 ATOM 3116 O O . SER A 1 449 ? 38.330 29.882 -30.567 1.00 113.78 ? 477 SER A O 1 ATOM 3117 C CB . SER A 1 449 ? 41.410 28.782 -30.675 1.00 117.13 ? 477 SER A CB 1 ATOM 3118 O OG . SER A 1 449 ? 40.572 27.724 -30.232 1.00 117.86 ? 477 SER A OG 1 ATOM 3119 N N . LEU A 1 450 ? 39.345 30.278 -32.537 1.00 104.06 ? 478 LEU A N 1 ATOM 3120 C CA . LEU A 1 450 ? 38.087 30.165 -33.264 1.00 89.75 ? 478 LEU A CA 1 ATOM 3121 C C . LEU A 1 450 ? 37.656 28.710 -33.249 1.00 83.35 ? 478 LEU A C 1 ATOM 3122 O O . LEU A 1 450 ? 38.394 27.836 -33.710 1.00 81.29 ? 478 LEU A O 1 ATOM 3123 C CB . LEU A 1 450 ? 38.236 30.673 -34.700 1.00 85.04 ? 478 LEU A CB 1 ATOM 3124 C CG . LEU A 1 450 ? 38.445 32.190 -34.818 1.00 90.54 ? 478 LEU A CG 1 ATOM 3125 C CD1 . LEU A 1 450 ? 38.832 32.616 -36.227 1.00 88.31 ? 478 LEU A CD1 1 ATOM 3126 C CD2 . LEU A 1 450 ? 37.181 32.938 -34.368 1.00 89.50 ? 478 LEU A CD2 1 ATOM 3127 N N . GLU A 1 451 ? 36.492 28.442 -32.666 1.00 73.62 ? 479 GLU A N 1 ATOM 3128 C CA . GLU A 1 451 ? 35.839 27.144 -32.793 1.00 69.56 ? 479 GLU A CA 1 ATOM 3129 C C . GLU A 1 451 ? 34.471 27.459 -33.379 1.00 71.08 ? 479 GLU A C 1 ATOM 3130 O O . GLU A 1 451 ? 33.557 27.899 -32.671 1.00 69.50 ? 479 GLU A O 1 ATOM 3131 C CB . GLU A 1 451 ? 35.758 26.394 -31.456 1.00 69.46 ? 479 GLU A CB 1 ATOM 3132 C CG . GLU A 1 451 ? 37.103 25.835 -30.933 1.00 74.02 ? 479 GLU A CG 1 ATOM 3133 C CD . GLU A 1 451 ? 36.998 25.117 -29.573 1.00 80.60 ? 479 GLU A CD 1 ATOM 3134 O OE1 . GLU A 1 451 ? 36.023 25.340 -28.809 1.00 77.47 ? 479 GLU A OE1 1 ATOM 3135 O OE2 . GLU A 1 451 ? 37.877 24.278 -29.291 1.00 88.28 ? 479 GLU A OE2 1 ATOM 3136 N N . ASP A 1 452 ? 34.343 27.210 -34.675 1.00 71.13 ? 480 ASP A N 1 ATOM 3137 C CA . ASP A 1 452 ? 33.189 27.644 -35.423 1.00 69.06 ? 480 ASP A CA 1 ATOM 3138 C C . ASP A 1 452 ? 32.209 26.533 -35.779 1.00 61.82 ? 480 ASP A C 1 ATOM 3139 O O . ASP A 1 452 ? 31.163 26.842 -36.356 1.00 58.58 ? 480 ASP A O 1 ATOM 3140 C CB . ASP A 1 452 ? 33.655 28.414 -36.665 1.00 82.23 ? 480 ASP A CB 1 ATOM 3141 C CG . ASP A 1 452 ? 34.357 29.737 -36.289 1.00 86.46 ? 480 ASP A CG 1 ATOM 3142 O OD1 . ASP A 1 452 ? 34.189 30.156 -35.122 1.00 73.60 ? 480 ASP A OD1 1 ATOM 3143 O OD2 . ASP A 1 452 ? 35.074 30.342 -37.131 1.00 87.66 ? 480 ASP A OD2 1 ATOM 3144 N N . CYS A 1 453 ? 32.471 25.264 -35.426 1.00 56.82 ? 481 CYS A N 1 ATOM 3145 C CA . CYS A 1 453 ? 31.569 24.207 -35.885 1.00 62.39 ? 481 CYS A CA 1 ATOM 3146 C C . CYS A 1 453 ? 31.301 23.212 -34.772 1.00 60.59 ? 481 CYS A C 1 ATOM 3147 O O . CYS A 1 453 ? 32.187 22.930 -33.976 1.00 59.94 ? 481 CYS A O 1 ATOM 3148 C CB . CYS A 1 453 ? 32.157 23.465 -37.094 1.00 59.48 ? 481 CYS A CB 1 ATOM 3149 S SG . CYS A 1 453 ? 32.447 24.534 -38.531 1.00 70.55 ? 481 CYS A SG 1 ATOM 3150 N N . VAL A 1 454 ? 30.105 22.621 -34.757 1.00 61.45 ? 482 VAL A N 1 ATOM 3151 C CA . VAL A 1 454 ? 29.648 21.856 -33.594 1.00 65.60 ? 482 VAL A CA 1 ATOM 3152 C C . VAL A 1 454 ? 29.720 20.366 -33.892 1.00 63.51 ? 482 VAL A C 1 ATOM 3153 O O . VAL A 1 454 ? 29.309 19.916 -34.961 1.00 71.11 ? 482 VAL A O 1 ATOM 3154 C CB . VAL A 1 454 ? 28.224 22.277 -33.181 1.00 65.35 ? 482 VAL A CB 1 ATOM 3155 C CG1 . VAL A 1 454 ? 27.717 21.428 -32.047 1.00 56.23 ? 482 VAL A CG1 1 ATOM 3156 C CG2 . VAL A 1 454 ? 28.220 23.734 -32.792 1.00 58.86 ? 482 VAL A CG2 1 ATOM 3157 N N . THR A 1 455 ? 30.236 19.597 -32.940 1.00 69.71 ? 483 THR A N 1 ATOM 3158 C CA . THR A 1 455 ? 30.302 18.147 -33.009 1.00 76.01 ? 483 THR A CA 1 ATOM 3159 C C . THR A 1 455 ? 29.441 17.562 -31.910 1.00 77.94 ? 483 THR A C 1 ATOM 3160 O O . THR A 1 455 ? 29.333 18.149 -30.828 1.00 85.37 ? 483 THR A O 1 ATOM 3161 C CB . THR A 1 455 ? 31.713 17.623 -32.770 1.00 86.41 ? 483 THR A CB 1 ATOM 3162 O OG1 . THR A 1 455 ? 32.086 17.916 -31.419 1.00 94.58 ? 483 THR A OG1 1 ATOM 3163 C CG2 . THR A 1 455 ? 32.688 18.302 -33.661 1.00 91.68 ? 483 THR A CG2 1 ATOM 3164 N N . ILE A 1 456 ? 28.858 16.391 -32.170 1.00 73.75 ? 484 ILE A N 1 ATOM 3165 C CA . ILE A 1 456 ? 28.415 15.536 -31.075 1.00 79.04 ? 484 ILE A CA 1 ATOM 3166 C C . ILE A 1 456 ? 29.599 14.707 -30.598 1.00 92.84 ? 484 ILE A C 1 ATOM 3167 O O . ILE A 1 456 ? 30.436 14.260 -31.395 1.00 100.28 ? 484 ILE A O 1 ATOM 3168 C CB . ILE A 1 456 ? 27.226 14.643 -31.474 1.00 75.15 ? 484 ILE A CB 1 ATOM 3169 C CG1 . ILE A 1 456 ? 25.957 15.452 -31.608 1.00 80.62 ? 484 ILE A CG1 1 ATOM 3170 C CG2 . ILE A 1 456 ? 26.916 13.627 -30.399 1.00 71.64 ? 484 ILE A CG2 1 ATOM 3171 C CD1 . ILE A 1 456 ? 24.778 14.583 -32.017 1.00 87.21 ? 484 ILE A CD1 1 ATOM 3172 N N . TRP A 1 457 ? 29.656 14.508 -29.281 1.00 99.41 ? 485 TRP A N 1 ATOM 3173 C CA . TRP A 1 457 ? 30.784 13.960 -28.546 1.00 105.51 ? 485 TRP A CA 1 ATOM 3174 C C . TRP A 1 457 ? 30.230 13.139 -27.391 1.00 109.09 ? 485 TRP A C 1 ATOM 3175 O O . TRP A 1 457 ? 29.186 13.478 -26.832 1.00 116.83 ? 485 TRP A O 1 ATOM 3176 C CB . TRP A 1 457 ? 31.683 15.102 -28.035 1.00 112.88 ? 485 TRP A CB 1 ATOM 3177 C CG . TRP A 1 457 ? 32.717 14.763 -26.985 1.00 120.28 ? 485 TRP A CG 1 ATOM 3178 C CD1 . TRP A 1 457 ? 32.588 14.935 -25.635 1.00 120.78 ? 485 TRP A CD1 1 ATOM 3179 C CD2 . TRP A 1 457 ? 34.056 14.283 -27.197 1.00 128.01 ? 485 TRP A CD2 1 ATOM 3180 N NE1 . TRP A 1 457 ? 33.737 14.549 -24.994 1.00 129.78 ? 485 TRP A NE1 1 ATOM 3181 C CE2 . TRP A 1 457 ? 34.657 14.148 -25.930 1.00 135.46 ? 485 TRP A CE2 1 ATOM 3182 C CE3 . TRP A 1 457 ? 34.796 13.933 -28.329 1.00 123.60 ? 485 TRP A CE3 1 ATOM 3183 C CZ2 . TRP A 1 457 ? 35.966 13.679 -25.769 1.00 138.42 ? 485 TRP A CZ2 1 ATOM 3184 C CZ3 . TRP A 1 457 ? 36.097 13.471 -28.164 1.00 124.38 ? 485 TRP A CZ3 1 ATOM 3185 C CH2 . TRP A 1 457 ? 36.665 13.347 -26.899 1.00 130.42 ? 485 TRP A CH2 1 ATOM 3186 N N . GLY A 1 458 ? 30.905 12.039 -27.076 1.00 107.71 ? 486 GLY A N 1 ATOM 3187 C CA . GLY A 1 458 ? 30.663 11.282 -25.868 1.00 98.07 ? 486 GLY A CA 1 ATOM 3188 C C . GLY A 1 458 ? 29.339 10.542 -25.811 1.00 92.12 ? 486 GLY A C 1 ATOM 3189 O O . GLY A 1 458 ? 28.473 10.682 -26.685 1.00 80.28 ? 486 GLY A O 1 ATOM 3190 N N . PRO A 1 459 ? 29.153 9.756 -24.740 1.00 103.72 ? 487 PRO A N 1 ATOM 3191 C CA . PRO A 1 459 ? 27.948 8.911 -24.650 1.00 112.08 ? 487 PRO A CA 1 ATOM 3192 C C . PRO A 1 459 ? 26.656 9.690 -24.824 1.00 120.01 ? 487 PRO A C 1 ATOM 3193 O O . PRO A 1 459 ? 25.787 9.291 -25.617 1.00 110.81 ? 487 PRO A O 1 ATOM 3194 C CB . PRO A 1 459 ? 28.055 8.317 -23.236 1.00 112.45 ? 487 PRO A CB 1 ATOM 3195 C CG . PRO A 1 459 ? 29.516 8.335 -22.918 1.00 117.46 ? 487 PRO A CG 1 ATOM 3196 C CD . PRO A 1 459 ? 30.056 9.569 -23.588 1.00 115.16 ? 487 PRO A CD 1 ATOM 3197 N N . GLU A 1 460 ? 26.540 10.838 -24.135 1.00 120.60 ? 488 GLU A N 1 ATOM 3198 C CA . GLU A 1 460 ? 25.270 11.520 -23.934 1.00 125.71 ? 488 GLU A CA 1 ATOM 3199 C C . GLU A 1 460 ? 24.823 12.313 -25.143 1.00 122.96 ? 488 GLU A C 1 ATOM 3200 O O . GLU A 1 460 ? 23.650 12.696 -25.209 1.00 124.11 ? 488 GLU A O 1 ATOM 3201 C CB . GLU A 1 460 ? 25.407 12.528 -22.786 1.00 132.69 ? 488 GLU A CB 1 ATOM 3202 C CG . GLU A 1 460 ? 25.399 11.952 -21.396 1.00 141.60 ? 488 GLU A CG 1 ATOM 3203 C CD . GLU A 1 460 ? 26.792 11.529 -20.960 1.00 145.64 ? 488 GLU A CD 1 ATOM 3204 O OE1 . GLU A 1 460 ? 27.698 11.456 -21.825 1.00 142.59 ? 488 GLU A OE1 1 ATOM 3205 O OE2 . GLU A 1 460 ? 26.984 11.278 -19.752 1.00 151.26 ? 488 GLU A OE2 1 ATOM 3206 N N . GLY A 1 461 ? 25.702 12.510 -26.117 1.00 120.73 ? 489 GLY A N 1 ATOM 3207 C CA . GLY A 1 461 ? 25.337 13.238 -27.309 1.00 115.27 ? 489 GLY A CA 1 ATOM 3208 C C . GLY A 1 461 ? 25.309 14.731 -27.097 1.00 102.81 ? 489 GLY A C 1 ATOM 3209 O O . GLY A 1 461 ? 24.696 15.446 -27.892 1.00 96.18 ? 489 GLY A O 1 ATOM 3210 N N . ARG A 1 462 ? 25.970 15.227 -26.052 1.00 104.07 ? 490 ARG A N 1 ATOM 3211 C CA . ARG A 1 462 ? 26.111 16.660 -25.849 1.00 102.02 ? 490 ARG A CA 1 ATOM 3212 C C . ARG A 1 462 ? 27.126 17.234 -26.836 1.00 93.60 ? 490 ARG A C 1 ATOM 3213 O O . ARG A 1 462 ? 27.948 16.518 -27.411 1.00 90.25 ? 490 ARG A O 1 ATOM 3214 C CB . ARG A 1 462 ? 26.501 16.961 -24.396 1.00 98.61 ? 490 ARG A CB 1 ATOM 3215 N N . TRP A 1 463 ? 27.052 18.550 -27.036 1.00 84.18 ? 491 TRP A N 1 ATOM 3216 C CA . TRP A 1 463 ? 27.650 19.195 -28.192 1.00 68.35 ? 491 TRP A CA 1 ATOM 3217 C C . TRP A 1 463 ? 28.868 20.012 -27.793 1.00 71.43 ? 491 TRP A C 1 ATOM 3218 O O . TRP A 1 463 ? 28.940 20.562 -26.692 1.00 77.46 ? 491 TRP A O 1 ATOM 3219 C CB . TRP A 1 463 ? 26.631 20.099 -28.883 1.00 68.21 ? 491 TRP A CB 1 ATOM 3220 C CG . TRP A 1 463 ? 25.415 19.364 -29.318 1.00 69.48 ? 491 TRP A CG 1 ATOM 3221 C CD1 . TRP A 1 463 ? 25.221 18.011 -29.300 1.00 71.10 ? 491 TRP A CD1 1 ATOM 3222 C CD2 . TRP A 1 463 ? 24.186 19.939 -29.766 1.00 62.55 ? 491 TRP A CD2 1 ATOM 3223 N NE1 . TRP A 1 463 ? 23.951 17.706 -29.726 1.00 70.88 ? 491 TRP A NE1 1 ATOM 3224 C CE2 . TRP A 1 463 ? 23.293 18.872 -30.020 1.00 64.29 ? 491 TRP A CE2 1 ATOM 3225 C CE3 . TRP A 1 463 ? 23.760 21.250 -30.003 1.00 55.93 ? 491 TRP A CE3 1 ATOM 3226 C CZ2 . TRP A 1 463 ? 22.003 19.077 -30.494 1.00 60.34 ? 491 TRP A CZ2 1 ATOM 3227 C CZ3 . TRP A 1 463 ? 22.475 21.457 -30.469 1.00 60.90 ? 491 TRP A CZ3 1 ATOM 3228 C CH2 . TRP A 1 463 ? 21.609 20.377 -30.707 1.00 66.85 ? 491 TRP A CH2 1 ATOM 3229 N N . ASN A 1 464 ? 29.826 20.091 -28.707 1.00 70.55 ? 492 ASN A N 1 ATOM 3230 C CA . ASN A 1 464 ? 31.033 20.875 -28.505 1.00 75.72 ? 492 ASN A CA 1 ATOM 3231 C C . ASN A 1 464 ? 31.279 21.753 -29.718 1.00 80.61 ? 492 ASN A C 1 ATOM 3232 O O . ASN A 1 464 ? 31.024 21.340 -30.850 1.00 76.81 ? 492 ASN A O 1 ATOM 3233 C CB . ASN A 1 464 ? 32.266 19.983 -28.286 1.00 73.34 ? 492 ASN A CB 1 ATOM 3234 C CG . ASN A 1 464 ? 33.502 20.789 -27.970 1.00 76.17 ? 492 ASN A CG 1 ATOM 3235 O OD1 . ASN A 1 464 ? 33.422 21.848 -27.338 1.00 67.16 ? 492 ASN A OD1 1 ATOM 3236 N ND2 . ASN A 1 464 ? 34.654 20.315 -28.432 1.00 70.87 ? 492 ASN A ND2 1 ATOM 3237 N N . ASP A 1 465 ? 31.791 22.954 -29.491 1.00 76.68 ? 493 ASP A N 1 ATOM 3238 C CA . ASP A 1 465 ? 32.300 23.731 -30.610 1.00 78.47 ? 493 ASP A CA 1 ATOM 3239 C C . ASP A 1 465 ? 33.788 23.439 -30.830 1.00 77.57 ? 493 ASP A C 1 ATOM 3240 O O . ASP A 1 465 ? 34.554 23.247 -29.881 1.00 91.23 ? 493 ASP A O 1 ATOM 3241 C CB . ASP A 1 465 ? 32.024 25.227 -30.410 1.00 70.19 ? 493 ASP A CB 1 ATOM 3242 C CG . ASP A 1 465 ? 32.657 25.789 -29.174 1.00 68.66 ? 493 ASP A CG 1 ATOM 3243 O OD1 . ASP A 1 465 ? 33.286 25.030 -28.402 1.00 66.65 ? 493 ASP A OD1 1 ATOM 3244 O OD2 . ASP A 1 465 ? 32.509 27.016 -28.976 1.00 67.41 ? 493 ASP A OD2 1 ATOM 3245 N N . SER A 1 466 ? 34.179 23.362 -32.095 1.00 81.49 ? 494 SER A N 1 ATOM 3246 C CA . SER A 1 466 ? 35.467 22.836 -32.514 1.00 84.39 ? 494 SER A CA 1 ATOM 3247 C C . SER A 1 466 ? 35.982 23.608 -33.717 1.00 88.01 ? 494 SER A C 1 ATOM 3248 O O . SER A 1 466 ? 35.191 24.173 -34.495 1.00 90.04 ? 494 SER A O 1 ATOM 3249 C CB . SER A 1 466 ? 35.386 21.349 -32.890 1.00 71.72 ? 494 SER A CB 1 ATOM 3250 O OG . SER A 1 466 ? 34.933 20.571 -31.806 1.00 75.09 ? 494 SER A OG 1 ATOM 3251 N N . PRO A 1 467 ? 37.308 23.657 -33.883 1.00 89.40 ? 495 PRO A N 1 ATOM 3252 C CA . PRO A 1 467 ? 37.882 24.185 -35.120 1.00 87.49 ? 495 PRO A CA 1 ATOM 3253 C C . PRO A 1 467 ? 37.386 23.362 -36.285 1.00 77.85 ? 495 PRO A C 1 ATOM 3254 O O . PRO A 1 467 ? 37.305 22.136 -36.201 1.00 70.32 ? 495 PRO A O 1 ATOM 3255 C CB . PRO A 1 467 ? 39.390 24.010 -34.914 1.00 86.65 ? 495 PRO A CB 1 ATOM 3256 C CG . PRO A 1 467 ? 39.554 23.954 -33.441 1.00 86.41 ? 495 PRO A CG 1 ATOM 3257 C CD . PRO A 1 467 ? 38.356 23.212 -32.950 1.00 86.09 ? 495 PRO A CD 1 ATOM 3258 N N . CYS A 1 468 ? 37.033 24.050 -37.365 1.00 78.64 ? 496 CYS A N 1 ATOM 3259 C CA . CYS A 1 468 ? 36.371 23.371 -38.464 1.00 71.93 ? 496 CYS A CA 1 ATOM 3260 C C . CYS A 1 468 ? 37.347 22.624 -39.363 1.00 76.15 ? 496 CYS A C 1 ATOM 3261 O O . CYS A 1 468 ? 36.910 21.784 -40.157 1.00 75.27 ? 496 CYS A O 1 ATOM 3262 C CB . CYS A 1 468 ? 35.549 24.367 -39.280 1.00 75.17 ? 496 CYS A CB 1 ATOM 3263 S SG . CYS A 1 468 ? 34.324 25.339 -38.301 1.00 111.58 ? 496 CYS A SG 1 ATOM 3264 N N . ASN A 1 469 ? 38.651 22.854 -39.238 1.00 80.46 ? 497 ASN A N 1 ATOM 3265 C CA . ASN A 1 469 ? 39.560 22.074 -40.074 1.00 79.20 ? 497 ASN A CA 1 ATOM 3266 C C . ASN A 1 469 ? 39.846 20.702 -39.482 1.00 75.73 ? 497 ASN A C 1 ATOM 3267 O O . ASN A 1 469 ? 40.664 19.964 -40.021 1.00 77.94 ? 497 ASN A O 1 ATOM 3268 C CB . ASN A 1 469 ? 40.861 22.851 -40.395 1.00 91.71 ? 497 ASN A CB 1 ATOM 3269 C CG . ASN A 1 469 ? 41.639 23.339 -39.158 1.00 119.15 ? 497 ASN A CG 1 ATOM 3270 O OD1 . ASN A 1 469 ? 41.156 23.268 -38.024 1.00 123.99 ? 497 ASN A OD1 1 ATOM 3271 N ND2 . ASN A 1 469 ? 42.866 23.875 -39.410 1.00 141.06 ? 497 ASN A ND2 1 ATOM 3272 N N . GLN A 1 470 ? 39.169 20.334 -38.402 1.00 74.12 ? 498 GLN A N 1 ATOM 3273 C CA . GLN A 1 470 ? 39.372 19.030 -37.794 1.00 76.17 ? 498 GLN A CA 1 ATOM 3274 C C . GLN A 1 470 ? 38.652 17.940 -38.569 1.00 66.20 ? 498 GLN A C 1 ATOM 3275 O O . GLN A 1 470 ? 37.519 18.113 -39.014 1.00 71.19 ? 498 GLN A O 1 ATOM 3276 C CB . GLN A 1 470 ? 38.887 19.052 -36.348 1.00 92.58 ? 498 GLN A CB 1 ATOM 3277 C CG . GLN A 1 470 ? 39.138 17.767 -35.618 1.00 108.65 ? 498 GLN A CG 1 ATOM 3278 C CD . GLN A 1 470 ? 38.984 17.925 -34.135 1.00 119.84 ? 498 GLN A CD 1 ATOM 3279 O OE1 . GLN A 1 470 ? 38.796 19.036 -33.635 1.00 122.55 ? 498 GLN A OE1 1 ATOM 3280 N NE2 . GLN A 1 470 ? 39.075 16.814 -33.410 1.00 126.07 ? 498 GLN A NE2 1 ATOM 3281 N N . SER A 1 471 ? 39.292 16.798 -38.685 1.00 70.69 ? 499 SER A N 1 ATOM 3282 C CA . SER A 1 471 ? 38.846 15.747 -39.589 1.00 77.31 ? 499 SER A CA 1 ATOM 3283 C C . SER A 1 471 ? 38.085 14.676 -38.812 1.00 85.56 ? 499 SER A C 1 ATOM 3284 O O . SER A 1 471 ? 38.693 13.876 -38.094 1.00 98.37 ? 499 SER A O 1 ATOM 3285 C CB . SER A 1 471 ? 40.050 15.149 -40.305 1.00 68.45 ? 499 SER A CB 1 ATOM 3286 O OG . SER A 1 471 ? 39.629 14.064 -41.101 1.00 83.60 ? 499 SER A OG 1 ATOM 3287 N N . LEU A 1 472 ? 36.757 14.621 -39.004 1.00 72.83 ? 500 LEU A N 1 ATOM 3288 C CA . LEU A 1 472 ? 35.889 13.738 -38.230 1.00 67.80 ? 500 LEU A CA 1 ATOM 3289 C C . LEU A 1 472 ? 34.795 13.142 -39.108 1.00 65.55 ? 500 LEU A C 1 ATOM 3290 O O . LEU A 1 472 ? 34.607 13.585 -40.247 1.00 62.39 ? 500 LEU A O 1 ATOM 3291 C CB . LEU A 1 472 ? 35.233 14.544 -37.106 1.00 60.26 ? 500 LEU A CB 1 ATOM 3292 C CG . LEU A 1 472 ? 36.167 15.266 -36.145 1.00 58.61 ? 500 LEU A CG 1 ATOM 3293 C CD1 . LEU A 1 472 ? 35.374 16.265 -35.374 1.00 52.03 ? 500 LEU A CD1 1 ATOM 3294 C CD2 . LEU A 1 472 ? 36.755 14.258 -35.206 1.00 65.77 ? 500 LEU A CD2 1 ATOM 3295 N N . PRO A 1 473 ? 34.010 12.201 -38.600 1.00 72.86 ? 501 PRO A N 1 ATOM 3296 C CA . PRO A 1 473 ? 32.839 11.708 -39.340 1.00 76.75 ? 501 PRO A CA 1 ATOM 3297 C C . PRO A 1 473 ? 31.671 12.675 -39.170 1.00 71.74 ? 501 PRO A C 1 ATOM 3298 O O . PRO A 1 473 ? 31.810 13.721 -38.543 1.00 76.72 ? 501 PRO A O 1 ATOM 3299 C CB . PRO A 1 473 ? 32.565 10.351 -38.691 1.00 79.79 ? 501 PRO A CB 1 ATOM 3300 C CG . PRO A 1 473 ? 33.905 9.940 -38.118 1.00 78.56 ? 501 PRO A CG 1 ATOM 3301 C CD . PRO A 1 473 ? 34.511 11.209 -37.631 1.00 70.87 ? 501 PRO A CD 1 ATOM 3302 N N . SER A 1 474 ? 30.514 12.323 -39.742 1.00 72.50 ? 502 SER A N 1 ATOM 3303 C CA . SER A 1 474 ? 29.365 13.233 -39.689 1.00 71.08 ? 502 SER A CA 1 ATOM 3304 C C . SER A 1 474 ? 28.065 12.466 -39.914 1.00 71.70 ? 502 SER A C 1 ATOM 3305 O O . SER A 1 474 ? 28.084 11.276 -40.225 1.00 69.13 ? 502 SER A O 1 ATOM 3306 C CB . SER A 1 474 ? 29.499 14.340 -40.734 1.00 70.73 ? 502 SER A CB 1 ATOM 3307 O OG . SER A 1 474 ? 29.477 13.774 -42.034 1.00 76.82 ? 502 SER A OG 1 ATOM 3308 N N . ILE A 1 475 ? 26.928 13.176 -39.785 1.00 62.47 ? 503 ILE A N 1 ATOM 3309 C CA . ILE A 1 475 ? 25.591 12.601 -39.978 1.00 66.03 ? 503 ILE A CA 1 ATOM 3310 C C . ILE A 1 475 ? 24.739 13.542 -40.838 1.00 71.29 ? 503 ILE A C 1 ATOM 3311 O O . ILE A 1 475 ? 24.781 14.763 -40.652 1.00 65.67 ? 503 ILE A O 1 ATOM 3312 C CB . ILE A 1 475 ? 24.889 12.329 -38.627 1.00 72.11 ? 503 ILE A CB 1 ATOM 3313 C CG1 . ILE A 1 475 ? 25.681 11.317 -37.805 1.00 83.01 ? 503 ILE A CG1 1 ATOM 3314 C CG2 . ILE A 1 475 ? 23.467 11.794 -38.840 1.00 63.80 ? 503 ILE A CG2 1 ATOM 3315 C CD1 . ILE A 1 475 ? 25.186 11.163 -36.386 1.00 89.62 ? 503 ILE A CD1 1 ATOM 3316 N N . CYS A 1 476 ? 23.954 12.976 -41.775 1.00 69.73 ? 504 CYS A N 1 ATOM 3317 C CA . CYS A 1 476 ? 23.111 13.769 -42.673 1.00 73.27 ? 504 CYS A CA 1 ATOM 3318 C C . CYS A 1 476 ? 21.639 13.466 -42.423 1.00 78.08 ? 504 CYS A C 1 ATOM 3319 O O . CYS A 1 476 ? 21.282 12.389 -41.932 1.00 86.67 ? 504 CYS A O 1 ATOM 3320 C CB . CYS A 1 476 ? 23.337 13.478 -44.177 1.00 67.84 ? 504 CYS A CB 1 ATOM 3321 S SG . CYS A 1 476 ? 24.953 13.506 -44.843 1.00 89.99 ? 504 CYS A SG 1 ATOM 3322 N N . LYS A 1 477 ? 20.784 14.405 -42.846 1.00 72.59 ? 505 LYS A N 1 ATOM 3323 C CA . LYS A 1 477 ? 19.342 14.198 -42.889 1.00 88.03 ? 505 LYS A CA 1 ATOM 3324 C C . LYS A 1 477 ? 18.756 14.879 -44.120 1.00 90.64 ? 505 LYS A C 1 ATOM 3325 O O . LYS A 1 477 ? 19.247 15.926 -44.558 1.00 87.61 ? 505 LYS A O 1 ATOM 3326 C CB . LYS A 1 477 ? 18.621 14.723 -41.613 1.00 97.33 ? 505 LYS A CB 1 ATOM 3327 C CG . LYS A 1 477 ? 18.819 13.853 -40.357 1.00 98.77 ? 505 LYS A CG 1 ATOM 3328 C CD . LYS A 1 477 ? 17.968 14.302 -39.149 1.00 103.83 ? 505 LYS A CD 1 ATOM 3329 C CE . LYS A 1 477 ? 16.493 13.949 -39.246 1.00 105.38 ? 505 LYS A CE 1 ATOM 3330 N NZ . LYS A 1 477 ? 16.229 12.478 -39.232 1.00 101.08 ? 505 LYS A NZ 1 ATOM 3331 N N . LYS A 1 478 ? 17.692 14.262 -44.667 1.00 83.46 ? 506 LYS A N 1 ATOM 3332 C CA . LYS A 1 478 ? 16.819 14.860 -45.700 1.00 75.64 ? 506 LYS A CA 1 ATOM 3333 C C . LYS A 1 478 ? 15.315 14.742 -45.372 1.00 75.01 ? 506 LYS A C 1 ATOM 3334 O O . LYS A 1 478 ? 14.813 13.669 -44.995 1.00 74.57 ? 506 LYS A O 1 ATOM 3335 C CB . LYS A 1 478 ? 17.071 14.211 -47.054 1.00 85.21 ? 506 LYS A CB 1 HETATM 3336 CA CA . CA B 2 . ? 33.012 30.141 -32.435 1.00 68.32 ? 601 CA A CA 1 HETATM 3337 CA CA . CA C 2 . ? 34.883 23.752 -27.395 1.00 77.08 ? 602 CA A CA 1 HETATM 3338 NA NA . NA D 3 . ? 31.937 36.685 -12.350 1.00 91.12 ? 603 NA A NA 1 HETATM 3339 C C1 . NAG E 4 . ? -23.965 28.436 0.443 1.00 117.32 ? 604 NAG A C1 1 HETATM 3340 C C2 . NAG E 4 . ? -24.765 27.703 -0.663 1.00 133.97 ? 604 NAG A C2 1 HETATM 3341 C C3 . NAG E 4 . ? -25.695 28.680 -1.407 1.00 137.99 ? 604 NAG A C3 1 HETATM 3342 C C4 . NAG E 4 . ? -26.527 29.511 -0.434 1.00 140.11 ? 604 NAG A C4 1 HETATM 3343 C C5 . NAG E 4 . ? -25.607 30.210 0.555 1.00 129.75 ? 604 NAG A C5 1 HETATM 3344 C C6 . NAG E 4 . ? -26.346 31.049 1.573 1.00 126.02 ? 604 NAG A C6 1 HETATM 3345 C C7 . NAG E 4 . ? -23.890 25.759 -1.907 1.00 143.92 ? 604 NAG A C7 1 HETATM 3346 C C8 . NAG E 4 . ? -22.861 25.289 -2.900 1.00 138.47 ? 604 NAG A C8 1 HETATM 3347 N N2 . NAG E 4 . ? -23.855 27.062 -1.602 1.00 141.78 ? 604 NAG A N2 1 HETATM 3348 O O3 . NAG E 4 . ? -26.545 27.963 -2.298 1.00 133.52 ? 604 NAG A O3 1 HETATM 3349 O O4 . NAG E 4 . ? -27.301 30.488 -1.124 1.00 144.30 ? 604 NAG A O4 1 HETATM 3350 O O5 . NAG E 4 . ? -24.871 29.215 1.277 1.00 123.32 ? 604 NAG A O5 1 HETATM 3351 O O6 . NAG E 4 . ? -26.848 32.244 0.990 1.00 125.32 ? 604 NAG A O6 1 HETATM 3352 O O7 . NAG E 4 . ? -24.712 24.995 -1.407 1.00 145.61 ? 604 NAG A O7 1 HETATM 3353 C C1 . NAG F 4 . ? 43.872 24.484 -38.535 1.00 107.95 ? 605 NAG A C1 1 HETATM 3354 C C2 . NAG F 4 . ? 45.093 23.594 -38.203 1.00 117.00 ? 605 NAG A C2 1 HETATM 3355 C C3 . NAG F 4 . ? 46.137 24.380 -37.398 1.00 120.13 ? 605 NAG A C3 1 HETATM 3356 C C4 . NAG F 4 . ? 46.520 25.670 -38.112 1.00 125.41 ? 605 NAG A C4 1 HETATM 3357 C C5 . NAG F 4 . ? 45.269 26.504 -38.378 1.00 126.04 ? 605 NAG A C5 1 HETATM 3358 C C6 . NAG F 4 . ? 45.543 27.794 -39.132 1.00 124.13 ? 605 NAG A C6 1 HETATM 3359 C C7 . NAG F 4 . ? 44.429 21.235 -38.066 1.00 118.10 ? 605 NAG A C7 1 HETATM 3360 C C8 . NAG F 4 . ? 44.006 20.117 -37.160 1.00 112.34 ? 605 NAG A C8 1 HETATM 3361 N N2 . NAG F 4 . ? 44.681 22.406 -37.474 1.00 120.52 ? 605 NAG A N2 1 HETATM 3362 O O3 . NAG F 4 . ? 47.303 23.590 -37.190 1.00 120.67 ? 605 NAG A O3 1 HETATM 3363 O O4 . NAG F 4 . ? 47.441 26.401 -37.308 1.00 125.73 ? 605 NAG A O4 1 HETATM 3364 O O5 . NAG F 4 . ? 44.329 25.742 -39.157 1.00 121.29 ? 605 NAG A O5 1 HETATM 3365 O O6 . NAG F 4 . ? 46.084 27.582 -40.430 1.00 120.44 ? 605 NAG A O6 1 HETATM 3366 O O7 . NAG F 4 . ? 44.538 21.086 -39.279 1.00 120.87 ? 605 NAG A O7 1 HETATM 3367 O OH2 . 1PE G 5 . ? 28.955 55.827 -27.414 1.00 114.92 ? 606 1PE A OH2 1 HETATM 3368 C C12 . 1PE G 5 . ? 29.820 54.872 -28.040 1.00 114.29 ? 606 1PE A C12 1 HETATM 3369 C C22 . 1PE G 5 . ? 29.337 53.465 -27.709 1.00 113.75 ? 606 1PE A C22 1 HETATM 3370 O OH3 . 1PE G 5 . ? 29.694 53.192 -26.359 1.00 112.52 ? 606 1PE A OH3 1 HETATM 3371 C C13 . 1PE G 5 . ? 30.955 51.534 -25.191 1.00 108.80 ? 606 1PE A C13 1 HETATM 3372 C C23 . 1PE G 5 . ? 29.737 51.796 -26.074 1.00 109.23 ? 606 1PE A C23 1 HETATM 3373 O OH4 . 1PE G 5 . ? 30.878 50.222 -24.633 1.00 112.02 ? 606 1PE A OH4 1 HETATM 3374 C C14 . 1PE G 5 . ? 31.842 48.840 -22.863 1.00 102.02 ? 606 1PE A C14 1 HETATM 3375 C C24 . 1PE G 5 . ? 32.103 49.823 -24.008 1.00 108.91 ? 606 1PE A C24 1 HETATM 3376 O OH5 . 1PE G 5 . ? 32.962 47.969 -22.692 1.00 101.00 ? 606 1PE A OH5 1 HETATM 3377 C C15 . 1PE G 5 . ? 34.574 46.986 -21.173 1.00 109.42 ? 606 1PE A C15 1 HETATM 3378 C C25 . 1PE G 5 . ? 33.187 47.603 -21.328 1.00 100.35 ? 606 1PE A C25 1 HETATM 3379 O OH6 . 1PE G 5 . ? 35.131 47.370 -19.913 1.00 121.95 ? 606 1PE A OH6 1 HETATM 3380 C C16 . 1PE G 5 . ? 37.056 47.487 -18.450 1.00 112.63 ? 606 1PE A C16 1 HETATM 3381 C C26 . 1PE G 5 . ? 36.549 47.178 -19.854 1.00 120.82 ? 606 1PE A C26 1 HETATM 3382 O OH7 . 1PE G 5 . ? 36.212 46.811 -17.508 1.00 111.42 ? 606 1PE A OH7 1 HETATM 3383 C C48 . PE5 H 6 . ? -6.134 59.042 0.230 1.00 106.81 ? 607 PE5 A C48 1 HETATM 3384 C C50 . PE5 H 6 . ? -4.788 58.440 0.648 1.00 112.50 ? 607 PE5 A C50 1 HETATM 3385 O O1 . PE5 H 6 . ? -4.175 57.767 -0.427 1.00 114.85 ? 607 PE5 A O1 1 HETATM 3386 C C1 . PE5 H 6 . ? -3.674 56.499 -0.095 1.00 116.35 ? 607 PE5 A C1 1 HETATM 3387 C C2 . PE5 H 6 . ? -2.270 56.261 -0.650 1.00 118.74 ? 607 PE5 A C2 1 HETATM 3388 O O2 . PE5 H 6 . ? -2.147 54.952 -1.151 1.00 119.49 ? 607 PE5 A O2 1 HETATM 3389 C C3 . PE5 H 6 . ? -1.116 54.774 -2.089 1.00 112.58 ? 607 PE5 A C3 1 HETATM 3390 C C4 . PE5 H 6 . ? -1.213 55.857 -3.174 1.00 107.07 ? 607 PE5 A C4 1 HETATM 3391 O O3 . PE5 H 6 . ? 0.064 56.376 -3.450 1.00 106.08 ? 607 PE5 A O3 1 HETATM 3392 C C5 . PE5 H 6 . ? 0.092 57.434 -4.371 1.00 106.45 ? 607 PE5 A C5 1 HETATM 3393 C C6 . PE5 H 6 . ? 1.155 57.213 -5.459 1.00 105.88 ? 607 PE5 A C6 1 HETATM 3394 O O4 . PE5 H 6 . ? 0.568 57.332 -6.732 1.00 104.49 ? 607 PE5 A O4 1 HETATM 3395 C C7 . PE5 H 6 . ? 1.366 56.945 -7.819 1.00 109.56 ? 607 PE5 A C7 1 HETATM 3396 C C8 . PE5 H 6 . ? 1.087 57.836 -9.040 1.00 110.85 ? 607 PE5 A C8 1 HETATM 3397 O O5 . PE5 H 6 . ? 2.285 58.348 -9.566 1.00 113.69 ? 607 PE5 A O5 1 HETATM 3398 C C9 . PE5 H 6 . ? 3.144 58.933 -8.617 1.00 118.11 ? 607 PE5 A C9 1 HETATM 3399 C C10 . PE5 H 6 . ? 4.534 58.289 -8.648 1.00 120.85 ? 607 PE5 A C10 1 HETATM 3400 O O6 . PE5 H 6 . ? 5.126 58.497 -9.899 1.00 126.92 ? 607 PE5 A O6 1 HETATM 3401 C C11 . PE5 H 6 . ? 5.369 57.328 -10.636 1.00 128.79 ? 607 PE5 A C11 1 HETATM 3402 C C12 . PE5 H 6 . ? 5.107 57.572 -12.128 1.00 129.42 ? 607 PE5 A C12 1 HETATM 3403 O O7 . PE5 H 6 . ? 5.975 56.788 -12.905 1.00 125.11 ? 607 PE5 A O7 1 HETATM 3404 C C13 . PE5 H 6 . ? 5.487 56.449 -14.171 1.00 118.28 ? 607 PE5 A C13 1 HETATM 3405 C C14 . PE5 H 6 . ? 5.226 54.944 -14.221 1.00 114.47 ? 607 PE5 A C14 1 HETATM 3406 O O8 . PE5 H 6 . ? 4.059 54.688 -14.956 1.00 115.68 ? 607 PE5 A O8 1 HETATM 3407 C C15 . PE5 H 6 . ? 3.674 53.338 -15.007 1.00 116.16 ? 607 PE5 A C15 1 HETATM 3408 C C16 . PE5 H 6 . ? 3.414 52.789 -13.599 1.00 118.12 ? 607 PE5 A C16 1 HETATM 3409 O O52 . PE5 H 6 . ? 2.266 53.369 -13.033 1.00 116.02 ? 607 PE5 A O52 1 HETATM 3410 O O . HOH I 7 . ? -13.944 25.031 6.662 1.00 62.10 ? 701 HOH A O 1 HETATM 3411 O O . HOH I 7 . ? 25.626 14.369 -55.842 1.00 56.36 ? 702 HOH A O 1 HETATM 3412 O O . HOH I 7 . ? 3.425 31.812 7.934 1.00 65.59 ? 703 HOH A O 1 HETATM 3413 O O . HOH I 7 . ? 32.290 29.235 -30.542 1.00 61.23 ? 704 HOH A O 1 HETATM 3414 O O . HOH I 7 . ? 27.395 38.985 -28.976 1.00 59.95 ? 705 HOH A O 1 HETATM 3415 O O . HOH I 7 . ? 13.338 35.987 -24.592 1.00 65.19 ? 706 HOH A O 1 HETATM 3416 O O . HOH I 7 . ? 21.181 17.426 -51.291 1.00 80.31 ? 707 HOH A O 1 HETATM 3417 O O . HOH I 7 . ? 37.338 21.954 -28.109 1.00 77.18 ? 708 HOH A O 1 HETATM 3418 O O . HOH I 7 . ? -2.057 31.036 1.607 1.00 59.02 ? 709 HOH A O 1 HETATM 3419 O O . HOH I 7 . ? 33.408 36.404 -24.046 1.00 64.02 ? 710 HOH A O 1 HETATM 3420 O O . HOH I 7 . ? 15.323 5.656 -44.411 1.00 99.00 ? 711 HOH A O 1 HETATM 3421 O O . HOH I 7 . ? 9.941 32.698 -14.014 1.00 60.63 ? 712 HOH A O 1 HETATM 3422 O O . HOH I 7 . ? 4.434 34.266 -28.343 1.00 70.77 ? 713 HOH A O 1 HETATM 3423 O O . HOH I 7 . ? 15.010 32.405 -18.808 1.00 58.06 ? 714 HOH A O 1 HETATM 3424 O O . HOH I 7 . ? 14.052 43.506 -1.529 1.00 68.57 ? 715 HOH A O 1 HETATM 3425 O O . HOH I 7 . ? 28.535 9.161 -30.210 1.00 76.98 ? 716 HOH A O 1 HETATM 3426 O O . HOH I 7 . ? 36.760 26.556 -40.531 1.00 57.55 ? 717 HOH A O 1 HETATM 3427 O O . HOH I 7 . ? 13.563 27.863 -9.774 1.00 85.48 ? 718 HOH A O 1 HETATM 3428 O O . HOH I 7 . ? 24.036 25.311 -48.109 1.00 85.46 ? 719 HOH A O 1 HETATM 3429 O O . HOH I 7 . ? 28.901 28.948 -21.889 1.00 61.91 ? 720 HOH A O 1 HETATM 3430 O O . HOH I 7 . ? 27.628 47.052 -13.932 1.00 77.26 ? 721 HOH A O 1 HETATM 3431 O O . HOH I 7 . ? 17.664 49.994 -4.963 1.00 69.43 ? 722 HOH A O 1 HETATM 3432 O O . HOH I 7 . ? -8.221 40.985 -1.148 1.00 68.71 ? 723 HOH A O 1 HETATM 3433 O O . HOH I 7 . ? 30.637 35.254 -25.617 1.00 70.86 ? 724 HOH A O 1 HETATM 3434 O O . HOH I 7 . ? 39.945 6.170 -26.648 1.00 91.75 ? 725 HOH A O 1 HETATM 3435 O O . HOH I 7 . ? 37.301 22.862 -25.907 1.00 76.85 ? 726 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ALA A 9 ? 1.2328 1.4746 1.1002 -0.1710 0.3176 -0.1183 37 ALA A N 2 C CA . ALA A 9 ? 1.3607 1.5981 1.2130 -0.1718 0.3374 -0.1065 37 ALA A CA 3 C C . ALA A 9 ? 1.5736 1.8325 1.4415 -0.1943 0.3319 -0.1316 37 ALA A C 4 O O . ALA A 9 ? 1.6172 1.9119 1.4793 -0.1958 0.3346 -0.1246 37 ALA A O 5 C CB . ALA A 9 ? 1.3394 1.5141 1.1771 -0.1682 0.3613 -0.0987 37 ALA A CB 6 N N . LEU A 10 ? 1.5666 1.8056 1.4543 -0.2112 0.3248 -0.1602 38 LEU A N 7 C CA . LEU A 10 ? 1.4222 1.6733 1.3260 -0.2321 0.3218 -0.1853 38 LEU A CA 8 C C . LEU A 10 ? 1.3623 1.6477 1.2888 -0.2405 0.2997 -0.2069 38 LEU A C 9 O O . LEU A 10 ? 1.3825 1.6781 1.3122 -0.2312 0.2872 -0.2032 38 LEU A O 10 C CB . LEU A 10 ? 1.2042 1.4111 1.1136 -0.2445 0.3319 -0.2005 38 LEU A CB 11 C CG . LEU A 10 ? 1.0885 1.2540 0.9756 -0.2412 0.3579 -0.1839 38 LEU A CG 12 C CD1 . LEU A 10 ? 0.9736 1.0942 0.8656 -0.2542 0.3659 -0.2007 38 LEU A CD1 13 C CD2 . LEU A 10 ? 0.9896 1.1710 0.8698 -0.2476 0.3698 -0.1794 38 LEU A CD2 14 N N . PRO A 11 ? 1.3315 1.6317 1.2738 -0.2565 0.2944 -0.2285 39 PRO A N 15 C CA . PRO A 11 ? 1.2067 1.5273 1.1714 -0.2633 0.2756 -0.2496 39 PRO A CA 16 C C . PRO A 11 ? 1.3137 1.6107 1.2965 -0.2684 0.2728 -0.2676 39 PRO A C 17 O O . PRO A 11 ? 1.5024 1.7671 1.4814 -0.2696 0.2826 -0.2663 39 PRO A O 18 C CB . PRO A 11 ? 1.1792 1.5182 1.1508 -0.2750 0.2719 -0.2614 39 PRO A CB 19 C CG . PRO A 11 ? 1.2316 1.5493 1.1928 -0.2788 0.2883 -0.2550 39 PRO A CG 20 C CD . PRO A 11 ? 1.2687 1.5696 1.2073 -0.2650 0.3026 -0.2294 39 PRO A CD 21 N N . GLU A 12 ? 1.1258 1.4379 1.1283 -0.2706 0.2576 -0.2833 40 GLU A N 22 C CA . GLU A 12 ? 0.8707 1.1684 0.8920 -0.2721 0.2526 -0.2980 40 GLU A CA 23 C C . GLU A 12 ? 0.8331 1.1476 0.8773 -0.2779 0.2398 -0.3170 40 GLU A C 24 O O . GLU A 12 ? 0.8294 1.1520 0.8847 -0.2725 0.2296 -0.3214 40 GLU A O 25 C CB . GLU A 12 ? 0.7743 1.0598 0.7913 -0.2575 0.2450 -0.2858 40 GLU A CB 26 N N . PRO A 13 ? 0.8945 1.2120 0.9458 -0.2882 0.2414 -0.3280 41 PRO A N 27 C CA . PRO A 13 ? 0.8313 1.1639 0.8995 -0.2919 0.2320 -0.3431 41 PRO A CA 28 C C . PRO A 13 ? 0.7147 1.0433 0.8045 -0.2878 0.2246 -0.3545 41 PRO A C 29 O O . PRO A 13 ? 0.7025 1.0401 0.8042 -0.2865 0.2179 -0.3632 41 PRO A O 30 C CB . PRO A 13 ? 0.8134 1.1467 0.8820 -0.3021 0.2378 -0.3505 41 PRO A CB 31 C CG . PRO A 13 ? 0.8911 1.2142 0.9402 -0.3040 0.2496 -0.3366 41 PRO A CG 32 C CD . PRO A 13 ? 0.8659 1.1719 0.9093 -0.2965 0.2531 -0.3268 41 PRO A CD 33 N N . ASN A 14 ? 0.7675 1.0829 0.8625 -0.2863 0.2270 -0.3549 42 ASN A N 34 C CA . ASN A 14 ? 0.8301 1.1458 0.9453 -0.2818 0.2201 -0.3651 42 ASN A CA 35 C C . ASN A 14 ? 0.8366 1.1496 0.9565 -0.2712 0.2142 -0.3594 42 ASN A C 36 O O . ASN A 14 ? 0.9281 1.2424 1.0641 -0.2654 0.2085 -0.3657 42 ASN A O 37 C CB . ASN A 14 ? 0.9211 1.2297 1.0396 -0.2879 0.2252 -0.3723 42 ASN A CB 38 C CG . ASN A 14 ? 1.0296 1.3443 1.1478 -0.2952 0.2288 -0.3809 42 ASN A CG 39 O OD1 . ASN A 14 ? 0.9949 1.3201 1.1260 -0.2883 0.2243 -0.3853 42 ASN A OD1 40 N ND2 . ASN A 14 ? 1.0371 1.3446 1.1422 -0.3057 0.2382 -0.3771 42 ASN A ND2 41 N N . ILE A 15 ? 0.7077 1.0180 0.8115 -0.2661 0.2155 -0.3467 43 ILE A N 42 C CA . ILE A 15 ? 0.7686 1.0754 0.8746 -0.2545 0.2095 -0.3414 43 ILE A CA 43 C C . ILE A 15 ? 0.6870 1.0082 0.8030 -0.2498 0.2003 -0.3443 43 ILE A C 44 O O . ILE A 15 ? 0.7933 1.1256 0.9039 -0.2552 0.2002 -0.3454 43 ILE A O 45 C CB . ILE A 15 ? 0.8804 1.1702 0.9620 -0.2474 0.2110 -0.3216 43 ILE A CB 46 C CG1 . ILE A 15 ? 0.9692 1.2747 1.0365 -0.2448 0.2098 -0.3109 43 ILE A CG1 47 C CG2 . ILE A 15 ? 0.8462 1.1168 0.9133 -0.2545 0.2236 -0.3173 43 ILE A CG2 48 C CD1 . ILE A 15 ? 0.9374 1.2464 1.0041 -0.2326 0.1994 -0.3018 43 ILE A CD1 49 N N . PHE A 16 ? 0.7788 1.0991 0.9092 -0.2405 0.1931 -0.3462 44 PHE A N 50 C CA . PHE A 16 ? 0.6568 0.9863 0.7986 -0.2365 0.1863 -0.3495 44 PHE A CA 51 C C . PHE A 16 ? 0.7484 1.0743 0.8926 -0.2238 0.1799 -0.3433 44 PHE A C 52 O O . PHE A 16 ? 0.7353 1.0484 0.8757 -0.2174 0.1773 -0.3359 44 PHE A O 53 C CB . PHE A 16 ? 0.5077 0.8380 0.6694 -0.2352 0.1856 -0.3581 44 PHE A CB 54 C CG . PHE A 16 ? 0.7030 1.0288 0.8770 -0.2286 0.1843 -0.3596 44 PHE A CG 55 C CD1 . PHE A 16 ? 0.7198 1.0451 0.9065 -0.2170 0.1780 -0.3577 44 PHE A CD1 56 C CD2 . PHE A 16 ? 0.8950 1.2192 1.0659 -0.2349 0.1895 -0.3637 44 PHE A CD2 57 C CE1 . PHE A 16 ? 0.7395 1.0653 0.9351 -0.2121 0.1765 -0.3602 44 PHE A CE1 58 C CE2 . PHE A 16 ? 0.8731 1.1981 1.0525 -0.2303 0.1889 -0.3664 44 PHE A CE2 59 C CZ . PHE A 16 ? 0.7698 1.0971 0.9616 -0.2192 0.1821 -0.3648 44 PHE A CZ 60 N N . LEU A 17 ? 0.6997 1.0327 0.8493 -0.2206 0.1751 -0.3438 45 LEU A N 61 C CA . LEU A 17 ? 0.4198 0.7499 0.5756 -0.2082 0.1681 -0.3392 45 LEU A CA 62 C C . LEU A 17 ? 0.6407 0.9695 0.8228 -0.2026 0.1659 -0.3461 45 LEU A C 63 O O . LEU A 17 ? 0.6654 0.9945 0.8558 -0.2067 0.1695 -0.3523 45 LEU A O 64 C CB . LEU A 17 ? 0.4878 0.8270 0.6320 -0.2084 0.1641 -0.3324 45 LEU A CB 65 C CG . LEU A 17 ? 0.7203 1.0613 0.8405 -0.2055 0.1602 -0.3141 45 LEU A CG 66 C CD1 . LEU A 17 ? 0.7565 1.1001 0.8600 -0.2141 0.1678 -0.3108 45 LEU A CD1 67 C CD2 . LEU A 17 ? 0.5976 0.9572 0.7099 -0.2069 0.1557 -0.3092 45 LEU A CD2 68 N N . ILE A 18 ? 0.8184 1.1429 1.0100 -0.1900 0.1603 -0.3425 46 ILE A N 69 C CA . ILE A 18 ? 0.8366 1.1597 1.0501 -0.1810 0.1576 -0.3461 46 ILE A CA 70 C C . ILE A 18 ? 0.8372 1.1583 1.0556 -0.1727 0.1540 -0.3427 46 ILE A C 71 O O . ILE A 18 ? 0.7940 1.1149 1.0095 -0.1641 0.1487 -0.3354 46 ILE A O 72 C CB . ILE A 18 ? 0.7866 1.1101 1.0079 -0.1731 0.1539 -0.3443 46 ILE A CB 73 C CG1 . ILE A 18 ? 0.7445 1.0698 0.9600 -0.1843 0.1591 -0.3494 46 ILE A CG1 74 C CG2 . ILE A 18 ? 0.7654 1.0910 1.0063 -0.1609 0.1504 -0.3448 46 ILE A CG2 75 C CD1 . ILE A 18 ? 0.5972 0.9236 0.8149 -0.1818 0.1573 -0.3489 46 ILE A CD1 76 N N . PHE A 19 ? 0.8242 1.1424 1.0501 -0.1753 0.1581 -0.3479 47 PHE A N 77 C CA . PHE A 19 ? 0.8768 1.1921 1.1036 -0.1734 0.1582 -0.3469 47 PHE A CA 78 C C . PHE A 19 ? 0.7462 1.0514 0.9917 -0.1613 0.1601 -0.3464 47 PHE A C 79 O O . PHE A 19 ? 0.6895 0.9902 0.9438 -0.1618 0.1669 -0.3508 47 PHE A O 80 C CB . PHE A 19 ? 0.9445 1.2647 1.1609 -0.1907 0.1649 -0.3535 47 PHE A CB 81 C CG . PHE A 19 ? 0.8358 1.1542 1.0527 -0.1931 0.1674 -0.3551 47 PHE A CG 82 C CD1 . PHE A 19 ? 0.8981 1.2261 1.1020 -0.1934 0.1619 -0.3499 47 PHE A CD1 83 C CD2 . PHE A 19 ? 0.7385 1.0454 0.9675 -0.1958 0.1766 -0.3618 47 PHE A CD2 84 C CE1 . PHE A 19 ? 0.8871 1.2149 1.0898 -0.1972 0.1648 -0.3518 47 PHE A CE1 85 C CE2 . PHE A 19 ? 0.7777 1.0813 1.0070 -0.2010 0.1815 -0.3646 47 PHE A CE2 86 C CZ . PHE A 19 ? 0.7761 1.0904 0.9915 -0.2015 0.1751 -0.3593 47 PHE A CZ 87 N N . SER A 20 ? 1.1389 1.4918 1.3461 -0.5903 0.1223 -0.3838 48 SER A N 88 C CA . SER A 20 ? 1.0715 1.4267 1.2836 -0.5896 0.1233 -0.3835 48 SER A CA 89 C C . SER A 20 ? 1.0441 1.3974 1.2599 -0.5898 0.1216 -0.3837 48 SER A C 90 O O . SER A 20 ? 0.9541 1.3065 1.1717 -0.5900 0.1199 -0.3824 48 SER A O 91 C CB . SER A 20 ? 1.0160 1.3739 1.2297 -0.5900 0.1241 -0.3814 48 SER A CB 92 O OG . SER A 20 ? 0.9511 1.3098 1.1679 -0.5913 0.1231 -0.3793 48 SER A OG 93 N N . HIS A 21 ? 1.0393 1.3923 1.2591 -0.5897 0.1218 -0.3859 49 HIS A N 94 C CA . HIS A 21 ? 1.0944 1.4455 1.3203 -0.5899 0.1197 -0.3863 49 HIS A CA 95 C C . HIS A 21 ? 1.1793 1.5317 1.4116 -0.5904 0.1170 -0.3817 49 HIS A C 96 O O . HIS A 21 ? 1.1777 1.5284 1.4150 -0.5910 0.1143 -0.3805 49 HIS A O 97 C CB . HIS A 21 ? 1.1916 1.5417 1.4223 -0.5900 0.1213 -0.3922 49 HIS A CB 98 C CG . HIS A 21 ? 1.1830 1.5312 1.4040 -0.5922 0.1244 -0.3972 49 HIS A CG 99 N ND1 . HIS A 21 ? 1.0814 1.4311 1.2947 -0.5936 0.1275 -0.3986 49 HIS A ND1 100 C CD2 . HIS A 21 ? 1.1417 1.4862 1.3582 -0.5947 0.1245 -0.4009 49 HIS A CD2 101 C CE1 . HIS A 21 ? 0.9954 1.3424 1.1986 -0.5977 0.1294 -0.4023 49 HIS A CE1 102 N NE2 . HIS A 21 ? 1.1151 1.4588 1.3193 -0.5986 0.1276 -0.4040 49 HIS A NE2 103 N N . GLY A 22 ? 1.2693 1.6241 1.5002 -0.5913 0.1172 -0.3788 50 GLY A N 104 C CA . GLY A 22 ? 1.3873 1.7430 1.6190 -0.5945 0.1147 -0.3735 50 GLY A CA 105 C C . GLY A 22 ? 1.3879 1.7451 1.6163 -0.5957 0.1167 -0.3727 50 GLY A C 106 O O . GLY A 22 ? 1.4828 1.8398 1.7145 -0.5979 0.1147 -0.3700 50 GLY A O 107 N N . LEU A 23 ? 1.2564 1.6155 1.4806 -0.5945 0.1205 -0.3752 51 LEU A N 108 C CA . LEU A 23 ? 1.0827 1.4440 1.3090 -0.5951 0.1227 -0.3760 51 LEU A CA 109 C C . LEU A 23 ? 1.1308 1.4886 1.3603 -0.5923 0.1200 -0.3774 51 LEU A C 110 O O . LEU A 23 ? 1.3402 1.6947 1.5683 -0.5914 0.1180 -0.3782 51 LEU A O 111 C CB . LEU A 23 ? 1.0976 1.4621 1.3218 -0.5954 0.1271 -0.3786 51 LEU A CB 112 C CG . LEU A 23 ? 1.1703 1.5367 1.3870 -0.5993 0.1293 -0.3776 51 LEU A CG 113 C CD1 . LEU A 23 ? 1.1570 1.5255 1.3718 -0.5991 0.1335 -0.3818 51 LEU A CD1 114 C CD2 . LEU A 23 ? 1.2755 1.6443 1.4897 -0.6054 0.1305 -0.3749 51 LEU A CD2 115 N N . GLN A 24 ? 1.0484 1.4064 1.2827 -0.5918 0.1196 -0.3782 52 GLN A N 116 C CA . GLN A 24 ? 1.0056 1.3589 1.2389 -0.5908 0.1156 -0.3787 52 GLN A CA 117 C C . GLN A 24 ? 1.0549 1.4086 1.2918 -0.5903 0.1150 -0.3795 52 GLN A C 118 O O . GLN A 24 ? 1.0437 1.3984 1.2913 -0.5902 0.1134 -0.3795 52 GLN A O 119 C CB . GLN A 24 ? 1.1119 1.4624 1.3497 -0.5916 0.1116 -0.3774 52 GLN A CB 120 C CG . GLN A 24 ? 1.2078 1.5570 1.4447 -0.5921 0.1112 -0.3770 52 GLN A CG 121 C CD . GLN A 24 ? 1.2654 1.6109 1.4959 -0.5920 0.1110 -0.3800 52 GLN A CD 122 O OE1 . GLN A 24 ? 1.2234 1.5648 1.4483 -0.5933 0.1091 -0.3818 52 GLN A OE1 123 N NE2 . GLN A 24 ? 1.3174 1.6644 1.5491 -0.5914 0.1128 -0.3809 52 GLN A NE2 124 N N . GLY A 25 ? 0.9541 1.3065 1.1841 -0.5900 0.1155 -0.3803 53 GLY A N 125 C CA . GLY A 25 ? 0.9550 1.3064 1.1890 -0.5898 0.1133 -0.3806 53 GLY A CA 126 C C . GLY A 25 ? 1.0077 1.3584 1.2325 -0.5900 0.1146 -0.3810 53 GLY A C 127 O O . GLY A 25 ? 0.9835 1.3356 1.2011 -0.5898 0.1180 -0.3817 53 GLY A O 128 N N . CYS A 26 ? 0.9576 1.3060 1.1854 -0.5904 0.1110 -0.3804 54 CYS A N 129 C CA . CYS A 26 ? 1.0756 1.4224 1.2946 -0.5914 0.1110 -0.3801 54 CYS A CA 130 C C . CYS A 26 ? 0.9577 1.3062 1.1848 -0.5901 0.1116 -0.3818 54 CYS A C 131 O O . CYS A 26 ? 0.9571 1.3067 1.1983 -0.5890 0.1106 -0.3837 54 CYS A O 132 C CB . CYS A 26 ? 1.1429 1.4834 1.3532 -0.5956 0.1047 -0.3767 54 CYS A CB 133 S SG . CYS A 26 ? 1.2735 1.6077 1.4934 -0.5983 0.0937 -0.3725 54 CYS A SG 134 N N . LEU A 27 ? 0.9574 1.3065 1.1770 -0.5903 0.1138 -0.3822 55 LEU A N 135 C CA . LEU A 27 ? 0.9558 1.3073 1.1803 -0.5891 0.1165 -0.3853 55 LEU A CA 136 C C . LEU A 27 ? 1.0824 1.4300 1.3174 -0.5894 0.1102 -0.3849 55 LEU A C 137 O O . LEU A 27 ? 1.0518 1.3940 1.2828 -0.5920 0.1032 -0.3803 55 LEU A O 138 C CB . LEU A 27 ? 0.9551 1.3077 1.1687 -0.5896 0.1195 -0.3849 55 LEU A CB 139 C CG . LEU A 27 ? 0.9830 1.3383 1.1980 -0.5893 0.1232 -0.3883 55 LEU A CG 140 C CD1 . LEU A 27 ? 0.9537 1.3130 1.1679 -0.5899 0.1284 -0.3902 55 LEU A CD1 141 C CD2 . LEU A 27 ? 0.9553 1.3100 1.1616 -0.5902 0.1232 -0.3867 55 LEU A CD2 142 N N . GLU A 28 ? 1.0650 1.4151 1.3142 -0.5879 0.1124 -0.3899 56 GLU A N 143 C CA . GLU A 28 ? 1.1569 1.5030 1.4208 -0.5879 0.1054 -0.3903 56 GLU A CA 144 C C . GLU A 28 ? 1.3064 1.6559 1.5787 -0.5866 0.1111 -0.3978 56 GLU A C 145 O O . GLU A 28 ? 1.3504 1.7056 1.6179 -0.5866 0.1207 -0.4032 56 GLU A O 146 C CB . GLU A 28 ? 1.1517 1.4958 1.4352 -0.5876 0.0988 -0.3897 56 GLU A CB 147 C CG . GLU A 28 ? 1.2229 1.5738 1.5211 -0.5855 0.1061 -0.3967 56 GLU A CG 148 C CD . GLU A 28 ? 1.3231 1.6718 1.6457 -0.5850 0.0981 -0.3961 56 GLU A CD 149 O OE1 . GLU A 28 ? 1.3257 1.6670 1.6568 -0.5864 0.0859 -0.3910 56 GLU A OE1 150 O OE2 . GLU A 28 ? 1.4192 1.7733 1.7535 -0.5839 0.1031 -0.4002 56 GLU A OE2 151 N N . ALA A 29 ? 1.2770 1.6220 1.5610 -0.5866 0.1044 -0.3980 57 ALA A N 152 C CA . ALA A 29 ? 1.2035 1.5504 1.4991 -0.5856 0.1085 -0.4063 57 ALA A CA 153 C C . ALA A 29 ? 1.2752 1.6213 1.6018 -0.5838 0.1041 -0.4114 57 ALA A C 154 O O . ALA A 29 ? 1.1938 1.5328 1.5337 -0.5843 0.0916 -0.4065 57 ALA A O 155 C CB . ALA A 29 ? 1.0648 1.4069 1.3517 -0.5868 0.1038 -0.4028 57 ALA A CB 156 N N . GLN A 30 ? 1.5276 1.8810 1.8667 -0.5827 0.1142 -0.4215 58 GLN A N 157 C CA . GLN A 30 ? 1.5815 1.9370 1.9546 -0.5806 0.1134 -0.4294 58 GLN A CA 158 C C . GLN A 30 ? 1.4585 1.8196 1.8413 -0.5806 0.1252 -0.4439 58 GLN A C 159 O O . GLN A 30 ? 1.3910 1.7568 1.7516 -0.5833 0.1366 -0.4479 58 GLN A O 160 C CB . GLN A 30 ? 1.7080 2.0692 2.0883 -0.5803 0.1178 -0.4306 58 GLN A CB 161 C CG . GLN A 30 ? 1.7847 2.1408 2.1566 -0.5809 0.1073 -0.4181 58 GLN A CG 162 C CD . GLN A 30 ? 1.8267 2.1749 2.2219 -0.5806 0.0909 -0.4121 58 GLN A CD 163 O OE1 . GLN A 30 ? 1.8684 2.2079 2.2541 -0.5829 0.0792 -0.4029 58 GLN A OE1 164 N NE2 . GLN A 30 ? 1.8224 2.1734 2.2484 -0.5789 0.0892 -0.4166 58 GLN A NE2 165 N N . GLY A 31 ? 1.3663 1.7264 1.7827 -0.5782 0.1221 -0.4521 59 GLY A N 166 C CA . GLY A 31 ? 1.3163 1.6815 1.7380 -0.5791 0.1346 -0.4670 59 GLY A CA 167 C C . GLY A 31 ? 1.3609 1.7210 1.7558 -0.5811 0.1328 -0.4622 59 GLY A C 168 O O . GLY A 31 ? 1.3878 1.7396 1.7757 -0.5805 0.1194 -0.4501 59 GLY A O 169 N N . GLY A 32 ? 1.3557 1.7209 1.7339 -0.5846 0.1462 -0.4712 60 GLY A N 170 C CA . GLY A 32 ? 1.4233 1.7846 1.7743 -0.5872 0.1452 -0.4663 60 GLY A CA 171 C C . GLY A 32 ? 1.4038 1.7661 1.7212 -0.5899 0.1467 -0.4555 60 GLY A C 172 O O . GLY A 32 ? 1.2314 1.5903 1.5276 -0.5917 0.1442 -0.4494 60 GLY A O 173 N N . GLN A 33 ? 1.5246 1.8916 1.8391 -0.5904 0.1505 -0.4535 61 GLN A N 174 C CA . GLN A 33 ? 1.5139 1.8832 1.8005 -0.5939 0.1543 -0.4467 61 GLN A CA 175 C C . GLN A 33 ? 1.2680 1.6340 1.5502 -0.5908 0.1449 -0.4339 61 GLN A C 176 O O . GLN A 33 ? 1.0881 1.4502 1.3865 -0.5874 0.1359 -0.4302 61 GLN A O 177 C CB . GLN A 33 ? 1.6118 1.9893 1.8967 -0.5988 0.1673 -0.4557 61 GLN A CB 178 C CG . GLN A 33 ? 1.5946 1.9740 1.8511 -0.6044 0.1709 -0.4494 61 GLN A CG 179 C CD . GLN A 33 ? 1.5533 1.9292 1.7871 -0.6085 0.1701 -0.4464 61 GLN A CD 180 O OE1 . GLN A 33 ? 1.5491 1.9257 1.7808 -0.6126 0.1760 -0.4555 61 GLN A OE1 181 N NE2 . GLN A 33 ? 1.4756 1.8479 1.6940 -0.6077 0.1627 -0.4342 61 GLN A NE2 182 N N . VAL A 34 ? 1.2369 1.6042 1.4979 -0.5930 0.1466 -0.4273 62 VAL A N 183 C CA . VAL A 34 ? 1.1796 1.5442 1.4337 -0.5910 0.1397 -0.4169 62 VAL A CA 184 C C . VAL A 34 ? 1.1535 1.5224 1.4025 -0.5928 0.1445 -0.4160 62 VAL A C 185 O O . VAL A 34 ? 1.1408 1.5131 1.3772 -0.5972 0.1510 -0.4179 62 VAL A O 186 C CB . VAL A 34 ? 1.1372 1.4981 1.3733 -0.5915 0.1357 -0.4095 62 VAL A CB 187 C CG1 . VAL A 34 ? 1.0639 1.4261 1.2897 -0.5950 0.1407 -0.4134 62 VAL A CG1 188 C CG2 . VAL A 34 ? 1.1324 1.4939 1.3568 -0.5918 0.1348 -0.4028 62 VAL A CG2 189 N N . ARG A 35 ? 0.8268 1.1530 0.8613 -0.4841 0.3247 -0.3696 63 ARG A N 190 C CA . ARG A 35 ? 1.0135 1.3434 1.0517 -0.4848 0.3218 -0.3652 63 ARG A CA 191 C C . ARG A 35 ? 1.0047 1.3387 1.0525 -0.4798 0.3150 -0.3618 63 ARG A C 192 O O . ARG A 35 ? 0.9806 1.3152 1.0321 -0.4758 0.3130 -0.3628 63 ARG A O 193 C CB . ARG A 35 ? 0.9740 1.3035 1.0184 -0.4848 0.3275 -0.3659 63 ARG A CB 194 C CG . ARG A 35 ? 0.9438 1.2692 0.9798 -0.4892 0.3348 -0.3706 63 ARG A CG 195 C CD . ARG A 35 ? 1.0405 1.3663 1.0803 -0.4905 0.3405 -0.3713 63 ARG A CD 196 N NE . ARG A 35 ? 1.1993 1.5208 1.2317 -0.4942 0.3477 -0.3772 63 ARG A NE 197 C CZ . ARG A 35 ? 1.4281 1.7481 1.4464 -0.5007 0.3486 -0.3788 63 ARG A CZ 198 N NH1 . ARG A 35 ? 1.4840 1.8068 1.4945 -0.5042 0.3427 -0.3745 63 ARG A NH1 199 N NH2 . ARG A 35 ? 1.5100 1.8260 1.5224 -0.5040 0.3555 -0.3849 63 ARG A NH2 200 N N . VAL A 36 ? 1.0260 1.3632 1.0779 -0.4804 0.3116 -0.3577 64 VAL A N 201 C CA . VAL A 36 ? 1.1258 1.4671 1.1878 -0.4762 0.3056 -0.3549 64 VAL A CA 202 C C . VAL A 36 ? 0.9891 1.3319 1.0632 -0.4726 0.3080 -0.3544 64 VAL A C 203 O O . VAL A 36 ? 0.9989 1.3414 1.0741 -0.4747 0.3115 -0.3534 64 VAL A O 204 C CB . VAL A 36 ? 1.2265 1.5701 1.2869 -0.4791 0.3000 -0.3507 64 VAL A CB 205 C CG1 . VAL A 36 ? 1.2259 1.5733 1.2980 -0.4750 0.2948 -0.3485 64 VAL A CG1 206 C CG2 . VAL A 36 ? 1.3282 1.6714 1.3790 -0.4816 0.2967 -0.3507 64 VAL A CG2 207 N N . THR A 37 ? 0.9283 1.2733 1.0113 -0.4673 0.3060 -0.3548 65 THR A N 208 C CA . THR A 37 ? 0.9448 1.2921 1.0399 -0.4638 0.3075 -0.3537 65 THR A CA 209 C C . THR A 37 ? 0.9595 1.3116 1.0631 -0.4611 0.3010 -0.3508 65 THR A C 210 O O . THR A 37 ? 0.9803 1.3345 1.0849 -0.4586 0.2964 -0.3514 65 THR A O 211 C CB . THR A 37 ? 0.9715 1.3179 1.0716 -0.4600 0.3114 -0.3562 65 THR A CB 212 O OG1 . THR A 37 ? 0.9308 1.2803 1.0435 -0.4567 0.3126 -0.3544 65 THR A OG1 213 C CG2 . THR A 37 ? 1.0299 1.3777 1.1295 -0.4572 0.3074 -0.3572 65 THR A CG2 214 N N . PRO A 38 ? 0.9635 1.3176 1.0732 -0.4619 0.3004 -0.3480 66 PRO A N 215 C CA . PRO A 38 ? 0.8975 1.2560 1.0166 -0.4594 0.2946 -0.3457 66 PRO A CA 216 C C . PRO A 38 ? 1.0175 1.3793 1.1464 -0.4542 0.2945 -0.3463 66 PRO A C 217 O O . PRO A 38 ? 1.1283 1.4942 1.2636 -0.4518 0.2892 -0.3455 66 PRO A O 218 C CB . PRO A 38 ? 0.8838 1.2430 1.0066 -0.4620 0.2954 -0.3425 66 PRO A CB 219 C CG . PRO A 38 ? 0.9916 1.3470 1.1034 -0.4671 0.2996 -0.3428 66 PRO A CG 220 C CD . PRO A 38 ? 0.8654 1.2179 0.9720 -0.4660 0.3045 -0.3467 66 PRO A CD 221 N N . ALA A 39 ? 1.0340 1.3943 1.1639 -0.4527 0.2999 -0.3479 67 ALA A N 222 C CA . ALA A 39 ? 1.0348 1.3981 1.1743 -0.4482 0.3008 -0.3478 67 ALA A CA 223 C C . ALA A 39 ? 1.1055 1.4700 1.2431 -0.4458 0.2978 -0.3495 67 ALA A C 224 O O . ALA A 39 ? 1.2582 1.6229 1.3995 -0.4433 0.3004 -0.3502 67 ALA A O 225 C CB . ALA A 39 ? 1.0707 1.4315 1.2127 -0.4479 0.3084 -0.3486 67 ALA A CB 226 N N . CYS A 40 ? 0.8375 1.2026 0.9692 -0.4467 0.2926 -0.3502 68 CYS A N 227 C CA . CYS A 40 ? 0.8090 1.1754 0.9372 -0.4450 0.2898 -0.3521 68 CYS A CA 228 C C . CYS A 40 ? 0.7967 1.1673 0.9336 -0.4409 0.2895 -0.3516 68 CYS A C 229 O O . CYS A 40 ? 0.7908 1.1662 0.9373 -0.4388 0.2874 -0.3496 68 CYS A O 230 C CB . CYS A 40 ? 0.8159 1.1853 0.9423 -0.4454 0.2831 -0.3522 68 CYS A CB 231 S SG . CYS A 40 ? 1.1952 1.5601 1.3097 -0.4501 0.2826 -0.3527 68 CYS A SG 232 N N . ASN A 41 ? 0.7771 1.1460 0.9107 -0.4402 0.2917 -0.3531 69 ASN A N 233 C CA . ASN A 41 ? 0.8089 1.1815 0.9505 -0.4367 0.2916 -0.3521 69 ASN A CA 234 C C . ASN A 41 ? 0.8335 1.2063 0.9690 -0.4364 0.2899 -0.3537 69 ASN A C 235 O O . ASN A 41 ? 0.8440 1.2113 0.9714 -0.4385 0.2932 -0.3557 69 ASN A O 236 C CB . ASN A 41 ? 1.0529 1.4228 1.2007 -0.4362 0.2982 -0.3512 69 ASN A CB 237 C CG . ASN A 41 ? 1.3492 1.7235 1.5075 -0.4327 0.2983 -0.3490 69 ASN A CG 238 O OD1 . ASN A 41 ? 1.2034 1.5813 1.3615 -0.4312 0.2946 -0.3488 69 ASN A OD1 239 N ND2 . ASN A 41 ? 1.7889 2.1635 1.9569 -0.4315 0.3024 -0.3470 69 ASN A ND2 240 N N . THR A 42 ? 0.7241 1.1037 0.8635 -0.4339 0.2847 -0.3529 70 THR A N 241 C CA . THR A 42 ? 0.6965 1.0776 0.8312 -0.4334 0.2827 -0.3540 70 THR A CA 242 C C . THR A 42 ? 0.8273 1.2067 0.9655 -0.4325 0.2868 -0.3530 70 THR A C 243 O O . THR A 42 ? 0.7847 1.1636 0.9180 -0.4328 0.2864 -0.3539 70 THR A O 244 C CB . THR A 42 ? 0.8553 1.2452 0.9939 -0.4312 0.2763 -0.3534 70 THR A CB 245 O OG1 . THR A 42 ? 0.9738 1.3687 1.1239 -0.4288 0.2759 -0.3506 70 THR A OG1 246 C CG2 . THR A 42 ? 0.7193 1.1108 0.8543 -0.4322 0.2722 -0.3551 70 THR A CG2 247 N N . SER A 43 ? 0.9853 1.3644 1.1331 -0.4312 0.2904 -0.3509 71 SER A N 248 C CA . SER A 43 ? 1.1448 1.5233 1.2985 -0.4299 0.2938 -0.3495 71 SER A CA 249 C C . SER A 43 ? 1.0151 1.3847 1.1648 -0.4321 0.3010 -0.3518 71 SER A C 250 O O . SER A 43 ? 0.8810 1.2489 1.0346 -0.4315 0.3042 -0.3514 71 SER A O 251 C CB . SER A 43 ? 1.3368 1.7207 1.5048 -0.4271 0.2941 -0.3455 71 SER A CB 252 O OG . SER A 43 ? 1.4804 1.8639 1.6556 -0.4259 0.2975 -0.3436 71 SER A OG 253 N N . LEU A 44 ? 1.0629 1.4272 1.2052 -0.4347 0.3035 -0.3543 72 LEU A N 254 C CA . LEU A 44 ? 0.9764 1.3328 1.1155 -0.4370 0.3109 -0.3569 72 LEU A CA 255 C C . LEU A 44 ? 0.9557 1.3071 1.0817 -0.4401 0.3113 -0.3603 72 LEU A C 256 O O . LEU A 44 ? 0.9150 1.2658 1.0308 -0.4425 0.3084 -0.3615 72 LEU A O 257 C CB . LEU A 44 ? 1.0844 1.4385 1.2227 -0.4387 0.3137 -0.3575 72 LEU A CB 258 C CG . LEU A 44 ? 1.1424 1.5018 1.2944 -0.4357 0.3134 -0.3540 72 LEU A CG 259 C CD1 . LEU A 44 ? 1.1987 1.5567 1.3505 -0.4374 0.3158 -0.3540 72 LEU A CD1 260 C CD2 . LEU A 44 ? 1.1472 1.5072 1.3110 -0.4330 0.3177 -0.3524 72 LEU A CD2 261 N N . PRO A 45 ? 0.9492 1.2969 1.0754 -0.4405 0.3150 -0.3616 73 PRO A N 262 C CA . PRO A 45 ? 0.8747 1.2180 0.9886 -0.4437 0.3154 -0.3646 73 PRO A CA 263 C C . PRO A 45 ? 0.8664 1.2043 0.9677 -0.4480 0.3175 -0.3679 73 PRO A C 264 O O . PRO A 45 ? 0.9388 1.2749 1.0287 -0.4508 0.3157 -0.3696 73 PRO A O 265 C CB . PRO A 45 ? 0.8495 1.1885 0.9686 -0.4436 0.3211 -0.3657 73 PRO A CB 266 C CG . PRO A 45 ? 0.7978 1.1423 0.9329 -0.4394 0.3207 -0.3616 73 PRO A CG 267 C CD . PRO A 45 ? 0.9463 1.2950 1.0857 -0.4378 0.3185 -0.3596 73 PRO A CD 268 N N . ALA A 46 ? 0.8758 1.2115 0.9788 -0.4490 0.3213 -0.3685 74 ALA A N 269 C CA . ALA A 46 ? 0.9778 1.3092 1.0687 -0.4537 0.3231 -0.3711 74 ALA A CA 270 C C . ALA A 46 ? 1.0189 1.3541 1.1030 -0.4546 0.3164 -0.3694 74 ALA A C 271 O O . ALA A 46 ? 0.7707 1.1032 0.8432 -0.4588 0.3165 -0.3709 74 ALA A O 272 C CB . ALA A 46 ? 0.9466 1.2756 1.0414 -0.4547 0.3290 -0.3720 74 ALA A CB 273 N N . GLN A 47 ? 0.9961 1.3379 1.0876 -0.4511 0.3108 -0.3662 75 GLN A N 274 C CA . GLN A 47 ? 0.9212 1.2667 1.0089 -0.4517 0.3048 -0.3647 75 GLN A CA 275 C C . GLN A 47 ? 0.8313 1.1804 0.9146 -0.4509 0.2991 -0.3645 75 GLN A C 276 O O . GLN A 47 ? 0.9457 1.2980 1.0260 -0.4515 0.2943 -0.3637 75 GLN A O 277 C CB . GLN A 47 ? 0.8219 1.1724 0.9205 -0.4487 0.3023 -0.3619 75 GLN A CB 278 C CG . GLN A 47 ? 0.7517 1.0997 0.8550 -0.4495 0.3076 -0.3616 75 GLN A CG 279 C CD . GLN A 47 ? 0.8105 1.1633 0.9231 -0.4474 0.3047 -0.3586 75 GLN A CD 280 O OE1 . GLN A 47 ? 0.8726 1.2308 0.9894 -0.4451 0.2989 -0.3571 75 GLN A OE1 281 N NE2 . GLN A 47 ? 0.9059 1.2573 1.0223 -0.4483 0.3088 -0.3580 75 GLN A NE2 282 N N . ARG A 48 ? 0.7947 1.1438 0.8780 -0.4498 0.2996 -0.3653 76 ARG A N 283 C CA . ARG A 48 ? 0.7247 1.0787 0.8057 -0.4485 0.2940 -0.3648 76 ARG A CA 284 C C . ARG A 48 ? 0.7514 1.1018 0.8208 -0.4518 0.2949 -0.3668 76 ARG A C 285 O O . ARG A 48 ? 0.9295 1.2744 0.9963 -0.4535 0.2998 -0.3686 76 ARG A O 286 C CB . ARG A 48 ? 0.7963 1.1553 0.8880 -0.4444 0.2926 -0.3630 76 ARG A CB 287 C CG . ARG A 48 ? 0.7218 1.0767 0.8194 -0.4439 0.2983 -0.3631 76 ARG A CG 288 C CD . ARG A 48 ? 0.8005 1.1619 0.9110 -0.4397 0.2961 -0.3599 76 ARG A CD 289 N NE . ARG A 48 ? 0.8717 1.2380 0.9822 -0.4385 0.2922 -0.3588 76 ARG A NE 290 C CZ . ARG A 48 ? 0.8540 1.2277 0.9735 -0.4354 0.2886 -0.3559 76 ARG A CZ 291 N NH1 . ARG A 48 ? 0.8439 1.2212 0.9732 -0.4331 0.2881 -0.3538 76 ARG A NH1 292 N NH2 . ARG A 48 ? 0.9049 1.2832 1.0234 -0.4348 0.2852 -0.3549 76 ARG A NH2 293 N N . TRP A 49 ? 0.7271 1.0810 0.7899 -0.4527 0.2900 -0.3666 77 TRP A N 294 C CA . TRP A 49 ? 0.7322 1.0833 0.7828 -0.4565 0.2900 -0.3680 77 TRP A CA 295 C C . TRP A 49 ? 0.8096 1.1663 0.8588 -0.4550 0.2853 -0.3676 77 TRP A C 296 O O . TRP A 49 ? 1.0209 1.3845 1.0773 -0.4514 0.2810 -0.3663 77 TRP A O 297 C CB . TRP A 49 ? 0.7350 1.0859 0.7793 -0.4594 0.2883 -0.3676 77 TRP A CB 298 C CG . TRP A 49 ? 0.7411 1.0871 0.7860 -0.4614 0.2929 -0.3678 77 TRP A CG 299 C CD1 . TRP A 49 ? 0.7385 1.0861 0.7918 -0.4596 0.2927 -0.3664 77 TRP A CD1 300 C CD2 . TRP A 49 ? 0.7943 1.1336 0.8308 -0.4659 0.2984 -0.3699 77 TRP A CD2 301 N NE1 . TRP A 49 ? 0.8946 1.2371 0.9454 -0.4626 0.2977 -0.3670 77 TRP A NE1 302 C CE2 . TRP A 49 ? 0.7794 1.1169 0.8199 -0.4665 0.3014 -0.3694 77 TRP A CE2 303 C CE3 . TRP A 49 ? 0.7878 1.1227 0.8137 -0.4698 0.3012 -0.3722 77 TRP A CE3 304 C CZ2 . TRP A 49 ? 0.8253 1.1571 0.8596 -0.4707 0.3071 -0.3714 77 TRP A CZ2 305 C CZ3 . TRP A 49 ? 0.7705 1.0995 0.7901 -0.4742 0.3069 -0.3744 77 TRP A CZ3 306 C CH2 . TRP A 49 ? 0.7716 1.0992 0.7954 -0.4746 0.3099 -0.3741 77 TRP A CH2 307 N N . LYS A 50 ? 0.8480 1.2019 0.8877 -0.4579 0.2863 -0.3688 78 LYS A N 308 C CA . LYS A 50 ? 0.8013 1.1605 0.8385 -0.4571 0.2821 -0.3683 78 LYS A CA 309 C C . LYS A 50 ? 0.8222 1.1793 0.8465 -0.4616 0.2817 -0.3691 78 LYS A C 310 O O . LYS A 50 ? 0.8326 1.1827 0.8499 -0.4654 0.2863 -0.3708 78 LYS A O 311 C CB . LYS A 50 ? 0.8174 1.1759 0.8590 -0.4557 0.2840 -0.3681 78 LYS A CB 312 C CG . LYS A 50 ? 0.8216 1.1861 0.8609 -0.4550 0.2797 -0.3672 78 LYS A CG 313 C CD . LYS A 50 ? 0.7754 1.1396 0.8199 -0.4539 0.2813 -0.3662 78 LYS A CD 314 C CE . LYS A 50 ? 0.9802 1.3522 1.0223 -0.4532 0.2760 -0.3648 78 LYS A CE 315 N NZ . LYS A 50 ? 1.0787 1.4521 1.1250 -0.4526 0.2761 -0.3630 78 LYS A NZ 316 N N . TRP A 51 ? 0.7365 1.0999 0.7580 -0.4613 0.2764 -0.3681 79 TRP A N 317 C CA . TRP A 51 ? 0.7607 1.1234 0.7706 -0.4654 0.2756 -0.3683 79 TRP A CA 318 C C . TRP A 51 ? 0.8090 1.1704 0.8149 -0.4663 0.2769 -0.3691 79 TRP A C 319 O O . TRP A 51 ? 0.7959 1.1622 0.8076 -0.4631 0.2745 -0.3683 79 TRP A O 320 C CB . TRP A 51 ? 0.7746 1.1452 0.7836 -0.4647 0.2696 -0.3670 79 TRP A CB 321 C CG . TRP A 51 ? 0.7972 1.1685 0.8078 -0.4653 0.2682 -0.3660 79 TRP A CG 322 C CD1 . TRP A 51 ? 0.9840 1.3600 1.0040 -0.4618 0.2651 -0.3654 79 TRP A CD1 323 C CD2 . TRP A 51 ? 0.7357 1.1027 0.7383 -0.4700 0.2696 -0.3652 79 TRP A CD2 324 N NE1 . TRP A 51 ? 0.9579 1.3327 0.9771 -0.4641 0.2644 -0.3641 79 TRP A NE1 325 C CE2 . TRP A 51 ? 0.9146 1.2842 0.9229 -0.4691 0.2670 -0.3637 79 TRP A CE2 326 C CE3 . TRP A 51 ? 0.9122 1.2739 0.9033 -0.4752 0.2727 -0.3657 79 TRP A CE3 327 C CZ2 . TRP A 51 ? 0.9990 1.3661 1.0023 -0.4733 0.2672 -0.3620 79 TRP A CZ2 328 C CZ3 . TRP A 51 ? 1.0047 1.3643 0.9900 -0.4794 0.2729 -0.3643 79 TRP A CZ3 329 C CH2 . TRP A 51 ? 1.0778 1.4403 1.0694 -0.4785 0.2701 -0.3621 79 TRP A CH2 330 N N . VAL A 52 ? 0.7523 1.1073 0.7482 -0.4711 0.2803 -0.3704 80 VAL A N 331 C CA . VAL A 52 ? 0.8085 1.1621 0.8001 -0.4726 0.2813 -0.3711 80 VAL A CA 332 C C . VAL A 52 ? 0.8963 1.2513 0.8758 -0.4768 0.2791 -0.3707 80 VAL A C 333 O O . VAL A 52 ? 0.9715 1.3298 0.9480 -0.4777 0.2762 -0.3695 80 VAL A O 334 C CB . VAL A 52 ? 0.8469 1.1911 0.8386 -0.4746 0.2882 -0.3736 80 VAL A CB 335 C CG1 . VAL A 52 ? 0.7505 1.0944 0.7556 -0.4702 0.2902 -0.3732 80 VAL A CG1 336 C CG2 . VAL A 52 ? 0.9765 1.3143 0.9600 -0.4792 0.2922 -0.3757 80 VAL A CG2 337 N N . SER A 53 ? 0.8010 1.1540 0.7743 -0.4793 0.2800 -0.3714 81 SER A N 338 C CA . SER A 53 ? 0.8605 1.2161 0.8228 -0.4831 0.2773 -0.3706 81 SER A CA 339 C C . SER A 53 ? 0.9156 1.2657 0.8678 -0.4885 0.2802 -0.3717 81 SER A C 340 O O . SER A 53 ? 0.8671 1.2099 0.8193 -0.4901 0.2854 -0.3740 81 SER A O 341 C CB . SER A 53 ? 0.7612 1.1155 0.7197 -0.4848 0.2781 -0.3709 81 SER A CB 342 O OG . SER A 53 ? 0.7822 1.1264 0.7365 -0.4886 0.2845 -0.3740 81 SER A OG 343 N N . ARG A 54 ? 0.8481 1.2021 0.7914 -0.4917 0.2767 -0.3700 82 ARG A N 344 C CA . ARG A 54 ? 1.0558 1.4062 0.9879 -0.4977 0.2784 -0.3703 82 ARG A CA 345 C C . ARG A 54 ? 1.1506 1.5000 1.0863 -0.4973 0.2791 -0.3697 82 ARG A C 346 O O . ARG A 54 ? 1.2684 1.6118 1.1979 -0.5016 0.2832 -0.3713 82 ARG A O 347 C CB . ARG A 54 ? 1.1103 1.4517 1.0335 -0.5029 0.2844 -0.3739 82 ARG A CB 348 C CG . ARG A 54 ? 1.1825 1.5234 1.1012 -0.5044 0.2844 -0.3746 82 ARG A CG 349 C CD . ARG A 54 ? 1.2839 1.6174 1.1893 -0.5118 0.2890 -0.3777 82 ARG A CD 350 N NE . ARG A 54 ? 1.3220 1.6459 1.2286 -0.5134 0.2964 -0.3824 82 ARG A NE 351 C CZ . ARG A 54 ? 1.1827 1.5008 1.0928 -0.5132 0.3008 -0.3854 82 ARG A CZ 352 N NH1 . ARG A 54 ? 1.1605 1.4814 1.0728 -0.5115 0.2981 -0.3837 82 ARG A NH1 353 N NH2 . ARG A 54 ? 1.0708 1.3805 0.9826 -0.5148 0.3078 -0.3900 82 ARG A NH2 354 N N . ASN A 55 ? 1.0135 1.3689 0.9597 -0.4922 0.2753 -0.3677 83 ASN A N 355 C CA . ASN A 55 ? 1.0576 1.4138 1.0086 -0.4915 0.2746 -0.3662 83 ASN A CA 356 C C . ASN A 55 ? 0.9765 1.3251 0.9301 -0.4917 0.2804 -0.3686 83 ASN A C 357 O O . ASN A 55 ? 0.9823 1.3293 0.9348 -0.4939 0.2813 -0.3678 83 ASN A O 358 C CB . ASN A 55 ? 1.0422 1.4003 0.9847 -0.4964 0.2723 -0.3636 83 ASN A CB 359 C CG . ASN A 55 ? 0.9756 1.3417 0.9166 -0.4962 0.2665 -0.3610 83 ASN A CG 360 O OD1 . ASN A 55 ? 1.0749 1.4411 1.0058 -0.5003 0.2663 -0.3607 83 ASN A OD1 361 N ND2 . ASN A 55 ? 0.9128 1.2858 0.8637 -0.4917 0.2620 -0.3592 83 ASN A ND2 362 N N . ARG A 56 ? 0.8153 1.1600 0.7735 -0.4894 0.2840 -0.3712 84 ARG A N 363 C CA . ARG A 56 ? 0.9048 1.2427 0.8664 -0.4895 0.2899 -0.3738 84 ARG A CA 364 C C . ARG A 56 ? 0.9689 1.3091 0.9446 -0.4834 0.2892 -0.3730 84 ARG A C 365 O O . ARG A 56 ? 1.0322 1.3783 1.0151 -0.4790 0.2852 -0.3716 84 ARG A O 366 C CB . ARG A 56 ? 0.7840 1.1151 0.7416 -0.4918 0.2953 -0.3775 84 ARG A CB 367 C CG . ARG A 56 ? 0.8708 1.1973 0.8138 -0.4991 0.2981 -0.3795 84 ARG A CG 368 C CD . ARG A 56 ? 0.8025 1.1227 0.7428 -0.5010 0.3030 -0.3834 84 ARG A CD 369 N NE . ARG A 56 ? 0.8004 1.1245 0.7435 -0.4983 0.2994 -0.3818 84 ARG A NE 370 C CZ . ARG A 56 ? 0.8000 1.1202 0.7415 -0.4996 0.3021 -0.3839 84 ARG A CZ 371 N NH1 . ARG A 56 ? 0.8109 1.1226 0.7483 -0.5037 0.3089 -0.3884 84 ARG A NH1 372 N NH2 . ARG A 56 ? 0.7934 1.1185 0.7378 -0.4971 0.2980 -0.3816 84 ARG A NH2 373 N N . LEU A 57 ? 0.7709 1.1073 0.7504 -0.4836 0.2929 -0.3738 85 LEU A N 374 C CA . LEU A 57 ? 0.7638 1.1022 0.7562 -0.4785 0.2926 -0.3729 85 LEU A CA 375 C C . LEU A 57 ? 0.8748 1.2072 0.8720 -0.4778 0.2989 -0.3756 85 LEU A C 376 O O . LEU A 57 ? 0.8755 1.2023 0.8694 -0.4810 0.3040 -0.3777 85 LEU A O 377 C CB . LEU A 57 ? 1.0033 1.3427 0.9977 -0.4791 0.2917 -0.3711 85 LEU A CB 378 C CG . LEU A 57 ? 1.0015 1.3470 0.9963 -0.4788 0.2856 -0.3679 85 LEU A CG 379 C CD1 . LEU A 57 ? 1.0592 1.4033 1.0409 -0.4847 0.2855 -0.3674 85 LEU A CD1 380 C CD2 . LEU A 57 ? 0.9134 1.2593 0.9154 -0.4777 0.2855 -0.3662 85 LEU A CD2 381 N N . PHE A 58 ? 0.8866 1.2208 0.8929 -0.4734 0.2983 -0.3753 86 PHE A N 382 C CA . PHE A 58 ? 0.8191 1.1482 0.8313 -0.4725 0.3040 -0.3774 86 PHE A CA 383 C C . PHE A 58 ? 0.8944 1.2251 0.9195 -0.4683 0.3048 -0.3761 86 PHE A C 384 O O . PHE A 58 ? 0.8080 1.1452 0.8396 -0.4646 0.2998 -0.3734 86 PHE A O 385 C CB . PHE A 58 ? 0.8376 1.1683 0.8520 -0.4709 0.3026 -0.3771 86 PHE A CB 386 C CG . PHE A 58 ? 1.0525 1.3776 1.0726 -0.4707 0.3085 -0.3791 86 PHE A CG 387 C CD1 . PHE A 58 ? 1.0176 1.3351 1.0294 -0.4756 0.3139 -0.3828 86 PHE A CD1 388 C CD2 . PHE A 58 ? 1.1422 1.4698 1.1759 -0.4660 0.3085 -0.3772 86 PHE A CD2 389 C CE1 . PHE A 58 ? 1.1118 1.4239 1.1295 -0.4756 0.3197 -0.3850 86 PHE A CE1 390 C CE2 . PHE A 58 ? 1.1692 1.4918 1.2093 -0.4660 0.3140 -0.3786 86 PHE A CE2 391 C CZ . PHE A 58 ? 1.0947 1.4093 1.1272 -0.4707 0.3198 -0.3827 86 PHE A CZ 392 N N . ASN A 59 ? 0.7656 1.0907 0.7939 -0.4692 0.3112 -0.3782 87 ASN A N 393 C CA . ASN A 59 ? 0.7620 1.0882 0.8027 -0.4655 0.3128 -0.3770 87 ASN A CA 394 C C . ASN A 59 ? 0.7616 1.0860 0.8124 -0.4630 0.3167 -0.3776 87 ASN A C 395 O O . ASN A 59 ? 0.9659 1.2841 1.0138 -0.4656 0.3221 -0.3807 87 ASN A O 396 C CB . ASN A 59 ? 0.7826 1.1052 0.8203 -0.4685 0.3169 -0.3785 87 ASN A CB 397 C CG . ASN A 59 ? 0.8281 1.1509 0.8781 -0.4654 0.3201 -0.3777 87 ASN A CG 398 O OD1 . ASN A 59 ? 0.8130 1.1335 0.8711 -0.4635 0.3245 -0.3788 87 ASN A OD1 399 N ND2 . ASN A 59 ? 0.9405 1.2670 0.9935 -0.4644 0.3173 -0.3753 87 ASN A ND2 400 N N . LEU A 60 ? 0.7986 1.1284 0.8615 -0.4580 0.3138 -0.3744 88 LEU A N 401 C CA . LEU A 60 ? 0.8442 1.1743 0.9175 -0.4553 0.3157 -0.3734 88 LEU A CA 402 C C . LEU A 60 ? 0.9498 1.2750 1.0319 -0.4549 0.3232 -0.3749 88 LEU A C 403 O O . LEU A 60 ? 1.0416 1.3642 1.1300 -0.4543 0.3269 -0.3753 88 LEU A O 404 C CB . LEU A 60 ? 0.8018 1.1407 0.8848 -0.4506 0.3096 -0.3691 88 LEU A CB 405 C CG . LEU A 60 ? 0.8726 1.2174 0.9520 -0.4498 0.3032 -0.3674 88 LEU A CG 406 C CD1 . LEU A 60 ? 0.8451 1.1911 0.9125 -0.4521 0.2993 -0.3684 88 LEU A CD1 407 C CD2 . LEU A 60 ? 1.0199 1.3733 1.1107 -0.4453 0.2986 -0.3636 88 LEU A CD2 408 N N . GLY A 61 ? 0.9029 1.2272 0.9866 -0.4551 0.3256 -0.3754 89 GLY A N 409 C CA . GLY A 61 ? 1.0809 1.4007 1.1725 -0.4550 0.3333 -0.3774 89 GLY A CA 410 C C . GLY A 61 ? 1.1162 1.4276 1.1990 -0.4598 0.3401 -0.3829 89 GLY A C 411 O O . GLY A 61 ? 1.0183 1.3255 1.1074 -0.4598 0.3460 -0.3851 89 GLY A O 412 N N . THR A 62 ? 0.9838 1.2931 1.0521 -0.4643 0.3392 -0.3851 90 THR A N 413 C CA . THR A 62 ? 0.9806 1.2825 1.0388 -0.4696 0.3450 -0.3906 90 THR A CA 414 C C . THR A 62 ? 0.9933 1.2928 1.0473 -0.4710 0.3445 -0.3918 90 THR A C 415 O O . THR A 62 ? 0.9714 1.2642 1.0209 -0.4748 0.3506 -0.3966 90 THR A O 416 C CB . THR A 62 ? 0.9303 1.2318 0.9741 -0.4743 0.3434 -0.3917 90 THR A CB 417 O OG1 . THR A 62 ? 0.9214 1.2284 0.9596 -0.4736 0.3351 -0.3880 90 THR A OG1 418 C CG2 . THR A 62 ? 0.8002 1.1027 0.8474 -0.4742 0.3457 -0.3913 90 THR A CG2 419 N N . MET A 63 ? 0.9604 1.2653 1.0161 -0.4681 0.3376 -0.3877 91 MET A N 420 C CA . MET A 63 ? 0.8724 1.1762 0.9221 -0.4699 0.3358 -0.3882 91 MET A CA 421 C C . MET A 63 ? 0.8723 1.1718 0.9052 -0.4761 0.3369 -0.3919 91 MET A C 422 O O . MET A 63 ? 1.0048 1.2994 1.0319 -0.4795 0.3397 -0.3950 91 MET A O 423 C CB . MET A 63 ? 0.9143 1.2139 0.9737 -0.4692 0.3413 -0.3896 91 MET A CB 424 C CG . MET A 63 ? 0.9289 1.2334 1.0051 -0.4635 0.3397 -0.3850 91 MET A CG 425 S SD . MET A 63 ? 1.1699 1.4847 1.2468 -0.4600 0.3292 -0.3789 91 MET A SD 426 C CE . MET A 63 ? 1.2574 1.5707 1.3360 -0.4610 0.3293 -0.3781 91 MET A CE 427 N N . GLN A 64 ? 0.8558 1.1574 0.8806 -0.4778 0.3343 -0.3914 92 GLN A N 428 C CA . GLN A 64 ? 0.8928 1.1912 0.9018 -0.4840 0.3351 -0.3943 92 GLN A CA 429 C C . GLN A 64 ? 0.9018 1.2065 0.9040 -0.4841 0.3276 -0.3905 92 GLN A C 430 O O . GLN A 64 ? 1.0038 1.3144 1.0138 -0.4796 0.3228 -0.3865 92 GLN A O 431 C CB . GLN A 64 ? 0.9412 1.2343 0.9483 -0.4874 0.3423 -0.3986 92 GLN A CB 432 C CG . GLN A 64 ? 1.0263 1.3126 1.0394 -0.4882 0.3507 -0.4035 92 GLN A CG 433 C CD . GLN A 64 ? 1.0795 1.3611 1.0911 -0.4916 0.3583 -0.4084 92 GLN A CD 434 O OE1 . GLN A 64 ? 1.0962 1.3807 1.1076 -0.4915 0.3574 -0.4068 92 GLN A OE1 435 N NE2 . GLN A 64 ? 1.0012 1.2758 1.0121 -0.4949 0.3660 -0.4144 92 GLN A NE2 436 N N . CYS A 65 ? 0.8056 1.1090 0.7938 -0.4896 0.3271 -0.3918 93 CYS A N 437 C CA . CYS A 65 ? 0.8597 1.1689 0.8411 -0.4904 0.3203 -0.3881 93 CYS A CA 438 C C . CYS A 65 ? 0.8937 1.2027 0.8692 -0.4940 0.3212 -0.3880 93 CYS A C 439 O O . CYS A 65 ? 0.9534 1.2572 0.9233 -0.4985 0.3271 -0.3918 93 CYS A O 440 C CB . CYS A 65 ? 1.0800 1.3899 1.0494 -0.4940 0.3172 -0.3881 93 CYS A CB 441 S SG . CYS A 65 ? 1.3259 1.6386 1.3001 -0.4902 0.3137 -0.3866 93 CYS A SG 442 N N . LEU A 66 ? 0.8892 1.2042 0.8674 -0.4919 0.3156 -0.3836 94 LEU A N 443 C CA . LEU A 66 ? 1.0562 1.3720 1.0295 -0.4953 0.3153 -0.3822 94 LEU A CA 444 C C . LEU A 66 ? 1.1325 1.4467 1.0902 -0.5023 0.3156 -0.3833 94 LEU A C 445 O O . LEU A 66 ? 1.1095 1.4250 1.0613 -0.5033 0.3127 -0.3829 94 LEU A O 446 C CB . LEU A 66 ? 0.9130 1.2355 0.8923 -0.4920 0.3087 -0.3771 94 LEU A CB 447 C CG . LEU A 66 ? 0.9679 1.2919 0.9441 -0.4954 0.3078 -0.3745 94 LEU A CG 448 C CD1 . LEU A 66 ? 0.8042 1.1244 0.7833 -0.4964 0.3139 -0.3767 94 LEU A CD1 449 C CD2 . LEU A 66 ? 0.8818 1.2121 0.8661 -0.4916 0.3012 -0.3698 94 LEU A CD2 450 N N . GLY A 67 ? 1.2224 1.5343 1.1736 -0.5074 0.3192 -0.3847 95 GLY A N 451 C CA . GLY A 67 ? 1.3458 1.6563 1.2818 -0.5149 0.3200 -0.3859 95 GLY A CA 452 C C . GLY A 67 ? 1.4053 1.7171 1.3361 -0.5195 0.3206 -0.3843 95 GLY A C 453 O O . GLY A 67 ? 1.1500 1.4622 1.0886 -0.5176 0.3223 -0.3835 95 GLY A O 454 N N . THR A 68 ? 1.6766 1.9899 1.5941 -0.5261 0.3188 -0.3832 96 THR A N 455 C CA . THR A 68 ? 1.7551 2.0698 1.6648 -0.5323 0.3196 -0.3817 96 THR A CA 456 C C . THR A 68 ? 1.7235 2.0359 1.6173 -0.5407 0.3225 -0.3852 96 THR A C 457 O O . THR A 68 ? 1.6777 1.9885 1.5659 -0.5459 0.3270 -0.3878 96 THR A O 458 C CB . THR A 68 ? 1.8730 2.1946 1.7836 -0.5323 0.3121 -0.3739 96 THR A CB 459 O OG1 . THR A 68 ? 2.0002 2.3234 1.9033 -0.5388 0.3128 -0.3719 96 THR A OG1 460 C CG2 . THR A 68 ? 1.8703 2.1951 1.7751 -0.5331 0.3065 -0.3711 96 THR A CG2 461 N N . ALA A 77 ? 2.4227 2.0775 1.3495 -0.8720 0.1168 -0.4680 105 ALA A N 462 C CA . ALA A 77 ? 2.3828 2.1572 1.3959 -0.8741 0.1652 -0.4814 105 ALA A CA 463 C C . ALA A 77 ? 2.4695 2.3024 1.5236 -0.9014 0.1968 -0.4813 105 ALA A C 464 O O . ALA A 77 ? 2.4636 2.2717 1.4641 -0.9520 0.2051 -0.4670 105 ALA A O 465 C CB . ALA A 77 ? 2.2648 2.0949 1.3626 -0.8172 0.1641 -0.5036 105 ALA A CB 466 N N . SER A 78 ? 2.5939 2.5031 1.7406 -0.8694 0.2132 -0.4979 106 SER A N 467 C CA . SER A 78 ? 2.6992 2.6762 1.8964 -0.8883 0.2427 -0.5030 106 SER A CA 468 C C . SER A 78 ? 2.5922 2.6017 1.8613 -0.8435 0.2393 -0.5153 106 SER A C 469 O O . SER A 78 ? 2.7234 2.6871 1.9847 -0.8102 0.2118 -0.5169 106 SER A O 470 C CB . SER A 78 ? 2.7193 2.7834 1.9530 -0.9103 0.2807 -0.5142 106 SER A CB 471 O OG . SER A 78 ? 2.8342 2.8701 1.9951 -0.9585 0.2874 -0.5034 106 SER A OG 472 N N . LEU A 79 ? 2.2543 2.3420 1.5902 -0.8427 0.2654 -0.5265 107 LEU A N 473 C CA . LEU A 79 ? 1.8851 2.0005 1.2803 -0.8067 0.2640 -0.5361 107 LEU A CA 474 C C . LEU A 79 ? 1.6691 1.8703 1.1308 -0.8037 0.2908 -0.5507 107 LEU A C 475 O O . LEU A 79 ? 1.6436 1.8857 1.1096 -0.8337 0.3095 -0.5557 107 LEU A O 476 C CB . LEU A 79 ? 1.7384 1.8213 1.1207 -0.8126 0.2519 -0.5303 107 LEU A CB 477 C CG . LEU A 79 ? 1.7526 1.7540 1.0884 -0.7999 0.2190 -0.5227 107 LEU A CG 478 C CD1 . LEU A 79 ? 1.6952 1.6880 1.0331 -0.8109 0.2158 -0.5195 107 LEU A CD1 479 C CD2 . LEU A 79 ? 1.8149 1.8123 1.1756 -0.7532 0.2051 -0.5345 107 LEU A CD2 480 N N . GLY A 80 ? 1.4847 1.7118 0.9958 -0.7680 0.2909 -0.5596 108 GLY A N 481 C CA . GLY A 80 ? 1.5301 1.8237 1.0978 -0.7589 0.3075 -0.5740 108 GLY A CA 482 C C . GLY A 80 ? 1.4736 1.7730 1.0780 -0.7269 0.3022 -0.5786 108 GLY A C 483 O O . GLY A 80 ? 1.4619 1.7260 1.0547 -0.7097 0.2906 -0.5733 108 GLY A O 484 N N . MET A 81 ? 1.4278 1.7718 1.0740 -0.7194 0.3094 -0.5910 109 MET A N 485 C CA . MET A 81 ? 1.4053 1.7498 1.0773 -0.6930 0.3039 -0.5947 109 MET A CA 486 C C . MET A 81 ? 1.3041 1.6685 0.9959 -0.6791 0.3074 -0.6016 109 MET A C 487 O O . MET A 81 ? 1.2973 1.6987 1.0075 -0.6832 0.3135 -0.6133 109 MET A O 488 C CB . MET A 81 ? 1.3159 1.6819 1.0126 -0.6908 0.3010 -0.6049 109 MET A CB 489 C CG . MET A 81 ? 1.3344 1.6750 1.0144 -0.6986 0.2941 -0.5980 109 MET A CG 490 S SD . MET A 81 ? 1.4401 1.7268 1.0915 -0.6837 0.2853 -0.5847 109 MET A SD 491 C CE . MET A 81 ? 1.3849 1.6394 0.9955 -0.7042 0.2814 -0.5744 109 MET A CE 492 N N . TYR A 82 ? 1.2963 1.6396 0.9859 -0.6635 0.3035 -0.5968 110 TYR A N 493 C CA . TYR A 82 ? 1.2819 1.6366 0.9859 -0.6527 0.3049 -0.6016 110 TYR A CA 494 C C . TYR A 82 ? 1.2750 1.6146 0.9848 -0.6405 0.3009 -0.6010 110 TYR A C 495 O O . TYR A 82 ? 1.3083 1.6277 1.0062 -0.6398 0.2997 -0.5956 110 TYR A O 496 C CB . TYR A 82 ? 1.2911 1.6348 0.9790 -0.6536 0.3052 -0.5972 110 TYR A CB 497 C CG . TYR A 82 ? 1.4566 1.7980 1.1194 -0.6714 0.3072 -0.5939 110 TYR A CG 498 C CD1 . TYR A 82 ? 1.3802 1.6900 1.0106 -0.6832 0.3012 -0.5853 110 TYR A CD1 499 C CD2 . TYR A 82 ? 1.3186 1.6849 0.9835 -0.6789 0.3139 -0.5998 110 TYR A CD2 500 C CE1 . TYR A 82 ? 1.4567 1.7527 1.0504 -0.7066 0.3015 -0.5800 110 TYR A CE1 501 C CE2 . TYR A 82 ? 1.3535 1.7141 0.9847 -0.7025 0.3179 -0.5959 110 TYR A CE2 502 C CZ . TYR A 82 ? 1.5410 1.8629 1.1331 -0.7186 0.3114 -0.5847 110 TYR A CZ 503 O OH . TYR A 82 ? 1.4398 1.7440 0.9854 -0.7485 0.3136 -0.5782 110 TYR A OH 504 N N . GLU A 83 ? 1.3866 1.7330 1.1097 -0.6330 0.2983 -0.6076 111 GLU A N 505 C CA . GLU A 83 ? 1.4199 1.7440 1.1366 -0.6297 0.2953 -0.6053 111 GLU A CA 506 C C . GLU A 83 ? 1.3559 1.6750 1.0664 -0.6326 0.3026 -0.6011 111 GLU A C 507 O O . GLU A 83 ? 1.2688 1.5995 0.9840 -0.6311 0.3049 -0.6025 111 GLU A O 508 C CB . GLU A 83 ? 1.2825 1.6029 1.0054 -0.6236 0.2868 -0.6128 111 GLU A CB 509 C CG . GLU A 83 ? 1.4517 1.7603 1.1733 -0.6163 0.2714 -0.6203 111 GLU A CG 510 C CD . GLU A 83 ? 1.5791 1.8672 1.2971 -0.6074 0.2542 -0.6293 111 GLU A CD 511 O OE1 . GLU A 83 ? 1.7429 2.0314 1.4629 -0.6084 0.2564 -0.6297 111 GLU A OE1 512 O OE2 . GLU A 83 ? 1.6133 1.8779 1.3222 -0.5988 0.2345 -0.6366 111 GLU A OE2 513 N N . CYS A 84 ? 1.2867 1.5901 0.9850 -0.6365 0.3051 -0.5984 112 CYS A N 514 C CA . CYS A 84 ? 1.2874 1.5972 0.9859 -0.6378 0.3125 -0.6012 112 CYS A CA 515 C C . CYS A 84 ? 1.3213 1.6443 1.0307 -0.6422 0.3180 -0.6077 112 CYS A C 516 O O . CYS A 84 ? 1.4079 1.7486 1.1270 -0.6410 0.3232 -0.6165 112 CYS A O 517 C CB . CYS A 84 ? 1.4957 1.7914 1.1775 -0.6436 0.3164 -0.5997 112 CYS A CB 518 S SG . CYS A 84 ? 1.8066 2.0858 1.4764 -0.6391 0.3079 -0.5936 112 CYS A SG 519 N N . ASP A 85 ? 1.2899 1.6061 0.9996 -0.6460 0.3146 -0.6069 113 ASP A N 520 C CA . ASP A 85 ? 1.4616 1.7905 1.1828 -0.6512 0.3181 -0.6136 113 ASP A CA 521 C C . ASP A 85 ? 1.4254 1.7778 1.1659 -0.6393 0.3160 -0.6198 113 ASP A C 522 O O . ASP A 85 ? 1.4058 1.7766 1.1611 -0.6403 0.3183 -0.6294 113 ASP A O 523 C CB . ASP A 85 ? 1.5184 1.8258 1.2307 -0.6559 0.3097 -0.6118 113 ASP A CB 524 C CG . ASP A 85 ? 1.7056 2.0115 1.4237 -0.6410 0.2977 -0.6123 113 ASP A CG 525 O OD1 . ASP A 85 ? 1.7465 2.0617 1.4681 -0.6339 0.2979 -0.6107 113 ASP A OD1 526 O OD2 . ASP A 85 ? 1.8870 2.1833 1.6057 -0.6377 0.2875 -0.6166 113 ASP A OD2 527 N N . ARG A 86 ? 1.8693 1.6307 0.7946 -0.8637 0.1022 -0.0927 114 ARG A N 528 C CA . ARG A 86 ? 1.8697 1.6859 0.8406 -0.8537 0.0836 -0.0975 114 ARG A CA 529 C C . ARG A 86 ? 1.9625 1.8615 0.9953 -0.8618 0.0817 -0.1178 114 ARG A C 530 O O . ARG A 86 ? 1.5811 1.5251 0.6571 -0.8352 0.0600 -0.1158 114 ARG A O 531 C CB . ARG A 86 ? 1.6836 1.4976 0.6650 -0.8109 0.0574 -0.0789 114 ARG A CB 532 C CG . ARG A 86 ? 1.8555 1.6963 0.8629 -0.8031 0.0449 -0.0825 114 ARG A CG 533 C CD . ARG A 86 ? 1.9786 1.8292 1.0037 -0.7694 0.0280 -0.0721 114 ARG A CD 534 N NE . ARG A 86 ? 2.1033 1.9099 1.0981 -0.7505 0.0212 -0.0647 114 ARG A NE 535 C CZ . ARG A 86 ? 2.1127 1.9265 1.1187 -0.7304 0.0123 -0.0655 114 ARG A CZ 536 N NH1 . ARG A 86 ? 2.1052 1.9527 1.1406 -0.7279 0.0129 -0.0678 114 ARG A NH1 537 N NH2 . ARG A 86 ? 2.1768 1.9589 1.1576 -0.7128 0.0033 -0.0684 114 ARG A NH2 538 N N . GLU A 87 ? 2.3854 2.3001 1.4280 -0.8946 0.1063 -0.1393 115 GLU A N 539 C CA . GLU A 87 ? 2.5070 2.5077 1.6264 -0.8947 0.0993 -0.1663 115 GLU A CA 540 C C . GLU A 87 ? 2.4554 2.4929 1.6189 -0.8864 0.0868 -0.1850 115 GLU A C 541 O O . GLU A 87 ? 2.5529 2.5879 1.7242 -0.9105 0.1045 -0.2063 115 GLU A O 542 C CB . GLU A 87 ? 2.5796 2.5985 1.7161 -0.9299 0.1327 -0.1921 115 GLU A CB 543 N N . ALA A 88 ? 2.2578 2.3211 1.4421 -0.8473 0.0554 -0.1747 116 ALA A N 544 C CA . ALA A 88 ? 2.1210 2.1972 1.3198 -0.8170 0.0279 -0.1763 116 ALA A CA 545 C C . ALA A 88 ? 1.9811 2.0497 1.1672 -0.7882 0.0144 -0.1513 116 ALA A C 546 O O . ALA A 88 ? 1.7837 1.8535 0.9668 -0.7953 0.0253 -0.1430 116 ALA A O 547 C CB . ALA A 88 ? 1.9063 1.9348 1.0681 -0.8204 0.0281 -0.1643 116 ALA A CB 548 N N . LEU A 89 ? 2.1661 2.2220 1.3411 -0.7578 -0.0054 -0.1415 117 LEU A N 549 C CA . LEU A 89 ? 2.1727 2.2119 1.3326 -0.7363 -0.0092 -0.1201 117 LEU A CA 550 C C . LEU A 89 ? 2.2007 2.2805 1.3890 -0.7289 -0.0158 -0.1327 117 LEU A C 551 O O . LEU A 89 ? 2.3345 2.4437 1.5433 -0.7142 -0.0346 -0.1572 117 LEU A O 552 C CB . LEU A 89 ? 2.0902 2.0966 1.2291 -0.7446 0.0065 -0.0978 117 LEU A CB 553 C CG . LEU A 89 ? 2.1239 2.0886 1.2362 -0.7394 0.0088 -0.0848 117 LEU A CG 554 C CD1 . LEU A 89 ? 2.2189 2.1706 1.3194 -0.7553 0.0103 -0.0924 117 LEU A CD1 555 C CD2 . LEU A 89 ? 2.0847 2.0298 1.1875 -0.7375 0.0163 -0.0734 117 LEU A CD2 556 N N . ASN A 90 ? 2.1008 2.1836 1.2916 -0.7337 -0.0051 -0.1207 118 ASN A N 557 C CA . ASN A 90 ? 1.9244 2.0499 1.1457 -0.7318 -0.0086 -0.1355 118 ASN A CA 558 C C . ASN A 90 ? 1.7682 1.9005 0.9935 -0.7586 0.0130 -0.1337 118 ASN A C 559 O O . ASN A 90 ? 1.8085 1.9657 1.0530 -0.7837 0.0260 -0.1557 118 ASN A O 560 C CB . ASN A 90 ? 1.9579 2.0721 1.1679 -0.7051 -0.0191 -0.1235 118 ASN A CB 561 C CG . ASN A 90 ? 2.0108 2.1652 1.2488 -0.6994 -0.0248 -0.1370 118 ASN A CG 562 O OD1 . ASN A 90 ? 2.0718 2.2719 1.3460 -0.7075 -0.0275 -0.1640 118 ASN A OD1 563 N ND2 . ASN A 90 ? 1.9827 2.1229 1.2089 -0.6867 -0.0242 -0.1221 118 ASN A ND2 564 N N . LEU A 91 ? 1.7188 1.8239 0.9235 -0.7523 0.0182 -0.1108 119 LEU A N 565 C CA . LEU A 91 ? 1.5575 1.6473 0.7467 -0.7645 0.0327 -0.1024 119 LEU A CA 566 C C . LEU A 91 ? 1.5625 1.6952 0.7780 -0.7738 0.0374 -0.1190 119 LEU A C 567 O O . LEU A 91 ? 1.6416 1.7616 0.8408 -0.7827 0.0497 -0.1141 119 LEU A O 568 C CB . LEU A 91 ? 1.4828 1.5288 0.6330 -0.7883 0.0492 -0.1007 119 LEU A CB 569 C CG . LEU A 91 ? 1.4526 1.4561 0.5760 -0.7847 0.0461 -0.0909 119 LEU A CG 570 C CD1 . LEU A 91 ? 1.5121 1.4602 0.5862 -0.8077 0.0643 -0.0903 119 LEU A CD1 571 C CD2 . LEU A 91 ? 1.4368 1.4214 0.5576 -0.7551 0.0330 -0.0750 119 LEU A CD2 572 N N . ARG A 92 ? 1.4309 1.6113 0.6862 -0.7665 0.0255 -0.1413 120 ARG A N 573 C CA . ARG A 92 ? 1.4154 1.6462 0.7085 -0.7710 0.0277 -0.1645 120 ARG A CA 574 C C . ARG A 92 ? 1.3458 1.5810 0.6413 -0.7419 0.0120 -0.1512 120 ARG A C 575 O O . ARG A 92 ? 1.3428 1.5725 0.6360 -0.7142 -0.0086 -0.1487 120 ARG A O 576 C CB . ARG A 92 ? 1.4835 1.7670 0.8264 -0.7678 0.0179 -0.2027 120 ARG A CB 577 N N . TRP A 93 ? 1.4585 1.6983 0.7527 -0.7484 0.0223 -0.1460 121 TRP A N 578 C CA . TRP A 93 ? 1.3896 1.6383 0.6915 -0.7242 0.0100 -0.1378 121 TRP A CA 579 C C . TRP A 93 ? 1.3225 1.6161 0.6544 -0.7312 0.0147 -0.1582 121 TRP A C 580 O O . TRP A 93 ? 1.3768 1.6808 0.7112 -0.7616 0.0366 -0.1724 121 TRP A O 581 C CB . TRP A 93 ? 1.3350 1.5451 0.6108 -0.7162 0.0140 -0.1113 121 TRP A CB 582 C CG . TRP A 93 ? 1.4951 1.6759 0.7566 -0.7000 0.0057 -0.0994 121 TRP A CG 583 C CD1 . TRP A 93 ? 1.5946 1.7683 0.8515 -0.6801 -0.0053 -0.0988 121 TRP A CD1 584 C CD2 . TRP A 93 ? 1.5376 1.6834 0.7782 -0.7039 0.0108 -0.0887 121 TRP A CD2 585 N NE1 . TRP A 93 ? 1.6673 1.8019 0.8993 -0.6764 -0.0022 -0.0893 121 TRP A NE1 586 C CE2 . TRP A 93 ? 1.6774 1.8017 0.9063 -0.6897 0.0061 -0.0840 121 TRP A CE2 587 C CE3 . TRP A 93 ? 1.4177 1.5405 0.6407 -0.7178 0.0197 -0.0842 121 TRP A CE3 588 C CZ2 . TRP A 93 ? 1.6316 1.7246 0.8426 -0.6912 0.0114 -0.0780 121 TRP A CZ2 589 C CZ3 . TRP A 93 ? 1.5286 1.6210 0.7354 -0.7136 0.0191 -0.0770 121 TRP A CZ3 590 C CH2 . TRP A 93 ? 1.6634 1.7469 0.8692 -0.7015 0.0155 -0.0752 121 TRP A CH2 591 N N . HIS A 94 ? 1.2799 1.5969 0.6311 -0.7046 -0.0044 -0.1650 122 HIS A N 592 C CA . HIS A 94 ? 1.4421 1.8042 0.8254 -0.7051 -0.0032 -0.1850 122 HIS A CA 593 C C . HIS A 94 ? 1.5435 1.8861 0.9094 -0.6907 -0.0061 -0.1625 122 HIS A C 594 O O . HIS A 94 ? 1.6842 1.9968 1.0304 -0.6682 -0.0196 -0.1467 122 HIS A O 595 C CB . HIS A 94 ? 1.5327 1.9392 0.9546 -0.6810 -0.0279 -0.2192 122 HIS A CB 596 C CG . HIS A 94 ? 1.8108 2.2467 1.2635 -0.6967 -0.0224 -0.2490 122 HIS A CG 597 N ND1 . HIS A 94 ? 1.9552 2.3641 1.3890 -0.6884 -0.0343 -0.2445 122 HIS A ND1 598 C CD2 . HIS A 94 ? 1.9216 2.4065 1.4208 -0.7246 0.0000 -0.2845 122 HIS A CD2 599 C CE1 . HIS A 94 ? 2.0389 2.4839 1.5112 -0.7069 -0.0244 -0.2768 122 HIS A CE1 600 N NE2 . HIS A 94 ? 2.0070 2.4983 1.5210 -0.7304 -0.0009 -0.3026 122 HIS A NE2 601 N N . CYS A 95 ? 1.4115 1.7646 0.7792 -0.7064 0.0098 -0.1631 123 CYS A N 602 C CA . CYS A 95 ? 1.4480 1.7795 0.7994 -0.6934 0.0082 -0.1421 123 CYS A CA 603 C C . CYS A 95 ? 1.4139 1.7597 0.7801 -0.6649 -0.0118 -0.1452 123 CYS A C 604 O O . CYS A 95 ? 1.4184 1.7395 0.7704 -0.6535 -0.0138 -0.1285 123 CYS A O 605 C CB . CYS A 95 ? 1.4307 1.7638 0.7712 -0.7121 0.0269 -0.1446 123 CYS A CB 606 S SG . CYS A 95 ? 1.6631 2.0616 1.0474 -0.7241 0.0341 -0.1814 123 CYS A SG 607 N N . ARG A 96 ? 1.4608 1.8439 0.8537 -0.6519 -0.0271 -0.1705 124 ARG A N 608 C CA . ARG A 96 ? 1.4837 1.8635 0.8726 -0.6205 -0.0493 -0.1736 124 ARG A CA 609 C C . ARG A 96 ? 1.4686 1.7903 0.8127 -0.6025 -0.0608 -0.1577 124 ARG A C 610 O O . ARG A 96 ? 1.4485 1.7354 0.7640 -0.5885 -0.0650 -0.1470 124 ARG A O 611 C CB . ARG A 96 ? 1.5024 1.9333 0.9277 -0.6028 -0.0692 -0.2110 124 ARG A CB 612 C CG . ARG A 96 ? 1.5204 2.0044 0.9864 -0.6210 -0.0530 -0.2290 124 ARG A CG 613 C CD . ARG A 96 ? 1.6211 2.0875 1.0701 -0.6187 -0.0472 -0.2073 124 ARG A CD 614 N NE . ARG A 96 ? 1.7112 2.1627 1.1470 -0.5856 -0.0708 -0.2055 124 ARG A NE 615 C CZ . ARG A 96 ? 1.6644 2.1187 1.1010 -0.5829 -0.0670 -0.1981 124 ARG A CZ 616 N NH1 . ARG A 96 ? 1.4539 1.9236 0.9004 -0.6082 -0.0435 -0.1926 124 ARG A NH1 617 N NH2 . ARG A 96 ? 1.7315 2.1646 1.1489 -0.5550 -0.0866 -0.1970 124 ARG A NH2 618 N N . THR A 97 ? 1.4875 1.7928 0.8194 -0.6057 -0.0625 -0.1581 125 THR A N 619 C CA . THR A 97 ? 1.6031 1.8464 0.8834 -0.5914 -0.0698 -0.1464 125 THR A CA 620 C C . THR A 97 ? 1.6208 1.8278 0.8829 -0.6121 -0.0462 -0.1220 125 THR A C 621 O O . THR A 97 ? 1.7722 1.9237 0.9897 -0.6070 -0.0432 -0.1129 125 THR A O 622 C CB . THR A 97 ? 1.5503 1.7981 0.8281 -0.5787 -0.0891 -0.1661 125 THR A CB 623 O OG1 . THR A 97 ? 1.7610 1.9356 0.9731 -0.5605 -0.0976 -0.1559 125 THR A OG1 624 C CG2 . THR A 97 ? 1.4191 1.6943 0.7274 -0.6086 -0.0711 -0.1656 125 THR A CG2 625 N N . LEU A 98 ? 1.3366 1.3651 0.9920 -0.5048 -0.0872 -0.2835 126 LEU A N 626 C CA . LEU A 98 ? 1.2173 1.3130 0.8679 -0.5312 -0.0212 -0.2866 126 LEU A CA 627 C C . LEU A 98 ? 1.4134 1.4792 0.9982 -0.5836 -0.0108 -0.2647 126 LEU A C 628 O O . LEU A 98 ? 1.4675 1.5389 0.9901 -0.6264 0.0219 -0.2560 126 LEU A O 629 C CB . LEU A 98 ? 1.1971 1.3860 0.9524 -0.4903 0.0228 -0.3119 126 LEU A CB 630 C CG . LEU A 98 ? 1.1178 1.3835 0.8779 -0.5094 0.0909 -0.3190 126 LEU A CG 631 C CD1 . LEU A 98 ? 1.0661 1.3331 0.7697 -0.5329 0.1091 -0.3166 126 LEU A CD1 632 C CD2 . LEU A 98 ? 1.0495 1.3955 0.9059 -0.4611 0.1283 -0.3447 126 LEU A CD2 633 N N . GLY A 99 ? 1.4268 1.4611 1.0261 -0.5811 -0.0365 -0.2565 127 GLY A N 634 C CA . GLY A 99 ? 1.5601 1.5635 1.1009 -0.6302 -0.0258 -0.2373 127 GLY A CA 635 C C . GLY A 99 ? 1.8885 1.7999 1.3057 -0.6797 -0.0481 -0.2115 127 GLY A C 636 O O . GLY A 99 ? 1.9847 1.8983 1.3424 -0.7291 -0.0116 -0.2023 127 GLY A O 637 N N . ASP A 100 ? 1.9346 1.7620 1.3097 -0.6654 -0.1085 -0.2005 128 ASP A N 638 C CA . ASP A 100 ? 1.9981 1.7290 1.2483 -0.7062 -0.1332 -0.1756 128 ASP A CA 639 C C . ASP A 100 ? 2.0687 1.8322 1.2772 -0.7329 -0.0924 -0.1780 128 ASP A C 640 O O . ASP A 100 ? 2.1576 1.8722 1.2679 -0.7855 -0.0791 -0.1591 128 ASP A O 641 C CB . ASP A 100 ? 1.9523 1.6039 1.1778 -0.6722 -0.2034 -0.1696 128 ASP A CB 642 C CG . ASP A 100 ? 1.9663 1.5658 1.2113 -0.6504 -0.2501 -0.1620 128 ASP A CG 643 O OD1 . ASP A 100 ? 1.8376 1.4274 1.0744 -0.6773 -0.2353 -0.1517 128 ASP A OD1 644 O OD2 . ASP A 100 ? 2.0642 1.6381 1.3389 -0.6039 -0.3001 -0.1685 128 ASP A OD2 645 N N . GLN A 101 ? 2.0035 1.8512 1.2863 -0.6989 -0.0670 -0.2017 129 GLN A N 646 C CA . GLN A 101 ? 1.9414 1.8220 1.1876 -0.7216 -0.0275 -0.2038 129 GLN A CA 647 C C . GLN A 101 ? 1.7860 1.7269 1.0294 -0.7624 0.0373 -0.2050 129 GLN A C 648 O O . GLN A 101 ? 1.9108 1.8385 1.0802 -0.8057 0.0630 -0.1940 129 GLN A O 649 C CB . GLN A 101 ? 1.8133 1.7578 1.1335 -0.6735 -0.0204 -0.2281 129 GLN A CB 650 C CG . GLN A 101 ? 1.9396 1.8174 1.2461 -0.6407 -0.0860 -0.2274 129 GLN A CG 651 C CD . GLN A 101 ? 1.9976 1.9335 1.3796 -0.5934 -0.0817 -0.2543 129 GLN A CD 652 O OE1 . GLN A 101 ? 1.9679 1.9922 1.4327 -0.5718 -0.0360 -0.2754 129 GLN A OE1 653 N NE2 . GLN A 101 ? 2.0614 1.9451 1.4131 -0.5756 -0.1293 -0.2548 129 GLN A NE2 654 N N . LEU A 102 ? 1.4263 1.4405 0.7547 -0.7457 0.0670 -0.2209 130 LEU A N 655 C CA . LEU A 102 ? 1.4322 1.5032 0.7571 -0.7831 0.1255 -0.2242 130 LEU A CA 656 C C . LEU A 102 ? 1.6792 1.6710 0.9042 -0.8435 0.1187 -0.1997 130 LEU A C 657 O O . LEU A 102 ? 1.7673 1.7733 0.9398 -0.8899 0.1603 -0.1963 130 LEU A O 658 C CB . LEU A 102 ? 1.3738 1.5308 0.8021 -0.7500 0.1540 -0.2452 130 LEU A CB 659 C CG . LEU A 102 ? 1.2708 1.5126 0.7964 -0.6933 0.1745 -0.2720 130 LEU A CG 660 C CD1 . LEU A 102 ? 1.1281 1.4378 0.7343 -0.6646 0.2005 -0.2890 130 LEU A CD1 661 C CD2 . LEU A 102 ? 1.1578 1.4550 0.6729 -0.7055 0.2208 -0.2806 130 LEU A CD2 662 N N . SER A 103 ? 1.8921 1.7989 1.0891 -0.8434 0.0686 -0.1834 131 SER A N 663 C CA . SER A 103 ? 2.0925 1.9098 1.1857 -0.9003 0.0606 -0.1588 131 SER A CA 664 C C . SER A 103 ? 2.1327 1.8810 1.1106 -0.9404 0.0562 -0.1417 131 SER A C 665 O O . SER A 103 ? 2.1828 1.9012 1.0811 -0.9980 0.0854 -0.1301 131 SER A O 666 C CB . SER A 103 ? 2.1999 1.9296 1.2790 -0.8875 0.0028 -0.1437 131 SER A CB 667 O OG . SER A 103 ? 2.0720 1.8625 1.2537 -0.8538 0.0087 -0.1581 131 SER A OG 668 N N . LEU A 104 ? 2.0064 1.7282 0.9734 -0.9090 0.0208 -0.1406 132 LEU A N 669 C CA . LEU A 104 ? 2.0924 1.7414 0.9475 -0.9410 0.0120 -0.1220 132 LEU A CA 670 C C . LEU A 104 ? 2.0713 1.7967 0.9316 -0.9648 0.0740 -0.1303 132 LEU A C 671 O O . LEU A 104 ? 2.1524 1.8324 0.9276 -1.0155 0.0931 -0.1138 132 LEU A O 672 C CB . LEU A 104 ? 2.0928 1.6941 0.9397 -0.8955 -0.0452 -0.1194 132 LEU A CB 673 C CG . LEU A 104 ? 2.2212 1.7109 1.0197 -0.8794 -0.1162 -0.1027 132 LEU A CG 674 C CD1 . LEU A 104 ? 2.1895 1.6267 0.9490 -0.8485 -0.1636 -0.0986 132 LEU A CD1 675 C CD2 . LEU A 104 ? 2.3915 1.7823 1.0780 -0.9371 -0.1185 -0.0766 132 LEU A CD2 676 N N . LEU A 105 ? 1.2231 1.5682 1.1937 -0.5497 0.1456 -0.4097 133 LEU A N 677 C CA . LEU A 105 ? 1.2512 1.6080 1.2243 -0.5507 0.1538 -0.4161 133 LEU A CA 678 C C . LEU A 105 ? 1.4566 1.8225 1.4387 -0.5508 0.1593 -0.4214 133 LEU A C 679 O O . LEU A 105 ? 1.6265 2.0030 1.6104 -0.5538 0.1663 -0.4275 133 LEU A O 680 C CB . LEU A 105 ? 1.0618 1.4213 1.0426 -0.5417 0.1541 -0.4194 133 LEU A CB 681 C CG . LEU A 105 ? 1.0045 1.3585 0.9819 -0.5382 0.1501 -0.4169 133 LEU A CG 682 C CD1 . LEU A 105 ? 0.8922 1.2485 0.8811 -0.5283 0.1495 -0.4197 133 LEU A CD1 683 C CD2 . LEU A 105 ? 1.0098 1.3673 0.9792 -0.5435 0.1534 -0.4186 133 LEU A CD2 684 N N . LEU A 106 ? 1.4640 1.8271 1.4529 -0.5477 0.1564 -0.4201 134 LEU A N 685 C CA . LEU A 106 ? 1.5490 1.9214 1.5483 -0.5468 0.1615 -0.4261 134 LEU A CA 686 C C . LEU A 106 ? 1.7136 2.0918 1.7068 -0.5579 0.1668 -0.4272 134 LEU A C 687 O O . LEU A 106 ? 1.8207 2.1946 1.8113 -0.5624 0.1644 -0.4233 134 LEU A O 688 C CB . LEU A 106 ? 1.5434 1.9120 1.5525 -0.5400 0.1571 -0.4253 134 LEU A CB 689 C CG . LEU A 106 ? 1.5763 1.9554 1.5986 -0.5366 0.1619 -0.4331 134 LEU A CG 690 C CD1 . LEU A 106 ? 1.5767 1.9596 1.6046 -0.5302 0.1628 -0.4372 134 LEU A CD1 691 C CD2 . LEU A 106 ? 1.5522 1.9297 1.5848 -0.5318 0.1588 -0.4336 134 LEU A CD2 692 N N . GLN A 129 ? 1.3409 1.6433 1.3666 -0.5088 0.0963 -0.4088 157 GLN A N 693 C CA . GLN A 129 ? 1.4684 1.7764 1.4926 -0.5122 0.1030 -0.4081 157 GLN A CA 694 C C . GLN A 129 ? 1.3591 1.6745 1.3874 -0.5068 0.1082 -0.4119 157 GLN A C 695 O O . GLN A 129 ? 1.3889 1.7066 1.4215 -0.5060 0.1094 -0.4133 157 GLN A O 696 C CB . GLN A 129 ? 1.5933 1.9026 1.6101 -0.5181 0.1067 -0.4053 157 GLN A CB 697 C CG . GLN A 129 ? 1.6526 1.9540 1.6635 -0.5257 0.1014 -0.4005 157 GLN A CG 698 C CD . GLN A 129 ? 1.6480 1.9493 1.6591 -0.5315 0.1021 -0.3988 157 GLN A CD 699 O OE1 . GLN A 129 ? 1.7384 2.0349 1.7540 -0.5307 0.0967 -0.3985 157 GLN A OE1 700 N NE2 . GLN A 129 ? 1.5997 1.9069 1.6062 -0.5377 0.1088 -0.3982 157 GLN A NE2 701 N N . TRP A 130 ? 1.2218 1.5404 1.2490 -0.5034 0.1105 -0.4133 158 TRP A N 702 C CA . TRP A 130 ? 1.1795 1.5043 1.2091 -0.4998 0.1149 -0.4158 158 TRP A CA 703 C C . TRP A 130 ? 1.1107 1.4358 1.1422 -0.4946 0.1128 -0.4184 158 TRP A C 704 O O . TRP A 130 ? 1.2190 1.5423 1.2496 -0.4932 0.1102 -0.4191 158 TRP A O 705 C CB . TRP A 130 ? 1.0978 1.4267 1.1242 -0.5008 0.1194 -0.4154 158 TRP A CB 706 C CG . TRP A 130 ? 1.0906 1.4215 1.1146 -0.5064 0.1230 -0.4142 158 TRP A CG 707 C CD1 . TRP A 130 ? 1.0558 1.3835 1.0736 -0.5120 0.1223 -0.4113 158 TRP A CD1 708 C CD2 . TRP A 130 ? 1.1613 1.4984 1.1889 -0.5074 0.1279 -0.4165 158 TRP A CD2 709 N NE1 . TRP A 130 ? 1.0937 1.4261 1.1100 -0.5171 0.1273 -0.4117 158 TRP A NE1 710 C CE2 . TRP A 130 ? 1.0743 1.4131 1.0975 -0.5139 0.1309 -0.4154 158 TRP A CE2 711 C CE3 . TRP A 130 ? 1.2035 1.5448 1.2381 -0.5036 0.1293 -0.4196 158 TRP A CE3 712 C CZ2 . TRP A 130 ? 0.9413 1.2874 0.9677 -0.5165 0.1364 -0.4185 158 TRP A CZ2 713 C CZ3 . TRP A 130 ? 1.1173 1.4647 1.1565 -0.5056 0.1335 -0.4225 158 TRP A CZ3 714 C CH2 . TRP A 130 ? 0.9974 1.3480 1.0329 -0.5118 0.1376 -0.4224 158 TRP A CH2 715 N N . ARG A 131 ? 0.9521 1.2797 0.9866 -0.4922 0.1137 -0.4203 159 ARG A N 716 C CA . ARG A 131 ? 0.9573 1.2860 0.9920 -0.4885 0.1123 -0.4229 159 ARG A CA 717 C C . ARG A 131 ? 0.9468 1.2788 0.9821 -0.4875 0.1145 -0.4234 159 ARG A C 718 O O . ARG A 131 ? 0.9004 1.2336 0.9380 -0.4886 0.1163 -0.4226 159 ARG A O 719 C CB . ARG A 131 ? 0.9720 1.2975 1.0093 -0.4873 0.1080 -0.4247 159 ARG A CB 720 C CG . ARG A 131 ? 1.0673 1.3884 1.1055 -0.4878 0.1039 -0.4247 159 ARG A CG 721 C CD . ARG A 131 ? 1.3032 1.6261 1.3408 -0.4854 0.1031 -0.4276 159 ARG A CD 722 N NE . ARG A 131 ? 1.5335 1.8516 1.5742 -0.4851 0.0974 -0.4286 159 ARG A NE 723 C CZ . ARG A 131 ? 1.7177 2.0321 1.7575 -0.4871 0.0952 -0.4263 159 ARG A CZ 724 N NH1 . ARG A 131 ? 1.7343 2.0503 1.7698 -0.4895 0.0992 -0.4231 159 ARG A NH1 725 N NH2 . ARG A 131 ? 1.7705 2.0792 1.8140 -0.4867 0.0883 -0.4274 159 ARG A NH2 726 N N . ILE A 132 ? 0.8613 1.1947 0.8944 -0.4856 0.1139 -0.4250 160 ILE A N 727 C CA . ILE A 132 ? 0.8605 1.1949 0.8938 -0.4851 0.1136 -0.4251 160 ILE A CA 728 C C . ILE A 132 ? 1.0243 1.3559 1.0612 -0.4847 0.1106 -0.4259 160 ILE A C 729 O O . ILE A 132 ? 1.0707 1.4003 1.1080 -0.4841 0.1082 -0.4273 160 ILE A O 730 C CB . ILE A 132 ? 0.8616 1.1981 0.8899 -0.4849 0.1135 -0.4262 160 ILE A CB 731 C CG1 . ILE A 132 ? 0.8590 1.1986 0.8848 -0.4855 0.1165 -0.4252 160 ILE A CG1 732 C CG2 . ILE A 132 ? 0.8640 1.1992 0.8911 -0.4853 0.1111 -0.4259 160 ILE A CG2 733 C CD1 . ILE A 132 ? 0.8607 1.2035 0.8819 -0.4861 0.1173 -0.4267 160 ILE A CD1 734 N N . TYR A 133 ? 0.9091 1.2406 0.9500 -0.4847 0.1100 -0.4255 161 TYR A N 735 C CA . TYR A 133 ? 0.8641 1.1932 0.9102 -0.4843 0.1070 -0.4264 161 TYR A CA 736 C C . TYR A 133 ? 0.9631 1.2894 1.0063 -0.4833 0.1029 -0.4276 161 TYR A C 737 O O . TYR A 133 ? 1.0103 1.3364 1.0491 -0.4835 0.1015 -0.4273 161 TYR A O 738 C CB . TYR A 133 ? 0.8627 1.1929 0.9156 -0.4842 0.1068 -0.4268 161 TYR A CB 739 C CG . TYR A 133 ? 0.9323 1.2600 0.9917 -0.4834 0.1027 -0.4282 161 TYR A CG 740 C CD1 . TYR A 133 ? 0.8657 1.1937 0.9307 -0.4844 0.1034 -0.4290 161 TYR A CD1 741 C CD2 . TYR A 133 ? 0.8682 1.1926 0.9276 -0.4823 0.0976 -0.4285 161 TYR A CD2 742 C CE1 . TYR A 133 ? 0.9998 1.3257 1.0716 -0.4835 0.0993 -0.4305 161 TYR A CE1 743 C CE2 . TYR A 133 ? 0.8711 1.1924 0.9367 -0.4814 0.0929 -0.4298 161 TYR A CE2 744 C CZ . TYR A 133 ? 1.0017 1.3241 1.0741 -0.4817 0.0940 -0.4311 161 TYR A CZ 745 O OH . TYR A 133 ? 0.9507 1.2701 1.0301 -0.4808 0.0890 -0.4326 161 TYR A OH 746 N N . GLY A 134 ? 0.9421 1.2661 0.9872 -0.4829 0.1005 -0.4288 162 GLY A N 747 C CA . GLY A 134 ? 0.9323 1.2534 0.9756 -0.4820 0.0962 -0.4304 162 GLY A CA 748 C C . GLY A 134 ? 0.8780 1.2002 0.9145 -0.4817 0.0962 -0.4326 162 GLY A C 749 O O . GLY A 134 ? 1.0122 1.3324 1.0485 -0.4809 0.0931 -0.4350 162 GLY A O 750 N N . SER A 135 ? 0.8964 1.2223 0.9284 -0.4824 0.0997 -0.4325 163 SER A N 751 C CA . SER A 135 ? 1.0171 1.3457 1.0454 -0.4819 0.1004 -0.4359 163 SER A CA 752 C C . SER A 135 ? 0.9878 1.3164 1.0203 -0.4807 0.1010 -0.4366 163 SER A C 753 O O . SER A 135 ? 0.9749 1.3048 1.0077 -0.4795 0.1000 -0.4404 163 SER A O 754 C CB . SER A 135 ? 0.9447 1.2781 0.9662 -0.4836 0.1035 -0.4362 163 SER A CB 755 O OG . SER A 135 ? 0.8739 1.2088 0.8966 -0.4839 0.1066 -0.4335 163 SER A OG 756 N N . GLU A 136 ? 0.9822 1.3091 1.0182 -0.4815 0.1021 -0.4333 164 GLU A N 757 C CA . GLU A 136 ? 0.9209 1.2462 0.9597 -0.4817 0.1016 -0.4326 164 GLU A CA 758 C C . GLU A 136 ? 0.8971 1.2255 0.9341 -0.4810 0.1029 -0.4346 164 GLU A C 759 O O . GLU A 136 ? 0.9514 1.2774 0.9911 -0.4805 0.1005 -0.4354 164 GLU A O 760 C CB . GLU A 136 ? 0.9056 1.2264 0.9487 -0.4811 0.0969 -0.4339 164 GLU A CB 761 C CG . GLU A 136 ? 1.0553 1.3735 1.1019 -0.4825 0.0960 -0.4315 164 GLU A CG 762 C CD . GLU A 136 ? 1.1334 1.4468 1.1845 -0.4823 0.0909 -0.4325 164 GLU A CD 763 O OE1 . GLU A 136 ? 1.0483 1.3600 1.0999 -0.4803 0.0873 -0.4356 164 GLU A OE1 764 O OE2 . GLU A 136 ? 1.2396 1.5512 1.2945 -0.4841 0.0904 -0.4305 164 GLU A OE2 765 N N . GLU A 137 ? 0.8707 1.2037 0.9035 -0.4812 0.1063 -0.4352 165 GLU A N 766 C CA . GLU A 137 ? 0.9225 1.2593 0.9549 -0.4806 0.1078 -0.4376 165 GLU A CA 767 C C . GLU A 137 ? 0.9457 1.2821 0.9778 -0.4817 0.1099 -0.4340 165 GLU A C 768 O O . GLU A 137 ? 0.9579 1.2924 0.9895 -0.4832 0.1111 -0.4301 165 GLU A O 769 C CB . GLU A 137 ? 1.0068 1.3497 1.0345 -0.4811 0.1104 -0.4406 165 GLU A CB 770 C CG . GLU A 137 ? 0.9902 1.3338 1.0129 -0.4833 0.1125 -0.4370 165 GLU A CG 771 C CD . GLU A 137 ? 1.1182 1.4661 1.1346 -0.4853 0.1135 -0.4394 165 GLU A CD 772 O OE1 . GLU A 137 ? 1.3128 1.6658 1.3286 -0.4851 0.1147 -0.4446 165 GLU A OE1 773 O OE2 . GLU A 137 ? 1.0335 1.3796 1.0455 -0.4874 0.1128 -0.4365 165 GLU A OE2 774 N N . ASP A 138 ? 0.9658 1.3047 0.9988 -0.4811 0.1103 -0.4360 166 ASP A N 775 C CA . ASP A 138 ? 0.9585 1.2961 0.9912 -0.4822 0.1112 -0.4328 166 ASP A CA 776 C C . ASP A 138 ? 1.0378 1.3788 1.0666 -0.4835 0.1156 -0.4303 166 ASP A C 777 O O . ASP A 138 ? 1.0927 1.4365 1.1190 -0.4838 0.1172 -0.4308 166 ASP A O 778 C CB . ASP A 138 ? 0.9650 1.3035 1.0012 -0.4808 0.1092 -0.4359 166 ASP A CB 779 C CG . ASP A 138 ? 1.3655 1.7119 1.4015 -0.4799 0.1125 -0.4401 166 ASP A CG 780 O OD1 . ASP A 138 ? 1.5482 1.8987 1.5796 -0.4813 0.1164 -0.4392 166 ASP A OD1 781 O OD2 . ASP A 138 ? 1.5609 1.9095 1.6018 -0.4782 0.1107 -0.4445 166 ASP A OD2 782 N N . LEU A 139 ? 1.0842 1.4243 1.1121 -0.4846 0.1168 -0.4275 167 LEU A N 783 C CA . LEU A 139 ? 0.9824 1.3245 1.0077 -0.4857 0.1200 -0.4250 167 LEU A CA 784 C C . LEU A 139 ? 0.9567 1.3036 0.9804 -0.4856 0.1221 -0.4261 167 LEU A C 785 O O . LEU A 139 ? 0.8525 1.2008 0.8743 -0.4865 0.1239 -0.4241 167 LEU A O 786 C CB . LEU A 139 ? 0.9207 1.2603 0.9457 -0.4874 0.1208 -0.4219 167 LEU A CB 787 C CG . LEU A 139 ? 0.8576 1.1944 0.8840 -0.4886 0.1201 -0.4209 167 LEU A CG 788 C CD1 . LEU A 139 ? 1.1002 1.4329 1.1280 -0.4888 0.1163 -0.4214 167 LEU A CD1 789 C CD2 . LEU A 139 ? 0.8578 1.1946 0.8834 -0.4912 0.1224 -0.4189 167 LEU A CD2 790 N N . CYS A 140 ? 0.9672 1.3169 0.9923 -0.4846 0.1216 -0.4297 168 CYS A N 791 C CA . CYS A 140 ? 1.0826 1.4383 1.1066 -0.4852 0.1241 -0.4316 168 CYS A CA 792 C C . CYS A 140 ? 0.9952 1.3552 1.0160 -0.4865 0.1254 -0.4340 168 CYS A C 793 O O . CYS A 140 ? 0.9510 1.3168 0.9696 -0.4884 0.1279 -0.4355 168 CYS A O 794 C CB . CYS A 140 ? 1.3785 1.7362 1.4073 -0.4837 0.1229 -0.4353 168 CYS A CB 795 S SG . CYS A 140 ? 1.6887 2.0396 1.7190 -0.4835 0.1201 -0.4316 168 CYS A SG 796 N N . ALA A 141 ? 0.9058 1.2632 0.9257 -0.4863 0.1237 -0.4341 169 ALA A N 797 C CA . ALA A 141 ? 0.8638 1.2244 0.8795 -0.4880 0.1241 -0.4365 169 ALA A CA 798 C C . ALA A 141 ? 0.9458 1.3074 0.9552 -0.4916 0.1252 -0.4333 169 ALA A C 799 O O . ALA A 141 ? 0.9657 1.3314 0.9698 -0.4946 0.1262 -0.4353 169 ALA A O 800 C CB . ALA A 141 ? 0.8659 1.2218 0.8823 -0.4868 0.1210 -0.4367 169 ALA A CB 801 N N . LEU A 142 ? 0.8626 1.2205 0.8722 -0.4917 0.1246 -0.4287 170 LEU A N 802 C CA . LEU A 142 ? 0.8652 1.2225 0.8700 -0.4950 0.1239 -0.4254 170 LEU A CA 803 C C . LEU A 142 ? 0.9649 1.3234 0.9709 -0.4952 0.1255 -0.4233 170 LEU A C 804 O O . LEU A 142 ? 0.9292 1.2838 0.9374 -0.4943 0.1240 -0.4202 170 LEU A O 805 C CB . LEU A 142 ? 0.8664 1.2172 0.8718 -0.4946 0.1198 -0.4225 170 LEU A CB 806 C CG . LEU A 142 ? 0.9863 1.3346 0.9902 -0.4946 0.1171 -0.4239 170 LEU A CG 807 C CD1 . LEU A 142 ? 0.9704 1.3125 0.9779 -0.4935 0.1130 -0.4214 170 LEU A CD1 808 C CD2 . LEU A 142 ? 0.8790 1.2296 0.8742 -0.4990 0.1166 -0.4249 170 LEU A CD2 809 N N . PRO A 143 ? 1.0653 1.4297 1.0706 -0.4964 0.1285 -0.4256 171 PRO A N 810 C CA . PRO A 143 ? 0.8586 1.2243 0.8656 -0.4965 0.1297 -0.4238 171 PRO A CA 811 C C . PRO A 143 ? 0.8620 1.2269 0.8644 -0.5003 0.1286 -0.4202 171 PRO A C 812 O O . PRO A 143 ? 1.0904 1.4554 1.0870 -0.5041 0.1273 -0.4194 171 PRO A O 813 C CB . PRO A 143 ? 0.8585 1.2313 0.8675 -0.4966 0.1328 -0.4285 171 PRO A CB 814 C CG . PRO A 143 ? 0.8636 1.2409 0.8693 -0.4988 0.1339 -0.4322 171 PRO A CG 815 C CD . PRO A 143 ? 0.8651 1.2363 0.8691 -0.4977 0.1309 -0.4308 171 PRO A CD 816 N N . TYR A 144 ? 1.0056 1.3692 1.0105 -0.4995 0.1282 -0.4178 172 TYR A N 817 C CA . TYR A 144 ? 0.9954 1.3579 0.9972 -0.5030 0.1263 -0.4143 172 TYR A CA 818 C C . TYR A 144 ? 1.0110 1.3803 1.0080 -0.5080 0.1290 -0.4154 172 TYR A C 819 O O . TYR A 144 ? 1.0259 1.4011 1.0256 -0.5073 0.1327 -0.4186 172 TYR A O 820 C CB . TYR A 144 ? 0.8577 1.2179 0.8641 -0.5007 0.1256 -0.4124 172 TYR A CB 821 C CG . TYR A 144 ? 0.8615 1.2200 0.8659 -0.5040 0.1227 -0.4089 172 TYR A CG 822 C CD1 . TYR A 144 ? 0.9096 1.2623 0.9129 -0.5056 0.1173 -0.4060 172 TYR A CD1 823 C CD2 . TYR A 144 ? 0.8872 1.2492 0.8918 -0.5057 0.1242 -0.4084 172 TYR A CD2 824 C CE1 . TYR A 144 ? 0.9354 1.2851 0.9373 -0.5090 0.1130 -0.4023 172 TYR A CE1 825 C CE2 . TYR A 144 ? 0.8655 1.2252 0.8683 -0.5093 0.1207 -0.4046 172 TYR A CE2 826 C CZ . TYR A 144 ? 0.9406 1.2938 0.9419 -0.5110 0.1148 -0.4014 172 TYR A CZ 827 O OH . TYR A 144 ? 1.1681 1.5176 1.1683 -0.5147 0.1098 -0.3973 172 TYR A OH 828 N N . HIS A 145 ? 0.8749 1.2433 0.8646 -0.5136 0.1269 -0.4129 173 HIS A N 829 C CA . HIS A 145 ? 0.8815 1.2568 0.8649 -0.5203 0.1296 -0.4134 173 HIS A CA 830 C C . HIS A 145 ? 0.9846 1.3561 0.9650 -0.5247 0.1258 -0.4077 173 HIS A C 831 O O . HIS A 145 ? 1.0592 1.4219 1.0394 -0.5244 0.1196 -0.4034 173 HIS A O 832 C CB . HIS A 145 ? 0.8977 1.2758 0.8726 -0.5254 0.1303 -0.4151 173 HIS A CB 833 C CG . HIS A 145 ? 1.0187 1.4023 0.9966 -0.5221 0.1342 -0.4216 173 HIS A CG 834 N ND1 . HIS A 145 ? 1.1489 1.5416 1.1321 -0.5205 0.1395 -0.4276 173 HIS A ND1 835 C CD2 . HIS A 145 ? 1.2037 1.5848 1.1805 -0.5202 0.1329 -0.4235 173 HIS A CD2 836 C CE1 . HIS A 145 ? 1.1802 1.5755 1.1660 -0.5175 0.1408 -0.4329 173 HIS A CE1 837 N NE2 . HIS A 145 ? 1.2001 1.5885 1.1818 -0.5174 0.1371 -0.4304 173 HIS A NE2 838 N N . GLU A 146 ? 0.9888 1.2285 1.0183 -0.4320 0.3386 -0.4280 174 GLU A N 839 C CA . GLU A 146 ? 0.9117 1.1455 0.9674 -0.4329 0.3435 -0.4332 174 GLU A CA 840 C C . GLU A 146 ? 0.7726 1.0056 0.8556 -0.4206 0.3402 -0.4204 174 GLU A C 841 O O . GLU A 146 ? 0.7937 1.0317 0.8729 -0.4133 0.3316 -0.4042 174 GLU A O 842 C CB . GLU A 146 ? 1.1051 1.3357 1.1458 -0.4409 0.3387 -0.4319 174 GLU A CB 843 C CG . GLU A 146 ? 1.3281 1.5567 1.3469 -0.4508 0.3444 -0.4460 174 GLU A CG 844 C CD . GLU A 146 ? 1.5021 1.7318 1.5059 -0.4592 0.3397 -0.4427 174 GLU A CD 845 O OE1 . GLU A 146 ? 1.5649 1.7999 1.5714 -0.4583 0.3303 -0.4287 174 GLU A OE1 846 O OE2 . GLU A 146 ? 1.5694 1.7974 1.5605 -0.4670 0.3459 -0.4519 174 GLU A OE2 847 N N . VAL A 147 ? 0.7919 1.0151 0.8993 -0.4166 0.3471 -0.4274 175 VAL A N 848 C CA . VAL A 147 ? 0.8009 1.0215 0.9360 -0.4028 0.3459 -0.4175 175 VAL A CA 849 C C . VAL A 147 ? 0.9336 1.1368 1.0783 -0.4042 0.3464 -0.4191 175 VAL A C 850 O O . VAL A 147 ? 0.8853 1.0729 1.0313 -0.4084 0.3564 -0.4340 175 VAL A O 851 C CB . VAL A 147 ? 0.8129 1.0390 0.9675 -0.3937 0.3559 -0.4238 175 VAL A CB 852 C CG1 . VAL A 147 ? 0.8139 1.0366 0.9973 -0.3789 0.3560 -0.4145 175 VAL A CG1 853 C CG2 . VAL A 147 ? 0.7289 0.9731 0.8728 -0.3950 0.3535 -0.4196 175 VAL A CG2 854 N N . TYR A 148 ? 0.7423 0.9459 0.8912 -0.4009 0.3361 -0.4036 176 TYR A N 855 C CA . TYR A 148 ? 0.7569 0.9455 0.9086 -0.4068 0.3346 -0.4037 176 TYR A CA 856 C C . TYR A 148 ? 0.7662 0.9382 0.9434 -0.3950 0.3409 -0.4049 176 TYR A C 857 O O . TYR A 148 ? 1.0293 1.2087 1.2259 -0.3800 0.3416 -0.3977 176 TYR A O 858 C CB . TYR A 148 ? 0.7413 0.9414 0.8856 -0.4084 0.3209 -0.3856 176 TYR A CB 859 C CG . TYR A 148 ? 0.7921 1.0082 0.9084 -0.4169 0.3168 -0.3844 176 TYR A CG 860 C CD1 . TYR A 148 ? 0.7688 0.9857 0.8655 -0.4339 0.3176 -0.3928 176 TYR A CD1 861 C CD2 . TYR A 148 ? 0.8383 1.0666 0.9446 -0.4086 0.3128 -0.3753 176 TYR A CD2 862 C CE1 . TYR A 148 ? 0.8293 1.0619 0.8999 -0.4401 0.3145 -0.3912 176 TYR A CE1 863 C CE2 . TYR A 148 ? 0.8866 1.1255 0.9633 -0.4147 0.3102 -0.3742 176 TYR A CE2 864 C CZ . TYR A 148 ? 0.9646 1.2071 1.0250 -0.4293 0.3113 -0.3820 176 TYR A CZ 865 O OH . TYR A 148 ? 1.1148 1.3691 1.1454 -0.4338 0.3092 -0.3801 176 TYR A OH 866 N N . THR A 149 ? 0.7944 0.9425 0.9685 -0.4024 0.3464 -0.4144 177 THR A N 867 C CA . THR A 149 ? 0.8531 0.9791 1.0447 -0.3904 0.3559 -0.4188 177 THR A CA 868 C C . THR A 149 ? 0.8483 0.9639 1.0508 -0.3873 0.3484 -0.4059 177 THR A C 869 O O . THR A 149 ? 0.8132 0.9286 1.0034 -0.4012 0.3391 -0.4000 177 THR A O 870 C CB . THR A 149 ? 0.9115 1.0082 1.0885 -0.3978 0.3697 -0.4386 177 THR A CB 871 O OG1 . THR A 149 ? 0.9116 0.9929 1.0655 -0.4191 0.3654 -0.4425 177 THR A OG1 872 C CG2 . THR A 149 ? 0.8550 0.9626 1.0243 -0.3983 0.3784 -0.4514 177 THR A CG2 873 N N . ILE A 150 ? 0.8763 0.9860 1.1020 -0.3691 0.3525 -0.4009 178 ILE A N 874 C CA . ILE A 150 ? 0.8063 0.9063 1.0457 -0.3630 0.3462 -0.3881 178 ILE A CA 875 C C . ILE A 150 ? 0.8492 0.9091 1.0820 -0.3644 0.3568 -0.3991 178 ILE A C 876 O O . ILE A 150 ? 1.0273 1.0714 1.2610 -0.3544 0.3713 -0.4111 178 ILE A O 877 C CB . ILE A 150 ? 0.8507 0.9686 1.1179 -0.3419 0.3441 -0.3749 178 ILE A CB 878 C CG1 . ILE A 150 ? 0.8752 1.0252 1.1393 -0.3428 0.3365 -0.3677 178 ILE A CG1 879 C CG2 . ILE A 150 ? 0.7684 0.8820 1.0494 -0.3363 0.3350 -0.3594 178 ILE A CG2 880 C CD1 . ILE A 150 ? 0.7343 0.8940 0.9802 -0.3562 0.3236 -0.3593 178 ILE A CD1 881 N N . GLN A 151 ? 0.8638 0.9067 1.0864 -0.3774 0.3500 -0.3948 179 GLN A N 882 C CA . GLN A 151 ? 0.9105 0.9091 1.1187 -0.3834 0.3579 -0.4037 179 GLN A CA 883 C C . GLN A 151 ? 1.0732 1.0487 1.2547 -0.3945 0.3705 -0.4243 179 GLN A C 884 O O . GLN A 151 ? 1.1212 1.1159 1.2896 -0.4087 0.3674 -0.4295 179 GLN A O 885 C CB . GLN A 151 ? 0.9158 0.8981 1.1458 -0.3593 0.3649 -0.3988 179 GLN A CB 886 C CG . GLN A 151 ? 0.9933 1.0012 1.2506 -0.3481 0.3520 -0.3781 179 GLN A CG 887 C CD . GLN A 151 ? 1.1396 1.1313 1.4185 -0.3247 0.3588 -0.3726 179 GLN A CD 888 O OE1 . GLN A 151 ? 1.1375 1.1051 1.4143 -0.3117 0.3744 -0.3830 179 GLN A OE1 889 N NE2 . GLN A 151 ? 1.1956 1.2024 1.4948 -0.3176 0.3476 -0.3552 179 GLN A NE2 890 N N . GLY A 152 ? 1.0993 1.0329 1.2705 -0.3870 0.3857 -0.4361 180 GLY A N 891 C CA . GLY A 152 ? 1.0817 0.9844 1.2215 -0.3992 0.3977 -0.4554 180 GLY A CA 892 C C . GLY A 152 ? 1.0671 0.9523 1.1747 -0.4321 0.3899 -0.4591 180 GLY A C 893 O O . GLY A 152 ? 1.0501 0.9458 1.1597 -0.4449 0.3758 -0.4461 180 GLY A O 894 N N . ASN A 153 ? 1.0999 0.9619 1.1774 -0.4463 0.3993 -0.4764 181 ASN A N 895 C CA . ASN A 153 ? 1.1324 0.9759 1.1743 -0.4801 0.3941 -0.4825 181 ASN A CA 896 C C . ASN A 153 ? 1.1026 0.9886 1.1402 -0.4986 0.3841 -0.4819 181 ASN A C 897 O O . ASN A 153 ? 1.3149 1.1949 1.3223 -0.5221 0.3785 -0.4821 181 ASN A O 898 C CB . ASN A 153 ? 1.2021 0.9841 1.2056 -0.4869 0.4111 -0.5021 181 ASN A CB 899 C CG . ASN A 153 ? 1.2488 1.0283 1.2536 -0.4679 0.4276 -0.5164 181 ASN A CG 900 O OD1 . ASN A 153 ? 1.1659 0.9900 1.1891 -0.4626 0.4248 -0.5159 181 ASN A OD1 901 N ND2 . ASN A 153 ? 1.2646 0.9895 1.2466 -0.4572 0.4455 -0.5288 181 ASN A ND2 902 N N . SER A 154 ? 1.0526 0.9837 1.1156 -0.4837 0.3804 -0.4760 182 SER A N 903 C CA . SER A 154 ? 1.0288 0.9959 1.0845 -0.4975 0.3737 -0.4770 182 SER A CA 904 C C . SER A 154 ? 1.0632 1.0737 1.1273 -0.5029 0.3551 -0.4562 182 SER A C 905 O O . SER A 154 ? 0.9640 1.0089 1.0228 -0.5034 0.3488 -0.4512 182 SER A O 906 C CB . SER A 154 ? 1.0047 0.9920 1.0752 -0.4786 0.3814 -0.4830 182 SER A CB 907 O OG . SER A 154 ? 1.0964 1.0475 1.1570 -0.4708 0.3987 -0.4998 182 SER A OG 908 N N . HIS A 155 ? 0.9816 0.9915 1.0580 -0.5030 0.3469 -0.4428 183 HIS A N 909 C CA . HIS A 155 ? 0.9475 0.9978 1.0293 -0.5051 0.3293 -0.4207 183 HIS A CA 910 C C . HIS A 155 ? 1.0023 1.0921 1.1048 -0.4895 0.3254 -0.4128 183 HIS A C 911 O O . HIS A 155 ? 0.9643 1.0883 1.0594 -0.4909 0.3135 -0.3984 183 HIS A O 912 C CB . HIS A 155 ? 0.9629 1.0275 1.0128 -0.5239 0.3195 -0.4143 183 HIS A CB 913 C CG . HIS A 155 ? 1.0429 1.0761 1.0698 -0.5422 0.3181 -0.4147 183 HIS A CG 914 N ND1 . HIS A 155 ? 1.2114 1.2514 1.2066 -0.5627 0.3110 -0.4108 183 HIS A ND1 915 C CD2 . HIS A 155 ? 1.3010 1.2948 1.3295 -0.5441 0.3227 -0.4177 183 HIS A CD2 916 C CE1 . HIS A 155 ? 1.4025 1.4085 1.3793 -0.5776 0.3106 -0.4110 183 HIS A CE1 917 N NE2 . HIS A 155 ? 1.4205 1.3961 1.4159 -0.5663 0.3179 -0.4154 183 HIS A NE2 918 N N . GLY A 156 ? 0.9982 1.0827 1.1192 -0.4673 0.3338 -0.4173 184 GLY A N 919 C CA . GLY A 156 ? 0.8871 1.0041 1.0213 -0.4519 0.3295 -0.4083 184 GLY A CA 920 C C . GLY A 156 ? 0.9938 1.1233 1.1136 -0.4565 0.3343 -0.4195 184 GLY A C 921 O O . GLY A 156 ? 0.8146 0.9667 0.9408 -0.4447 0.3319 -0.4134 184 GLY A O 922 N N . LYS A 157 ? 0.8747 0.9876 0.9730 -0.4740 0.3414 -0.4360 185 LYS A N 923 C CA . LYS A 157 ? 1.2204 1.3445 1.3006 -0.4776 0.3451 -0.4454 185 LYS A CA 924 C C . LYS A 157 ? 0.8582 0.9888 0.9547 -0.4623 0.3535 -0.4521 185 LYS A C 925 O O . LYS A 157 ? 0.8622 0.9788 0.9776 -0.4466 0.3607 -0.4538 185 LYS A O 926 C CB . LYS A 157 ? 1.2127 1.3103 1.2679 -0.4909 0.3532 -0.4600 185 LYS A CB 927 N N . PRO A 158 ? 0.9497 1.1023 1.0361 -0.4632 0.3522 -0.4533 186 PRO A N 928 C CA . PRO A 158 ? 0.9488 1.1113 1.0470 -0.4486 0.3580 -0.4560 186 PRO A CA 929 C C . PRO A 158 ? 0.9372 1.0818 1.0373 -0.4461 0.3734 -0.4747 186 PRO A C 930 O O . PRO A 158 ? 1.0513 1.1776 1.1342 -0.4592 0.3803 -0.4892 186 PRO A O 931 C CB . PRO A 158 ? 0.9150 1.1009 0.9932 -0.4538 0.3520 -0.4525 186 PRO A CB 932 C CG . PRO A 158 ? 1.0415 1.2246 1.0927 -0.4658 0.3482 -0.4530 186 PRO A CG 933 C CD . PRO A 158 ? 0.9908 1.1608 1.0488 -0.4708 0.3437 -0.4468 186 PRO A CD 934 N N . CYS A 159 ? 1.0000 1.1514 1.1198 -0.4288 0.3791 -0.4733 187 CYS A N 935 C CA . CYS A 159 ? 1.0768 1.2196 1.1994 -0.4227 0.3943 -0.4886 187 CYS A CA 936 C C . CYS A 159 ? 0.9864 1.1344 1.0862 -0.4368 0.3982 -0.5022 187 CYS A C 937 O O . CYS A 159 ? 0.9183 1.0868 1.0064 -0.4447 0.3899 -0.4975 187 CYS A O 938 C CB . CYS A 159 ? 1.2925 1.4561 1.4384 -0.4044 0.3976 -0.4818 187 CYS A CB 939 S SG . CYS A 159 ? 1.5319 1.6927 1.7088 -0.3836 0.3965 -0.4670 187 CYS A SG 940 N N . THR A 160 ? 1.0184 1.1457 1.1097 -0.4390 0.4114 -0.5190 188 THR A N 941 C CA . THR A 160 ? 1.1004 1.2343 1.1746 -0.4483 0.4170 -0.5313 188 THR A CA 942 C C . THR A 160 ? 1.0600 1.2099 1.1488 -0.4335 0.4274 -0.5359 188 THR A C 943 O O . THR A 160 ? 1.0701 1.2069 1.1699 -0.4193 0.4400 -0.5411 188 THR A O 944 C CB . THR A 160 ? 1.0888 1.1953 1.1449 -0.4569 0.4223 -0.5372 188 THR A CB 945 O OG1 . THR A 160 ? 1.1731 1.2458 1.2328 -0.4478 0.4354 -0.5483 188 THR A OG1 946 C CG2 . THR A 160 ? 0.9456 1.0499 0.9850 -0.4708 0.4101 -0.5261 188 THR A CG2 947 N N . ILE A 161 ? 1.0518 1.2317 1.1413 -0.4353 0.4202 -0.5286 189 ILE A N 948 C CA . ILE A 161 ? 0.9453 1.1468 1.0476 -0.4249 0.4248 -0.5275 189 ILE A CA 949 C C . ILE A 161 ? 0.9421 1.1484 1.0312 -0.4345 0.4215 -0.5305 189 ILE A C 950 O O . ILE A 161 ? 1.0346 1.2469 1.1091 -0.4475 0.4104 -0.5239 189 ILE A O 951 C CB . ILE A 161 ? 0.9096 1.1382 1.0216 -0.4205 0.4152 -0.5124 189 ILE A CB 952 C CG1 . ILE A 161 ? 0.8236 1.0483 0.9561 -0.4087 0.4123 -0.4999 189 ILE A CG1 953 C CG2 . ILE A 161 ? 0.8280 1.0801 0.9503 -0.4123 0.4159 -0.5087 189 ILE A CG2 954 C CD1 . ILE A 161 ? 0.8460 1.0667 1.0024 -0.3901 0.4245 -0.5012 189 ILE A CD1 955 N N . PRO A 162 ? 0.8924 1.0978 0.9868 -0.4264 0.4323 -0.5386 190 PRO A N 956 C CA . PRO A 162 ? 0.9569 1.1539 1.0657 -0.4079 0.4488 -0.5452 190 PRO A CA 957 C C . PRO A 162 ? 1.0462 1.2027 1.1437 -0.4083 0.4585 -0.5554 190 PRO A C 958 O O . PRO A 162 ? 0.9580 1.0982 1.0368 -0.4251 0.4519 -0.5569 190 PRO A O 959 C CB . PRO A 162 ? 0.9222 1.1347 1.0318 -0.4030 0.4533 -0.5483 190 PRO A CB 960 C CG . PRO A 162 ? 0.9217 1.1306 1.0117 -0.4223 0.4434 -0.5500 190 PRO A CG 961 C CD . PRO A 162 ? 0.9001 1.1154 0.9840 -0.4350 0.4283 -0.5400 190 PRO A CD 962 N N . PHE A 163 ? 1.0359 1.1767 1.1431 -0.3897 0.4735 -0.5598 191 PHE A N 963 C CA . PHE A 163 ? 1.1687 1.2628 1.2592 -0.3894 0.4831 -0.5695 191 PHE A CA 964 C C . PHE A 163 ? 1.1032 1.1836 1.1973 -0.3656 0.5022 -0.5750 191 PHE A C 965 O O . PHE A 163 ? 1.0689 1.1793 1.1863 -0.3462 0.5085 -0.5686 191 PHE A O 966 C CB . PHE A 163 ? 1.1005 1.1745 1.1917 -0.3920 0.4800 -0.5678 191 PHE A CB 967 C CG . PHE A 163 ? 1.0387 1.1265 1.1596 -0.3691 0.4807 -0.5532 191 PHE A CG 968 C CD1 . PHE A 163 ? 1.0451 1.1050 1.1693 -0.3485 0.4950 -0.5548 191 PHE A CD1 969 C CD2 . PHE A 163 ? 0.9528 1.0790 1.0957 -0.3677 0.4674 -0.5372 191 PHE A CD2 970 C CE1 . PHE A 163 ? 1.1094 1.1842 1.2616 -0.3266 0.4955 -0.5403 191 PHE A CE1 971 C CE2 . PHE A 163 ? 0.9387 1.0789 1.1092 -0.3477 0.4673 -0.5229 191 PHE A CE2 972 C CZ . PHE A 163 ? 0.9694 1.0863 1.1463 -0.3271 0.4811 -0.5242 191 PHE A CZ 973 N N . LYS A 164 ? 1.1157 1.1511 1.1853 -0.3665 0.5112 -0.5845 192 LYS A N 974 C CA . LYS A 164 ? 1.1377 1.1521 1.2032 -0.3421 0.5307 -0.5895 192 LYS A CA 975 C C . LYS A 164 ? 1.1685 1.1427 1.2298 -0.3281 0.5413 -0.5909 192 LYS A C 976 O O . LYS A 164 ? 1.2657 1.2019 1.3075 -0.3444 0.5358 -0.5942 192 LYS A O 977 C CB . LYS A 164 ? 1.1791 1.1638 1.2151 -0.3492 0.5356 -0.5984 192 LYS A CB 978 N N . TYR A 165 ? 1.1750 1.1592 1.2541 -0.2980 0.5559 -0.5865 193 TYR A N 979 C CA . TYR A 165 ? 1.2130 1.1549 1.2855 -0.2790 0.5693 -0.5873 193 TYR A CA 980 C C . TYR A 165 ? 1.4057 1.3463 1.4788 -0.2455 0.5892 -0.5856 193 TYR A C 981 O O . TYR A 165 ? 1.2607 1.2560 1.3617 -0.2302 0.5913 -0.5768 193 TYR A O 982 C CB . TYR A 165 ? 1.1766 1.1395 1.2800 -0.2723 0.5573 -0.5696 193 TYR A CB 983 C CG . TYR A 165 ? 1.2150 1.1386 1.3155 -0.2477 0.5688 -0.5645 193 TYR A CG 984 C CD1 . TYR A 165 ? 1.4564 1.3145 1.5238 -0.2577 0.5704 -0.5718 193 TYR A CD1 985 C CD2 . TYR A 165 ? 1.2054 1.1583 1.3347 -0.2155 0.5776 -0.5513 193 TYR A CD2 986 C CE1 . TYR A 165 ? 1.5225 1.3398 1.5830 -0.2354 0.5813 -0.5672 193 TYR A CE1 987 C CE2 . TYR A 165 ? 1.3716 1.2879 1.4968 -0.1912 0.5886 -0.5460 193 TYR A CE2 988 C CZ . TYR A 165 ? 1.5152 1.3615 1.6050 -0.2009 0.5907 -0.5544 193 TYR A CZ 989 O OH . TYR A 165 ? 1.6075 1.4133 1.6891 -0.1769 0.6023 -0.5493 193 TYR A OH 990 N N . ASP A 166 ? 1.4293 1.3066 1.4684 -0.2349 0.6030 -0.5925 194 ASP A N 991 C CA . ASP A 166 ? 1.3930 1.2576 1.4222 -0.2013 0.6235 -0.5914 194 ASP A CA 992 C C . ASP A 166 ? 1.3398 1.2492 1.3768 -0.2000 0.6232 -0.5912 194 ASP A C 993 O O . ASP A 166 ? 1.3359 1.2832 1.3917 -0.1719 0.6339 -0.5828 194 ASP A O 994 C CB . ASP A 166 ? 1.4346 1.3184 1.4913 -0.1669 0.6352 -0.5791 194 ASP A CB 995 C CG . ASP A 166 ? 1.6231 1.4807 1.6615 -0.1288 0.6579 -0.5767 194 ASP A CG 996 O OD1 . ASP A 166 ? 1.7538 1.5372 1.7503 -0.1239 0.6679 -0.5838 194 ASP A OD1 997 O OD2 . ASP A 166 ? 1.6957 1.6071 1.7593 -0.1037 0.6654 -0.5665 194 ASP A OD2 998 N N . ASN A 167 ? 1.3265 1.2364 1.3508 -0.2317 0.6092 -0.5987 195 ASN A N 999 C CA . ASN A 167 ? 1.5281 1.4674 1.5513 -0.2351 0.6079 -0.6007 195 ASN A CA 1000 C C . ASN A 167 ? 1.5805 1.5973 1.6441 -0.2319 0.5999 -0.5899 195 ASN A C 1001 O O . ASN A 167 ? 1.5989 1.6468 1.6647 -0.2372 0.5963 -0.5903 195 ASN A O 1002 C CB . ASN A 167 ? 1.5969 1.5055 1.5953 -0.2069 0.6288 -0.6040 195 ASN A CB 1003 C CG . ASN A 167 ? 1.7648 1.5910 1.7159 -0.2124 0.6359 -0.6141 195 ASN A CG 1004 O OD1 . ASN A 167 ? 1.8089 1.5928 1.7409 -0.1858 0.6528 -0.6133 195 ASN A OD1 1005 N ND2 . ASN A 167 ? 1.8554 1.6588 1.7855 -0.2472 0.6224 -0.6217 195 ASN A ND2 1006 N N . GLN A 168 ? 1.5030 1.5504 1.5971 -0.2231 0.5971 -0.5793 196 GLN A N 1007 C CA . GLN A 168 ? 1.2881 1.4043 1.4160 -0.2294 0.5842 -0.5679 196 GLN A CA 1008 C C . GLN A 168 ? 1.2292 1.3502 1.3567 -0.2639 0.5629 -0.5700 196 GLN A C 1009 O O . GLN A 168 ? 1.2772 1.3573 1.3884 -0.2790 0.5585 -0.5766 196 GLN A O 1010 C CB . GLN A 168 ? 1.2579 1.4086 1.4186 -0.2058 0.5891 -0.5530 196 GLN A CB 1011 C CG . GLN A 168 ? 1.4236 1.5917 1.5914 -0.1697 0.6078 -0.5455 196 GLN A CG 1012 C CD . GLN A 168 ? 1.4745 1.6844 1.6776 -0.1479 0.6104 -0.5278 196 GLN A CD 1013 O OE1 . GLN A 168 ? 1.3965 1.6006 1.6126 -0.1549 0.6030 -0.5242 196 GLN A OE1 1014 N NE2 . GLN A 168 ? 1.4991 1.7552 1.7186 -0.1215 0.6202 -0.5153 196 GLN A NE2 1015 N N . TRP A 169 ? 1.1463 1.3174 1.2891 -0.2762 0.5494 -0.5630 197 TRP A N 1016 C CA . TRP A 169 ? 1.0435 1.2244 1.1856 -0.3049 0.5292 -0.5618 197 TRP A CA 1017 C C . TRP A 169 ? 1.1098 1.3293 1.2798 -0.3020 0.5207 -0.5472 197 TRP A C 1018 O O . TRP A 169 ? 1.1578 1.4164 1.3500 -0.2846 0.5248 -0.5359 197 TRP A O 1019 C CB . TRP A 169 ? 1.0397 1.2406 1.1716 -0.3234 0.5182 -0.5640 197 TRP A CB 1020 C CG . TRP A 169 ? 1.2432 1.4041 1.3465 -0.3349 0.5208 -0.5768 197 TRP A CG 1021 C CD1 . TRP A 169 ? 1.2425 1.3879 1.3323 -0.3236 0.5340 -0.5840 197 TRP A CD1 1022 C CD2 . TRP A 169 ? 1.2409 1.3739 1.3250 -0.3600 0.5097 -0.5819 197 TRP A CD2 1023 N NE1 . TRP A 169 ? 1.3552 1.4626 1.4182 -0.3414 0.5313 -0.5934 197 TRP A NE1 1024 C CE2 . TRP A 169 ? 1.3307 1.4325 1.3909 -0.3642 0.5162 -0.5914 197 TRP A CE2 1025 C CE3 . TRP A 169 ? 1.3524 1.4863 1.4368 -0.3782 0.4950 -0.5774 197 TRP A CE3 1026 C CZ2 . TRP A 169 ? 1.3706 1.4459 1.4094 -0.3872 0.5079 -0.5950 197 TRP A CZ2 1027 C CZ3 . TRP A 169 ? 1.3797 1.4890 1.4430 -0.3994 0.4873 -0.5807 197 TRP A CZ3 1028 C CH2 . TRP A 169 ? 1.3601 1.4422 1.4019 -0.4043 0.4935 -0.5887 197 TRP A CH2 1029 N N . PHE A 170 ? 1.0228 1.2319 1.1909 -0.3186 0.5088 -0.5460 198 PHE A N 1030 C CA . PHE A 170 ? 0.9811 1.2224 1.1726 -0.3175 0.4994 -0.5313 198 PHE A CA 1031 C C . PHE A 170 ? 1.0391 1.2888 1.2195 -0.3429 0.4797 -0.5283 198 PHE A C 1032 O O . PHE A 170 ? 0.9189 1.1407 1.0773 -0.3600 0.4745 -0.5372 198 PHE A O 1033 C CB . PHE A 170 ? 1.0603 1.2810 1.2645 -0.3057 0.5018 -0.5253 198 PHE A CB 1034 C CG . PHE A 170 ? 1.0793 1.2788 1.2885 -0.2787 0.5201 -0.5270 198 PHE A CG 1035 C CD1 . PHE A 170 ? 1.0672 1.2390 1.2559 -0.2715 0.5376 -0.5423 198 PHE A CD1 1036 C CD2 . PHE A 170 ? 1.1264 1.3393 1.3612 -0.2581 0.5209 -0.5117 198 PHE A CD2 1037 C CE1 . PHE A 170 ? 1.1222 1.2721 1.3115 -0.2441 0.5553 -0.5424 198 PHE A CE1 1038 C CE2 . PHE A 170 ? 1.0884 1.2839 1.3268 -0.2305 0.5385 -0.5114 198 PHE A CE2 1039 C CZ . PHE A 170 ? 1.0530 1.2155 1.2674 -0.2229 0.5559 -0.5266 198 PHE A CZ 1040 N N . HIS A 171 ? 1.0129 1.3011 1.2060 -0.3447 0.4683 -0.5141 199 HIS A N 1041 C CA . HIS A 171 ? 0.8525 1.1488 1.0330 -0.3643 0.4495 -0.5077 199 HIS A CA 1042 C C . HIS A 171 ? 0.9806 1.2792 1.1728 -0.3639 0.4418 -0.4954 199 HIS A C 1043 O O . HIS A 171 ? 0.9342 1.2397 1.1151 -0.3762 0.4261 -0.4867 199 HIS A O 1044 C CB . HIS A 171 ? 0.8406 1.1700 1.0182 -0.3689 0.4407 -0.5003 199 HIS A CB 1045 C CG . HIS A 171 ? 0.9331 1.2982 1.1355 -0.3540 0.4429 -0.4862 199 HIS A CG 1046 N ND1 . HIS A 171 ? 0.8142 1.1929 1.0279 -0.3534 0.4331 -0.4707 199 HIS A ND1 1047 C CD2 . HIS A 171 ? 0.9925 1.3849 1.2098 -0.3392 0.4529 -0.4833 199 HIS A CD2 1048 C CE1 . HIS A 171 ? 0.8183 1.2316 1.0536 -0.3402 0.4367 -0.4591 199 HIS A CE1 1049 N NE2 . HIS A 171 ? 0.9003 1.3246 1.1385 -0.3309 0.4489 -0.4661 199 HIS A NE2 1050 N N . GLY A 172 ? 1.0160 1.3060 1.2284 -0.3479 0.4505 -0.4923 200 GLY A N 1051 C CA . GLY A 172 ? 0.8286 1.1132 1.0514 -0.3458 0.4378 -0.4774 200 GLY A CA 1052 C C . GLY A 172 ? 0.8543 1.1184 1.0947 -0.3264 0.4451 -0.4744 200 GLY A C 1053 O O . GLY A 172 ? 0.9969 1.2410 1.2346 -0.3161 0.4598 -0.4854 200 GLY A O 1054 N N . CYS A 173 ? 0.9719 1.2389 1.2277 -0.3209 0.4350 -0.4590 201 CYS A N 1055 C CA . CYS A 173 ? 1.1674 1.4142 1.4395 -0.3029 0.4401 -0.4542 201 CYS A CA 1056 C C . CYS A 173 ? 1.1683 1.4327 1.4600 -0.2798 0.4560 -0.4528 201 CYS A C 1057 O O . CYS A 173 ? 1.1810 1.4875 1.4851 -0.2766 0.4574 -0.4465 201 CYS A O 1058 C CB . CYS A 173 ? 1.3225 1.5761 1.6088 -0.3018 0.4253 -0.4364 201 CYS A CB 1059 S SG . CYS A 173 ? 1.4540 1.6907 1.7164 -0.3248 0.4077 -0.4352 201 CYS A SG 1060 N N . THR A 174 ? 1.0646 1.2968 1.3568 -0.2636 0.4683 -0.4579 202 THR A N 1061 C CA . THR A 174 ? 0.9523 1.1984 1.2638 -0.2361 0.4837 -0.4530 202 THR A CA 1062 C C . THR A 174 ? 1.0708 1.2831 1.3890 -0.2192 0.4873 -0.4477 202 THR A C 1063 O O . THR A 174 ? 1.1355 1.3062 1.4383 -0.2296 0.4813 -0.4522 202 THR A O 1064 C CB . THR A 174 ? 0.9888 1.2284 1.2869 -0.2269 0.5029 -0.4673 202 THR A CB 1065 O OG1 . THR A 174 ? 0.9886 1.1742 1.2559 -0.2381 0.5065 -0.4840 202 THR A OG1 1066 C CG2 . THR A 174 ? 0.9791 1.2667 1.2796 -0.2364 0.5023 -0.4683 202 THR A CG2 1067 N N . SER A 175 ? 1.1553 1.3893 1.4963 -0.1932 0.4973 -0.4372 203 SER A N 1068 C CA . SER A 175 ? 1.3326 1.5368 1.6800 -0.1709 0.5052 -0.4319 203 SER A CA 1069 C C . SER A 175 ? 1.3710 1.5399 1.6995 -0.1511 0.5280 -0.4441 203 SER A C 1070 O O . SER A 175 ? 1.3921 1.5324 1.7209 -0.1286 0.5385 -0.4405 203 SER A O 1071 C CB . SER A 175 ? 1.4161 1.6660 1.7987 -0.1526 0.5029 -0.4115 203 SER A CB 1072 O OG . SER A 175 ? 1.5058 1.8077 1.9025 -0.1419 0.5118 -0.4071 203 SER A OG 1073 N N . THR A 176 ? 1.4248 1.5926 1.7341 -0.1582 0.5365 -0.4583 204 THR A N 1074 C CA . THR A 176 ? 1.5205 1.6542 1.8078 -0.1387 0.5593 -0.4701 204 THR A CA 1075 C C . THR A 176 ? 1.5552 1.6129 1.8065 -0.1484 0.5617 -0.4837 204 THR A C 1076 O O . THR A 176 ? 1.7209 1.7597 1.9616 -0.1762 0.5455 -0.4875 204 THR A O 1077 C CB . THR A 176 ? 1.4839 1.6425 1.7620 -0.1444 0.5669 -0.4806 204 THR A CB 1078 O OG1 . THR A 176 ? 1.5984 1.7359 1.8613 -0.1170 0.5913 -0.4872 204 THR A OG1 1079 C CG2 . THR A 176 ? 1.4549 1.5832 1.7044 -0.1769 0.5576 -0.4968 204 THR A CG2 1080 N N . GLY A 177 ? 1.4565 1.4704 1.6863 -0.1249 0.5826 -0.4902 205 GLY A N 1081 C CA . GLY A 177 ? 1.4786 1.4155 1.6706 -0.1322 0.5866 -0.5014 205 GLY A CA 1082 C C . GLY A 177 ? 1.4596 1.3741 1.6593 -0.1335 0.5758 -0.4910 205 GLY A C 1083 O O . GLY A 177 ? 1.5695 1.4212 1.7368 -0.1452 0.5760 -0.4994 205 GLY A O 1084 N N . ARG A 178 ? 1.3146 1.4239 1.5957 0.0622 0.6257 -0.4502 206 ARG A N 1085 C CA . ARG A 178 ? 1.4507 1.5044 1.7143 0.0637 0.6226 -0.4296 206 ARG A CA 1086 C C . ARG A 178 ? 1.5796 1.6430 1.8379 0.1316 0.6243 -0.4134 206 ARG A C 1087 O O . ARG A 178 ? 1.5543 1.7204 1.8656 0.1486 0.6075 -0.4055 206 ARG A O 1088 C CB . ARG A 178 ? 1.3541 1.4695 1.6653 0.0190 0.5984 -0.4196 206 ARG A CB 1089 C CG . ARG A 178 ? 1.3730 1.4820 1.6899 -0.0447 0.5889 -0.4340 206 ARG A CG 1090 C CD . ARG A 178 ? 1.3689 1.3889 1.6476 -0.0779 0.5993 -0.4352 206 ARG A CD 1091 N NE . ARG A 178 ? 1.3017 1.3230 1.5863 -0.0723 0.5966 -0.4137 206 ARG A NE 1092 C CZ . ARG A 178 ? 1.3648 1.3221 1.6195 -0.1034 0.6081 -0.4098 206 ARG A CZ 1093 N NH1 . ARG A 178 ? 1.5418 1.4327 1.7642 -0.1455 0.6198 -0.4278 206 ARG A NH1 1094 N NH2 . ARG A 178 ? 1.2762 1.2398 1.5321 -0.0966 0.6083 -0.3892 206 ARG A NH2 1095 N N . GLU A 179 ? 1.7362 1.6904 1.9261 0.1721 0.6420 -0.4099 207 GLU A N 1096 C CA . GLU A 179 ? 1.7806 1.6691 1.9314 0.1959 0.6422 -0.3845 207 GLU A CA 1097 C C . GLU A 179 ? 1.7238 1.7184 1.9309 0.2127 0.6202 -0.3667 207 GLU A C 1098 O O . GLU A 179 ? 1.5753 1.6610 1.8200 0.2617 0.6096 -0.3688 207 GLU A O 1099 C CB . GLU A 179 ? 1.8670 1.6554 1.9761 0.1325 0.6516 -0.3781 207 GLU A CB 1100 N N . ASP A 180 ? 1.7111 1.6940 1.9226 0.1662 0.6142 -0.3524 208 ASP A N 1101 C CA . ASP A 180 ? 1.7020 1.7508 1.9461 0.1733 0.5957 -0.3334 208 ASP A CA 1102 C C . ASP A 180 ? 1.5870 1.7802 1.9117 0.1792 0.5706 -0.3407 208 ASP A C 1103 O O . ASP A 180 ? 1.5915 1.8412 1.9390 0.2003 0.5533 -0.3273 208 ASP A O 1104 C CB . ASP A 180 ? 1.5120 1.5319 1.7520 0.1090 0.5974 -0.3272 208 ASP A CB 1105 C CG . ASP A 180 ? 1.3466 1.4115 1.6308 0.0474 0.5897 -0.3495 208 ASP A CG 1106 O OD1 . ASP A 180 ? 1.3155 1.4629 1.6483 0.0476 0.5744 -0.3629 208 ASP A OD1 1107 O OD2 . ASP A 180 ? 1.3135 1.3232 1.5759 -0.0022 0.6003 -0.3552 208 ASP A OD2 1108 N N . GLY A 181 ? 1.4734 1.7232 1.8360 0.1561 0.5678 -0.3614 209 GLY A N 1109 C CA . GLY A 181 ? 1.2758 1.6496 1.7052 0.1489 0.5450 -0.3670 209 GLY A CA 1110 C C . GLY A 181 ? 1.1410 1.5474 1.6003 0.0888 0.5225 -0.3672 209 GLY A C 1111 O O . GLY A 181 ? 1.2129 1.6951 1.7060 0.0739 0.4936 -0.3654 209 GLY A O 1112 N N . HIS A 182 ? 1.0038 1.3509 1.4429 0.0552 0.5275 -0.3651 210 HIS A N 1113 C CA . HIS A 182 ? 0.9408 1.3256 1.4095 0.0093 0.5048 -0.3700 210 HIS A CA 1114 C C . HIS A 182 ? 0.9933 1.3970 1.4740 -0.0281 0.4937 -0.3871 210 HIS A C 1115 O O . HIS A 182 ? 1.0621 1.4392 1.5244 -0.0286 0.5103 -0.3974 210 HIS A O 1116 C CB . HIS A 182 ? 0.8956 1.2237 1.3406 -0.0191 0.5127 -0.3671 210 HIS A CB 1117 C CG . HIS A 182 ? 1.0439 1.3569 1.4715 0.0062 0.5178 -0.3466 210 HIS A CG 1118 N ND1 . HIS A 182 ? 1.1253 1.3603 1.5003 0.0369 0.5426 -0.3318 210 HIS A ND1 1119 C CD2 . HIS A 182 ? 1.0203 1.3802 1.4676 0.0074 0.5009 -0.3384 210 HIS A CD2 1120 C CE1 . HIS A 182 ? 1.1163 1.3497 1.4769 0.0531 0.5416 -0.3132 210 HIS A CE1 1121 N NE2 . HIS A 182 ? 1.0672 1.3811 1.4743 0.0356 0.5174 -0.3178 210 HIS A NE2 1122 N N . LEU A 183 ? 0.9441 1.3885 1.4480 -0.0567 0.4636 -0.3901 211 LEU A N 1123 C CA . LEU A 183 ? 0.8914 1.3488 1.3988 -0.0917 0.4501 -0.4055 211 LEU A CA 1124 C C . LEU A 183 ? 0.8353 1.2488 1.3268 -0.1264 0.4526 -0.4217 211 LEU A C 1125 O O . LEU A 183 ? 0.7631 1.1746 1.2609 -0.1356 0.4435 -0.4221 211 LEU A O 1126 C CB . LEU A 183 ? 0.8522 1.3668 1.3843 -0.1016 0.4159 -0.4041 211 LEU A CB 1127 C CG . LEU A 183 ? 0.7641 1.3325 1.3125 -0.0812 0.4057 -0.3920 211 LEU A CG 1128 C CD1 . LEU A 183 ? 0.6652 1.2754 1.2333 -0.0989 0.3745 -0.3963 211 LEU A CD1 1129 C CD2 . LEU A 183 ? 0.6908 1.2707 1.2314 -0.0876 0.4200 -0.3969 211 LEU A CD2 1130 N N . TRP A 184 ? 0.8729 1.2562 1.3416 -0.1454 0.4619 -0.4351 212 TRP A N 1131 C CA . TRP A 184 ? 0.8985 1.2417 1.3475 -0.1788 0.4583 -0.4523 212 TRP A CA 1132 C C . TRP A 184 ? 0.8007 1.1462 1.2326 -0.2012 0.4444 -0.4648 212 TRP A C 1133 O O . TRP A 184 ? 0.7980 1.1668 1.2284 -0.1939 0.4488 -0.4599 212 TRP A O 1134 C CB . TRP A 184 ? 0.9276 1.2019 1.3460 -0.1793 0.4913 -0.4573 212 TRP A CB 1135 C CG . TRP A 184 ? 1.0296 1.2765 1.4220 -0.1621 0.5147 -0.4608 212 TRP A CG 1136 C CD1 . TRP A 184 ? 1.0484 1.3048 1.4419 -0.1201 0.5326 -0.4494 212 TRP A CD1 1137 C CD2 . TRP A 184 ? 0.9468 1.1601 1.3077 -0.1820 0.5217 -0.4800 212 TRP A CD2 1138 N NE1 . TRP A 184 ? 0.9984 1.2343 1.3662 -0.1110 0.5520 -0.4617 212 TRP A NE1 1139 C CE2 . TRP A 184 ? 1.0362 1.2418 1.3810 -0.1501 0.5469 -0.4797 212 TRP A CE2 1140 C CE3 . TRP A 184 ? 0.9578 1.1509 1.3008 -0.2203 0.5077 -0.4993 212 TRP A CE3 1141 C CZ2 . TRP A 184 ? 1.0308 1.2074 1.3407 -0.1571 0.5613 -0.4979 212 TRP A CZ2 1142 C CZ3 . TRP A 184 ? 1.1416 1.3003 1.4467 -0.2287 0.5201 -0.5157 212 TRP A CZ3 1143 C CH2 . TRP A 184 ? 1.0731 1.2228 1.3611 -0.1981 0.5481 -0.5146 212 TRP A CH2 1144 N N . CYS A 185 ? 0.8287 1.1538 1.2456 -0.2297 0.4275 -0.4819 213 CYS A N 1145 C CA . CYS A 185 ? 0.9044 1.2103 1.2874 -0.2514 0.4183 -0.4952 213 CYS A CA 1146 C C . CYS A 185 ? 0.9282 1.1894 1.2871 -0.2734 0.4236 -0.5170 213 CYS A C 1147 O O . CYS A 185 ? 0.8846 1.1388 1.2580 -0.2800 0.4279 -0.5233 213 CYS A O 1148 C CB . CYS A 185 ? 0.8606 1.1879 1.2383 -0.2635 0.3765 -0.4963 213 CYS A CB 1149 S SG . CYS A 185 ? 1.1331 1.4714 1.5272 -0.2704 0.3445 -0.5131 213 CYS A SG 1150 N N . ALA A 186 ? 0.9668 1.2001 1.2859 -0.2888 0.4234 -0.5296 214 ALA A N 1151 C CA . ALA A 186 ? 0.9619 1.1596 1.2538 -0.3136 0.4168 -0.5545 214 ALA A CA 1152 C C . ALA A 186 ? 1.0232 1.2465 1.3185 -0.3268 0.3710 -0.5664 214 ALA A C 1153 O O . ALA A 186 ? 0.9201 1.1637 1.2112 -0.3201 0.3435 -0.5565 214 ALA A O 1154 C CB . ALA A 186 ? 1.0170 1.1758 1.2584 -0.3210 0.4322 -0.5644 214 ALA A CB 1155 N N . THR A 187 ? 1.0475 1.2704 1.3495 -0.3446 0.3616 -0.5893 215 THR A N 1156 C CA . THR A 187 ? 1.0501 1.3031 1.3536 -0.3515 0.3160 -0.6084 215 THR A CA 1157 C C . THR A 187 ? 1.1387 1.3570 1.3903 -0.3687 0.3000 -0.6308 215 THR A C 1158 O O . THR A 187 ? 1.1957 1.4333 1.4375 -0.3697 0.2578 -0.6495 215 THR A O 1159 C CB . THR A 187 ? 0.9292 1.2279 1.2812 -0.3606 0.3125 -0.6238 215 THR A CB 1160 O OG1 . THR A 187 ? 1.0323 1.2987 1.3787 -0.3875 0.3442 -0.6379 215 THR A OG1 1161 C CG2 . THR A 187 ? 0.8796 1.2102 1.2729 -0.3415 0.3256 -0.6007 215 THR A CG2 1162 N N . THR A 188 ? 1.0529 1.2211 1.2678 -0.3774 0.3316 -0.6310 216 THR A N 1163 C CA . THR A 188 ? 1.3807 1.5079 1.5350 -0.3914 0.3232 -0.6487 216 THR A CA 1164 C C . THR A 188 ? 1.3357 1.4372 1.4493 -0.3825 0.3407 -0.6276 216 THR A C 1165 O O . THR A 188 ? 1.4881 1.6028 1.6272 -0.3676 0.3685 -0.6054 216 THR A O 1166 C CB . THR A 188 ? 1.2175 1.3077 1.3597 -0.4117 0.3498 -0.6718 216 THR A CB 1167 O OG1 . THR A 188 ? 1.4343 1.4876 1.5144 -0.4237 0.3376 -0.6913 216 THR A OG1 1168 C CG2 . THR A 188 ? 1.1755 1.2317 1.3204 -0.4000 0.4006 -0.6550 216 THR A CG2 1169 N N . GLN A 189 ? 1.3509 1.4210 1.3996 -0.3921 0.3250 -0.6348 217 GLN A N 1170 C CA . GLN A 189 ? 1.3782 1.4395 1.3961 -0.3889 0.3457 -0.6121 217 GLN A CA 1171 C C . GLN A 189 ? 1.2918 1.3342 1.2963 -0.3865 0.3960 -0.6155 217 GLN A C 1172 O O . GLN A 189 ? 1.2311 1.2869 1.2252 -0.3820 0.4204 -0.5993 217 GLN A O 1173 C CB . GLN A 189 ? 1.4800 1.5110 1.4227 -0.4014 0.3169 -0.6086 217 GLN A CB 1174 C CG . GLN A 189 ? 1.6191 1.6032 1.4877 -0.4162 0.3203 -0.6282 217 GLN A CG 1175 C CD . GLN A 189 ? 1.6659 1.6160 1.4513 -0.4304 0.3092 -0.6132 217 GLN A CD 1176 O OE1 . GLN A 189 ? 1.4759 1.4281 1.2541 -0.4319 0.2886 -0.5909 217 GLN A OE1 1177 N NE2 . GLN A 189 ? 1.8050 1.7173 1.5204 -0.4434 0.3243 -0.6256 217 GLN A NE2 1178 N N . ASP A 190 ? 1.2600 1.2735 1.2629 -0.3894 0.4118 -0.6382 218 ASP A N 1179 C CA . ASP A 190 ? 1.3527 1.3427 1.3476 -0.3764 0.4592 -0.6418 218 ASP A CA 1180 C C . ASP A 190 ? 1.3429 1.3161 1.3768 -0.3700 0.4744 -0.6479 218 ASP A C 1181 O O . ASP A 190 ? 1.3222 1.2614 1.3440 -0.3900 0.4660 -0.6717 218 ASP A O 1182 C CB . ASP A 190 ? 1.4710 1.4136 1.3944 -0.3873 0.4697 -0.6653 218 ASP A CB 1183 C CG . ASP A 190 ? 1.6478 1.5651 1.5580 -0.3658 0.5173 -0.6722 218 ASP A CG 1184 O OD1 . ASP A 190 ? 1.6838 1.6396 1.6167 -0.3426 0.5427 -0.6537 218 ASP A OD1 1185 O OD2 . ASP A 190 ? 1.7977 1.6579 1.6724 -0.3705 0.5275 -0.6984 218 ASP A OD2 1186 N N . TYR A 191 ? 1.3043 1.2979 1.3782 -0.3440 0.4982 -0.6271 219 TYR A N 1187 C CA . TYR A 191 ? 1.3858 1.3529 1.4857 -0.3370 0.5145 -0.6268 219 TYR A CA 1188 C C . TYR A 191 ? 1.3453 1.2335 1.3969 -0.3364 0.5428 -0.6486 219 TYR A C 1189 O O . TYR A 191 ? 1.3814 1.2224 1.4301 -0.3531 0.5470 -0.6595 219 TYR A O 1190 C CB . TYR A 191 ? 1.3153 1.3182 1.4576 -0.3028 0.5310 -0.5988 219 TYR A CB 1191 C CG . TYR A 191 ? 1.2214 1.1895 1.3801 -0.2910 0.5489 -0.5918 219 TYR A CG 1192 C CD1 . TYR A 191 ? 1.2992 1.2865 1.4939 -0.3091 0.5317 -0.5860 219 TYR A CD1 1193 C CD2 . TYR A 191 ? 1.2830 1.1974 1.4148 -0.2591 0.5831 -0.5908 219 TYR A CD2 1194 C CE1 . TYR A 191 ? 1.4056 1.3553 1.6049 -0.3032 0.5512 -0.5767 219 TYR A CE1 1195 C CE2 . TYR A 191 ? 1.3153 1.1808 1.4459 -0.2477 0.5986 -0.5811 219 TYR A CE2 1196 C CZ . TYR A 191 ? 1.5110 1.3920 1.6732 -0.2735 0.5840 -0.5727 219 TYR A CZ 1197 O OH . TYR A 191 ? 1.6052 1.4305 1.7555 -0.2672 0.6024 -0.5608 219 TYR A OH 1198 N N . GLY A 192 ? 1.3914 1.2627 1.4008 -0.3196 0.5631 -0.6566 220 GLY A N 1199 C CA . GLY A 192 ? 1.4892 1.2784 1.4438 -0.3137 0.5885 -0.6808 220 GLY A CA 1200 C C . GLY A 192 ? 1.5403 1.2785 1.4634 -0.3566 0.5699 -0.7095 220 GLY A C 1201 O O . GLY A 192 ? 1.6127 1.2770 1.5092 -0.3633 0.5810 -0.7201 220 GLY A O 1202 N N . LYS A 193 ? 1.5101 1.2887 1.4343 -0.3846 0.5354 -0.7169 221 LYS A N 1203 C CA . LYS A 193 ? 1.6753 1.4312 1.5814 -0.4212 0.5068 -0.7375 221 LYS A CA 1204 C C . LYS A 193 ? 1.6380 1.4144 1.5967 -0.4464 0.4927 -0.7379 221 LYS A C 1205 O O . LYS A 193 ? 1.7737 1.5011 1.7251 -0.4648 0.5036 -0.7453 221 LYS A O 1206 C CB . LYS A 193 ? 1.5407 1.3333 1.4235 -0.4333 0.4706 -0.7433 221 LYS A CB 1207 C CG . LYS A 193 ? 1.5805 1.3662 1.4501 -0.4620 0.4354 -0.7613 221 LYS A CG 1208 C CD . LYS A 193 ? 1.6194 1.4287 1.4531 -0.4666 0.3954 -0.7672 221 LYS A CD 1209 C CE . LYS A 193 ? 1.5197 1.3941 1.3940 -0.4676 0.3562 -0.7596 221 LYS A CE 1210 N NZ . LYS A 193 ? 1.5569 1.4349 1.3814 -0.4691 0.3123 -0.7679 221 LYS A NZ 1211 N N . ASP A 194 ? 1.4346 1.2834 1.4427 -0.4489 0.4683 -0.7301 222 ASP A N 1212 C CA . ASP A 194 ? 1.3951 1.2858 1.4541 -0.4746 0.4474 -0.7350 222 ASP A CA 1213 C C . ASP A 194 ? 1.3731 1.2579 1.4698 -0.4679 0.4751 -0.7144 222 ASP A C 1214 O O . ASP A 194 ? 1.3879 1.2724 1.5060 -0.4997 0.4772 -0.7253 222 ASP A O 1215 C CB . ASP A 194 ? 1.3275 1.2974 1.4159 -0.4716 0.4026 -0.7336 222 ASP A CB 1216 C CG . ASP A 194 ? 1.5884 1.5608 1.6336 -0.4767 0.3661 -0.7457 222 ASP A CG 1217 O OD1 . ASP A 194 ? 1.7404 1.6731 1.7521 -0.4927 0.3697 -0.7601 222 ASP A OD1 1218 O OD2 . ASP A 194 ? 1.3404 1.3436 1.3755 -0.4638 0.3339 -0.7410 222 ASP A OD2 1219 N N . GLU A 195 ? 1.4847 1.3690 1.5878 -0.4283 0.4959 -0.6839 223 GLU A N 1220 C CA . GLU A 195 ? 1.4713 1.3404 1.5972 -0.4119 0.5222 -0.6601 223 GLU A CA 1221 C C . GLU A 195 ? 1.4119 1.3516 1.5982 -0.4248 0.5032 -0.6500 223 GLU A C 1222 O O . GLU A 195 ? 1.2791 1.2014 1.4782 -0.4332 0.5214 -0.6404 223 GLU A O 1223 C CB . GLU A 195 ? 1.6323 1.3984 1.7105 -0.4252 0.5541 -0.6721 223 GLU A CB 1224 C CG . GLU A 195 ? 1.8801 1.5956 1.9505 -0.3950 0.5859 -0.6457 223 GLU A CG 1225 C CD . GLU A 195 ? 2.1237 1.8428 2.2206 -0.4237 0.5894 -0.6355 223 GLU A CD 1226 O OE1 . GLU A 195 ? 2.2194 1.9476 2.3245 -0.4770 0.5787 -0.6582 223 GLU A OE1 1227 O OE2 . GLU A 195 ? 2.1637 1.8851 2.2741 -0.3939 0.6025 -0.6062 223 GLU A OE2 1228 N N . ARG A 196 ? 1.3133 1.3295 1.5307 -0.4238 0.4666 -0.6516 224 ARG A N 1229 C CA . ARG A 196 ? 1.1961 1.2869 1.4692 -0.4291 0.4449 -0.6470 224 ARG A CA 1230 C C . ARG A 196 ? 1.2454 1.3771 1.5447 -0.3901 0.4394 -0.6156 224 ARG A C 1231 O O . ARG A 196 ? 1.2709 1.4191 1.5590 -0.3739 0.4201 -0.6101 224 ARG A O 1232 C CB . ARG A 196 ? 1.1599 1.3038 1.4442 -0.4498 0.4021 -0.6759 224 ARG A CB 1233 N N . TRP A 197 ? 1.0008 0.7797 1.0133 -0.3143 0.1489 -0.1133 225 TRP A N 1234 C CA . TRP A 197 ? 0.9793 0.7692 1.0265 -0.2941 0.1667 -0.1062 225 TRP A CA 1235 C C . TRP A 197 ? 0.9626 0.8024 1.0204 -0.3132 0.1556 -0.0789 225 TRP A C 1236 O O . TRP A 197 ? 0.9806 0.8412 1.0253 -0.3378 0.1335 -0.0588 225 TRP A O 1237 C CB . TRP A 197 ? 1.0818 0.8060 1.1456 -0.2814 0.1576 -0.1130 225 TRP A CB 1238 C CG . TRP A 197 ? 1.1941 0.8941 1.2573 -0.3086 0.1216 -0.0917 225 TRP A CG 1239 C CD1 . TRP A 197 ? 1.2407 0.9037 1.2857 -0.3295 0.0970 -0.0929 225 TRP A CD1 1240 C CD2 . TRP A 197 ? 1.1993 0.9152 1.2867 -0.3160 0.1065 -0.0633 225 TRP A CD2 1241 N NE1 . TRP A 197 ? 1.3175 0.9710 1.3834 -0.3464 0.0704 -0.0619 225 TRP A NE1 1242 C CE2 . TRP A 197 ? 1.2121 0.8984 1.2997 -0.3396 0.0771 -0.0419 225 TRP A CE2 1243 C CE3 . TRP A 197 ? 1.1601 0.9136 1.2711 -0.3082 0.1156 -0.0556 225 TRP A CE3 1244 C CZ2 . TRP A 197 ? 1.1368 0.8314 1.2464 -0.3547 0.0613 -0.0064 225 TRP A CZ2 1245 C CZ3 . TRP A 197 ? 1.0774 0.8414 1.2007 -0.3277 0.0967 -0.0269 225 TRP A CZ3 1246 C CH2 . TRP A 197 ? 1.0427 0.7781 1.1634 -0.3503 0.0716 0.0012 225 TRP A CH2 1247 N N . GLY A 198 ? 0.9477 0.8074 1.0301 -0.2963 0.1668 -0.0779 226 GLY A N 1248 C CA . GLY A 198 ? 0.9953 0.9004 1.0796 -0.3083 0.1560 -0.0584 226 GLY A CA 1249 C C . GLY A 198 ? 0.9786 0.8938 1.0896 -0.2955 0.1652 -0.0692 226 GLY A C 1250 O O . GLY A 198 ? 0.9597 0.8575 1.0964 -0.2718 0.1835 -0.0889 226 GLY A O 1251 N N . PHE A 199 ? 0.8698 0.8187 0.9769 -0.3142 0.1530 -0.0557 227 PHE A N 1252 C CA . PHE A 199 ? 0.9634 0.9328 1.0946 -0.3118 0.1585 -0.0717 227 PHE A CA 1253 C C . PHE A 199 ? 0.7999 0.7994 0.9423 -0.2924 0.1878 -0.0977 227 PHE A C 1254 O O . PHE A 199 ? 0.8036 0.8218 0.9288 -0.2844 0.2033 -0.0951 227 PHE A O 1255 C CB . PHE A 199 ? 1.0218 1.0319 1.1347 -0.3330 0.1358 -0.0509 227 PHE A CB 1256 C CG . PHE A 199 ? 1.0432 1.0235 1.1545 -0.3434 0.1057 -0.0169 227 PHE A CG 1257 C CD1 . PHE A 199 ? 1.0029 0.9613 1.1419 -0.3315 0.0897 -0.0130 227 PHE A CD1 1258 C CD2 . PHE A 199 ? 1.0338 1.0067 1.1252 -0.3648 0.0949 0.0139 227 PHE A CD2 1259 C CE1 . PHE A 199 ? 1.0131 0.9390 1.1582 -0.3374 0.0662 0.0227 227 PHE A CE1 1260 C CE2 . PHE A 199 ? 1.0444 0.9811 1.1444 -0.3751 0.0701 0.0469 227 PHE A CE2 1261 C CZ . PHE A 199 ? 0.9937 0.9039 1.1200 -0.3594 0.0573 0.0517 227 PHE A CZ 1262 N N . CYS A 200 ? 0.7365 0.7392 0.9146 -0.2842 0.1940 -0.1213 228 CYS A N 1263 C CA . CYS A 200 ? 0.8205 0.8405 1.0199 -0.2671 0.2210 -0.1488 228 CYS A CA 1264 C C . CYS A 200 ? 0.8437 0.9129 1.0302 -0.2900 0.2231 -0.1669 228 CYS A C 1265 O O . CYS A 200 ? 0.8595 0.9531 1.0314 -0.3073 0.1947 -0.1638 228 CYS A O 1266 C CB . CYS A 200 ? 1.0458 1.0460 1.2981 -0.2485 0.2261 -0.1665 228 CYS A CB 1267 S SG . CYS A 200 ? 1.2751 1.2297 1.5420 -0.2176 0.2400 -0.1529 228 CYS A SG 1268 N N . PRO A 201 ? 0.8209 0.9044 1.0038 -0.2785 0.2515 -0.1829 229 PRO A N 1269 C CA . PRO A 201 ? 0.9276 1.0574 1.0997 -0.2980 0.2612 -0.2121 229 PRO A CA 1270 C C . PRO A 201 ? 0.9028 1.0339 1.1087 -0.3019 0.2469 -0.2496 229 PRO A C 1271 O O . PRO A 201 ? 0.8698 0.9705 1.1335 -0.2893 0.2608 -0.2672 229 PRO A O 1272 C CB . PRO A 201 ? 0.8840 1.0055 1.0580 -0.2721 0.2961 -0.2211 229 PRO A CB 1273 C CG . PRO A 201 ? 0.7237 0.7939 0.9323 -0.2403 0.3012 -0.2110 229 PRO A CG 1274 C CD . PRO A 201 ? 0.5161 0.5727 0.7116 -0.2441 0.2758 -0.1800 229 PRO A CD 1275 N N . ILE A 202 ? 0.8820 1.0545 1.0515 -0.3173 0.2170 -0.2578 230 ILE A N 1276 C CA . ILE A 202 ? 1.0047 1.1933 1.2017 -0.3257 0.1952 -0.2940 230 ILE A CA 1277 C C . ILE A 202 ? 1.0165 1.2394 1.1889 -0.3331 0.2073 -0.3449 230 ILE A C 1278 O O . ILE A 202 ? 0.9862 1.2489 1.0923 -0.3369 0.2068 -0.3380 230 ILE A O 1279 C CB . ILE A 202 ? 1.0448 1.2616 1.2188 -0.3354 0.1472 -0.2613 230 ILE A CB 1280 C CG1 . ILE A 202 ? 0.9172 1.0889 1.1429 -0.3246 0.1396 -0.2343 230 ILE A CG1 1281 C CG2 . ILE A 202 ? 1.1780 1.4505 1.3440 -0.3497 0.1167 -0.2957 230 ILE A CG2 1282 C CD1 . ILE A 202 ? 1.0285 1.2174 1.2426 -0.3285 0.0985 -0.1943 230 ILE A CD1 1283 N N . LYS A 203 ? 0.9759 1.1874 1.2016 -0.3370 0.2146 -0.3969 231 LYS A N 1284 C CA . LYS A 203 ? 0.9586 1.2006 1.1598 -0.3480 0.2171 -0.4571 231 LYS A CA 1285 C C . LYS A 203 ? 1.1262 1.4231 1.3067 -0.3677 0.1634 -0.4721 231 LYS A C 1286 O O . LYS A 203 ? 1.2029 1.4963 1.4456 -0.3768 0.1408 -0.4853 231 LYS A O 1287 C CB . LYS A 203 ? 0.8738 1.0722 1.1482 -0.3458 0.2538 -0.5118 231 LYS A CB 1288 C CG . LYS A 203 ? 0.8725 1.0290 1.1651 -0.3232 0.3120 -0.5008 231 LYS A CG 1289 C CD . LYS A 203 ? 0.9692 1.0979 1.3246 -0.3153 0.3456 -0.5469 231 LYS A CD 1290 C CE . LYS A 203 ? 1.0048 1.0938 1.4067 -0.2910 0.4008 -0.5183 231 LYS A CE 1291 N NZ . LYS A 203 ? 1.0100 1.0711 1.4809 -0.2737 0.4151 -0.4735 231 LYS A NZ 1292 N N . SER A 204 ? 1.1918 1.5476 1.2870 -0.3725 0.1440 -0.4635 232 SER A N 1293 C CA . SER A 204 ? 1.2776 1.7024 1.3374 -0.3870 0.0913 -0.4603 232 SER A CA 1294 C C . SER A 204 ? 1.4339 1.9179 1.4130 -0.3932 0.0901 -0.5068 232 SER A C 1295 O O . SER A 204 ? 1.4414 1.9156 1.3808 -0.3820 0.1299 -0.5185 232 SER A O 1296 C CB . SER A 204 ? 1.1480 1.5932 1.1783 -0.3814 0.0664 -0.3778 232 SER A CB 1297 O OG . SER A 204 ? 1.1071 1.6318 1.0945 -0.3911 0.0190 -0.3636 232 SER A OG 1298 N N . ASN A 205 ? 1.6837 2.2339 1.6398 -0.4093 0.0449 -0.5344 233 ASN A N 1299 C CA . ASN A 205 ? 1.9326 2.5561 1.7958 -0.4139 0.0351 -0.5742 233 ASN A CA 1300 C C . ASN A 205 ? 1.9135 2.6138 1.7042 -0.4083 0.0053 -0.5013 233 ASN A C 1301 O O . ASN A 205 ? 1.9686 2.7480 1.6715 -0.4085 -0.0067 -0.5177 233 ASN A O 1302 C CB . ASN A 205 ? 2.1393 2.7947 2.0160 -0.4328 0.0040 -0.6521 233 ASN A CB 1303 C CG . ASN A 205 ? 2.2336 2.8022 2.1840 -0.4255 0.0447 -0.7066 233 ASN A CG 1304 O OD1 . ASN A 205 ? 2.2438 2.7910 2.1629 -0.4125 0.0834 -0.7421 233 ASN A OD1 1305 N ND2 . ASN A 205 ? 2.2730 2.7931 2.3261 -0.4303 0.0386 -0.7047 233 ASN A ND2 1306 N N . ASP A 206 ? 1.8206 2.4988 1.6477 -0.4020 -0.0050 -0.4204 234 ASP A N 1307 C CA . ASP A 206 ? 1.8121 2.5492 1.5804 -0.3952 -0.0226 -0.3431 234 ASP A CA 1308 C C . ASP A 206 ? 1.6301 2.3136 1.4025 -0.3832 0.0141 -0.2837 234 ASP A C 1309 O O . ASP A 206 ? 1.3828 1.9863 1.2052 -0.3786 0.0482 -0.2959 234 ASP A O 1310 C CB . ASP A 206 ? 1.8948 2.6625 1.7004 -0.3992 -0.0721 -0.2922 234 ASP A CB 1311 C CG . ASP A 206 ? 1.9991 2.8374 1.8044 -0.4139 -0.1158 -0.3449 234 ASP A CG 1312 O OD1 . ASP A 206 ? 2.0264 2.9060 1.7764 -0.4218 -0.1134 -0.4161 234 ASP A OD1 1313 O OD2 . ASP A 206 ? 2.0185 2.8710 1.8820 -0.4176 -0.1522 -0.3185 234 ASP A OD2 1314 N N . CYS A 207 ? 1.6856 2.4211 1.4103 -0.3794 0.0021 -0.2127 235 CYS A N 1315 C CA . CYS A 207 ? 1.6838 2.3918 1.4062 -0.3738 0.0262 -0.1454 235 CYS A CA 1316 C C . CYS A 207 ? 1.6965 2.3637 1.4715 -0.3757 0.0052 -0.0735 235 CYS A C 1317 O O . CYS A 207 ? 1.7643 2.4195 1.5354 -0.3761 0.0164 -0.0121 235 CYS A O 1318 C CB . CYS A 207 ? 1.7802 2.5746 1.4186 -0.3688 0.0342 -0.1153 235 CYS A CB 1319 S SG . CYS A 207 ? 1.9304 2.7566 1.5087 -0.3622 0.0652 -0.2157 235 CYS A SG 1320 N N . GLU A 208 ? 1.1842 1.6339 1.7978 0.1143 0.1118 -0.4325 236 GLU A N 1321 C CA . GLU A 208 ? 1.0071 1.4023 1.5925 0.1473 0.1230 -0.4140 236 GLU A CA 1322 C C . GLU A 208 ? 1.0090 1.2880 1.5293 0.0867 0.1753 -0.3657 236 GLU A C 1323 O O . GLU A 208 ? 0.9015 1.1670 1.4478 0.0211 0.2118 -0.3758 236 GLU A O 1324 C CB . GLU A 208 ? 0.7639 1.2440 1.4764 0.1663 0.1230 -0.4877 236 GLU A CB 1325 N N . THR A 209 ? 1.0865 1.2787 1.5134 0.1136 0.1803 -0.3136 237 THR A N 1326 C CA . THR A 209 ? 1.2617 1.3524 1.6371 0.0822 0.2253 -0.2814 237 THR A CA 1327 C C . THR A 209 ? 1.1716 1.2085 1.4955 0.0111 0.2501 -0.2550 237 THR A C 1328 O O . THR A 209 ? 1.3015 1.2576 1.5667 -0.0070 0.2778 -0.2269 237 THR A O 1329 C CB . THR A 209 ? 1.3624 1.4639 1.8107 0.0687 0.2550 -0.3201 237 THR A CB 1330 O OG1 . THR A 209 ? 1.3524 1.4987 1.8652 0.0131 0.2731 -0.3577 237 THR A OG1 1331 C CG2 . THR A 209 ? 1.4402 1.6023 1.9505 0.1454 0.2276 -0.3534 237 THR A CG2 1332 N N . PHE A 210 ? 1.0095 1.0918 1.3584 -0.0259 0.2416 -0.2683 238 PHE A N 1333 C CA . PHE A 210 ? 0.9021 0.9439 1.2038 -0.0825 0.2580 -0.2471 238 PHE A CA 1334 C C . PHE A 210 ? 0.8889 0.9361 1.1523 -0.0842 0.2329 -0.2227 238 PHE A C 1335 O O . PHE A 210 ? 0.8750 0.9103 1.1172 -0.1256 0.2390 -0.2139 238 PHE A O 1336 C CB . PHE A 210 ? 0.6197 0.6811 0.9606 -0.1250 0.2825 -0.2729 238 PHE A CB 1337 C CG . PHE A 210 ? 0.6379 0.6745 0.9980 -0.1346 0.3179 -0.2928 238 PHE A CG 1338 C CD1 . PHE A 210 ? 0.7584 0.7287 1.0583 -0.1543 0.3398 -0.2763 238 PHE A CD1 1339 C CD2 . PHE A 210 ? 0.6947 0.7783 1.1411 -0.1256 0.3321 -0.3362 238 PHE A CD2 1340 C CE1 . PHE A 210 ? 0.7969 0.7423 1.1113 -0.1638 0.3750 -0.2968 238 PHE A CE1 1341 C CE2 . PHE A 210 ? 0.7747 0.8313 1.2414 -0.1362 0.3705 -0.3570 238 PHE A CE2 1342 C CZ . PHE A 210 ? 0.8296 0.8141 1.2242 -0.1550 0.3916 -0.3341 238 PHE A CZ 1343 N N . TRP A 211 ? 1.0159 1.0865 1.2705 -0.0361 0.2036 -0.2153 239 TRP A N 1344 C CA . TRP A 211 ? 0.9454 1.0271 1.1697 -0.0386 0.1826 -0.1981 239 TRP A CA 1345 C C . TRP A 211 ? 0.8984 0.9314 1.0507 0.0094 0.1764 -0.1653 239 TRP A C 1346 O O . TRP A 211 ? 0.9569 0.9803 1.0952 0.0671 0.1713 -0.1628 239 TRP A O 1347 C CB . TRP A 211 ? 0.9437 1.1207 1.2367 -0.0308 0.1554 -0.2341 239 TRP A CB 1348 C CG . TRP A 211 ? 0.8074 1.0103 1.1657 -0.0771 0.1794 -0.2636 239 TRP A CG 1349 C CD1 . TRP A 211 ? 0.8203 1.0444 1.2413 -0.0790 0.2000 -0.2986 239 TRP A CD1 1350 C CD2 . TRP A 211 ? 0.7760 0.9751 1.1371 -0.1239 0.1935 -0.2590 239 TRP A CD2 1351 N NE1 . TRP A 211 ? 0.7939 1.0167 1.2477 -0.1259 0.2334 -0.3134 239 TRP A NE1 1352 C CE2 . TRP A 211 ? 0.6842 0.8893 1.0971 -0.1501 0.2285 -0.2865 239 TRP A CE2 1353 C CE3 . TRP A 211 ? 0.6905 0.8763 1.0140 -0.1430 0.1839 -0.2341 239 TRP A CE3 1354 C CZ2 . TRP A 211 ? 0.5926 0.7651 0.9862 -0.1804 0.2476 -0.2777 239 TRP A CZ2 1355 C CZ3 . TRP A 211 ? 0.7362 0.9170 1.0713 -0.1799 0.2034 -0.2342 239 TRP A CZ3 1356 C CH2 . TRP A 211 ? 0.6985 0.8572 1.0457 -0.1868 0.2292 -0.2483 239 TRP A CH2 1357 N N . ASP A 212 ? 0.8954 0.8928 0.9993 -0.0104 0.1811 -0.1404 240 ASP A N 1358 C CA . ASP A 212 ? 1.0906 1.0481 1.1227 0.0362 0.1777 -0.1115 240 ASP A CA 1359 C C . ASP A 212 ? 1.0088 1.0448 1.0524 0.0607 0.1362 -0.1260 240 ASP A C 1360 O O . ASP A 212 ? 0.9330 1.0196 1.0221 0.0166 0.1257 -0.1434 240 ASP A O 1361 C CB . ASP A 212 ? 1.2358 1.1061 1.2159 0.0000 0.2166 -0.0843 240 ASP A CB 1362 C CG . ASP A 212 ? 1.3738 1.1704 1.3477 -0.0217 0.2612 -0.0805 240 ASP A CG 1363 O OD1 . ASP A 212 ? 1.4342 1.2185 1.4105 0.0141 0.2663 -0.0810 240 ASP A OD1 1364 O OD2 . ASP A 212 ? 1.4639 1.2236 1.4397 -0.0733 0.2899 -0.0844 240 ASP A OD2 1365 N N . LYS A 213 ? 1.1206 1.1644 1.1180 0.1362 0.1138 -0.1201 241 LYS A N 1366 C CA . LYS A 213 ? 1.1657 1.2866 1.1611 0.1717 0.0715 -0.1393 241 LYS A CA 1367 C C . LYS A 213 ? 1.2917 1.3325 1.1747 0.1953 0.0877 -0.0956 241 LYS A C 1368 O O . LYS A 213 ? 1.3397 1.2746 1.1311 0.2342 0.1206 -0.0536 241 LYS A O 1369 C CB . LYS A 213 ? 1.1881 1.3901 1.2079 0.2510 0.0274 -0.1743 241 LYS A CB 1370 C CG . LYS A 213 ? 1.2544 1.5621 1.2816 0.3014 -0.0263 -0.2126 241 LYS A CG 1371 C CD . LYS A 213 ? 1.3994 1.7551 1.4051 0.4079 -0.0691 -0.2333 241 LYS A CD 1372 C CE . LYS A 213 ? 1.4737 1.9790 1.5277 0.4606 -0.1343 -0.3020 241 LYS A CE 1373 N NZ . LYS A 213 ? 1.6653 2.1475 1.5985 0.5051 -0.1514 -0.2750 241 LYS A NZ 1374 N N . ASP A 214 ? 1.2307 1.3080 1.1227 0.1650 0.0769 -0.1047 242 ASP A N 1375 C CA . ASP A 214 ? 1.2262 1.2413 1.0123 0.1958 0.0894 -0.0720 242 ASP A CA 1376 C C . ASP A 214 ? 1.2413 1.3184 0.9784 0.2910 0.0398 -0.0876 242 ASP A C 1377 O O . ASP A 214 ? 1.1597 1.3649 0.9728 0.2949 -0.0089 -0.1411 242 ASP A O 1378 C CB . ASP A 214 ? 1.1551 1.1929 0.9766 0.1296 0.0952 -0.0815 242 ASP A CB 1379 C CG . ASP A 214 ? 1.2978 1.2677 1.0141 0.1535 0.1164 -0.0516 242 ASP A CG 1380 O OD1 . ASP A 214 ? 1.4386 1.3399 1.0400 0.2289 0.1265 -0.0203 242 ASP A OD1 1381 O OD2 . ASP A 214 ? 1.2317 1.2116 0.9762 0.1000 0.1265 -0.0587 242 ASP A OD2 1382 N N . GLN A 215 ? 1.4376 1.4223 1.0445 0.3712 0.0552 -0.0443 243 GLN A N 1383 C CA . GLN A 215 ? 1.5987 1.6443 1.1426 0.4800 0.0003 -0.0595 243 GLN A CA 1384 C C . GLN A 215 ? 1.6770 1.7947 1.1994 0.4903 -0.0336 -0.0852 243 GLN A C 1385 O O . GLN A 215 ? 1.7578 1.9969 1.2940 0.5558 -0.0988 -0.1346 243 GLN A O 1386 C CB . GLN A 215 ? 1.8515 1.7580 1.2350 0.5727 0.0331 0.0037 243 GLN A CB 1387 C CG . GLN A 215 ? 1.8853 1.7372 1.3004 0.5741 0.0605 0.0189 243 GLN A CG 1388 C CD . GLN A 215 ? 1.8815 1.8523 1.3555 0.6471 -0.0066 -0.0272 243 GLN A CD 1389 O OE1 . GLN A 215 ? 1.6514 1.7268 1.2747 0.5929 -0.0297 -0.0812 243 GLN A OE1 1390 N NE2 . GLN A 215 ? 2.1133 2.0664 1.4681 0.7749 -0.0355 -0.0086 243 GLN A NE2 1391 N N . LEU A 216 ? 1.6405 1.6968 1.1416 0.4251 0.0083 -0.0621 244 LEU A N 1392 C CA . LEU A 216 ? 1.6612 1.7684 1.1229 0.4413 -0.0163 -0.0813 244 LEU A CA 1393 C C . LEU A 216 ? 1.4823 1.7528 1.1036 0.3852 -0.0620 -0.1567 244 LEU A C 1394 O O . LEU A 216 ? 1.5341 1.9193 1.1653 0.4335 -0.1162 -0.2083 244 LEU A O 1395 C CB . LEU A 216 ? 1.7548 1.7324 1.1356 0.3964 0.0512 -0.0325 244 LEU A CB 1396 C CG . LEU A 216 ? 1.9612 1.7537 1.1970 0.4354 0.1223 0.0397 244 LEU A CG 1397 C CD1 . LEU A 216 ? 2.0095 1.6872 1.1578 0.4064 0.1888 0.0737 244 LEU A CD1 1398 C CD2 . LEU A 216 ? 2.1674 1.9310 1.2694 0.5669 0.0972 0.0635 244 LEU A CD2 1399 N N . THR A 217 ? 1.2799 1.5647 1.0271 0.2902 -0.0396 -0.1689 245 THR A N 1400 C CA . THR A 217 ? 1.0733 1.4871 0.9669 0.2349 -0.0648 -0.2339 245 THR A CA 1401 C C . THR A 217 ? 0.9394 1.4496 0.9548 0.2346 -0.0902 -0.2866 245 THR A C 1402 O O . THR A 217 ? 0.8019 1.4151 0.9426 0.1933 -0.1013 -0.3468 245 THR A O 1403 C CB . THR A 217 ? 0.9805 1.3481 0.9286 0.1371 -0.0214 -0.2156 245 THR A CB 1404 O OG1 . THR A 217 ? 1.0611 1.3575 1.0271 0.1006 0.0110 -0.1850 245 THR A OG1 1405 C CG2 . THR A 217 ? 0.8540 1.1353 0.7015 0.1329 0.0079 -0.1753 245 THR A CG2 1406 N N . ASP A 218 ? 1.0170 1.4907 1.0054 0.2760 -0.0908 -0.2684 246 ASP A N 1407 C CA . ASP A 218 ? 1.0499 1.5955 1.1589 0.2635 -0.1003 -0.3147 246 ASP A CA 1408 C C . ASP A 218 ? 0.8439 1.3797 1.0558 0.1630 -0.0597 -0.3204 246 ASP A C 1409 O O . ASP A 218 ? 0.6346 1.2435 0.9641 0.1389 -0.0592 -0.3725 246 ASP A O 1410 C CB . ASP A 218 ? 1.1885 1.8954 1.3838 0.3128 -0.1567 -0.4031 246 ASP A CB 1411 C CG . ASP A 218 ? 1.4069 2.1347 1.4944 0.4327 -0.2075 -0.4026 246 ASP A CG 1412 O OD1 . ASP A 218 ? 1.6102 2.2175 1.5709 0.4786 -0.1900 -0.3321 246 ASP A OD1 1413 O OD2 . ASP A 218 ? 1.3807 2.2423 1.5050 0.4847 -0.2626 -0.4743 246 ASP A OD2 1414 N N . SER A 219 ? 0.8443 1.2889 1.0142 0.1070 -0.0223 -0.2707 247 SER A N 1415 C CA . SER A 219 ? 0.8163 1.2394 1.0570 0.0310 0.0123 -0.2685 247 SER A CA 1416 C C . SER A 219 ? 0.9838 1.3302 1.1955 0.0283 0.0362 -0.2365 247 SER A C 1417 O O . SER A 219 ? 1.1300 1.4007 1.2514 0.0634 0.0434 -0.1968 247 SER A O 1418 C CB . SER A 219 ? 0.9221 1.2975 1.1416 -0.0218 0.0347 -0.2395 247 SER A CB 1419 O OG . SER A 219 ? 1.0043 1.4500 1.2578 -0.0237 0.0175 -0.2720 247 SER A OG 1420 N N . CYS A 220 ? 0.9074 1.2655 1.1925 -0.0131 0.0561 -0.2549 248 CYS A N 1421 C CA . CYS A 220 ? 0.8484 1.1410 1.1139 -0.0225 0.0810 -0.2326 248 CYS A CA 1422 C C . CYS A 220 ? 0.8116 1.0430 1.0635 -0.0833 0.1122 -0.2063 248 CYS A C 1423 O O . CYS A 220 ? 0.8670 1.1220 1.1594 -0.1210 0.1195 -0.2171 248 CYS A O 1424 C CB . CYS A 220 ? 0.8415 1.1893 1.1898 -0.0146 0.0826 -0.2770 248 CYS A CB 1425 S SG . CYS A 220 ? 1.0895 1.5108 1.4480 0.0734 0.0378 -0.3116 248 CYS A SG 1426 N N . TYR A 221 ? 0.7564 0.9114 0.9534 -0.0879 0.1317 -0.1766 249 TYR A N 1427 C CA . TYR A 221 ? 0.8035 0.9090 0.9810 -0.1353 0.1535 -0.1598 249 TYR A CA 1428 C C . TYR A 221 ? 0.8713 0.9374 1.0421 -0.1449 0.1758 -0.1605 249 TYR A C 1429 O O . TYR A 221 ? 0.9262 0.9750 1.0887 -0.1138 0.1810 -0.1606 249 TYR A O 1430 C CB . TYR A 221 ? 0.8614 0.9166 0.9846 -0.1393 0.1599 -0.1352 249 TYR A CB 1431 C CG . TYR A 221 ? 1.0708 1.1602 1.1941 -0.1311 0.1416 -0.1351 249 TYR A CG 1432 C CD1 . TYR A 221 ? 1.0889 1.2095 1.2465 -0.1663 0.1361 -0.1427 249 TYR A CD1 1433 C CD2 . TYR A 221 ? 1.1424 1.2289 1.2234 -0.0830 0.1311 -0.1271 249 TYR A CD2 1434 C CE1 . TYR A 221 ? 1.0491 1.2011 1.2122 -0.1624 0.1231 -0.1464 249 TYR A CE1 1435 C CE2 . TYR A 221 ? 1.1004 1.2194 1.1748 -0.0755 0.1153 -0.1309 249 TYR A CE2 1436 C CZ . TYR A 221 ? 1.0213 1.1750 1.1437 -0.1198 0.1126 -0.1426 249 TYR A CZ 1437 O OH . TYR A 221 ? 0.9518 1.1390 1.0753 -0.1169 0.1005 -0.1505 249 TYR A OH 1438 N N . GLN A 222 ? 0.7587 0.8110 0.9285 -0.1828 0.1882 -0.1621 250 GLN A N 1439 C CA . GLN A 222 ? 0.6462 0.6622 0.8003 -0.1955 0.2097 -0.1668 250 GLN A CA 1440 C C . GLN A 222 ? 0.7241 0.7137 0.8449 -0.2248 0.2127 -0.1638 250 GLN A C 1441 O O . GLN A 222 ? 0.8849 0.8929 0.9997 -0.2343 0.1990 -0.1620 250 GLN A O 1442 C CB . GLN A 222 ? 0.6814 0.7164 0.8640 -0.2047 0.2230 -0.1832 250 GLN A CB 1443 C CG . GLN A 222 ? 0.7746 0.7797 0.9500 -0.2055 0.2469 -0.1937 250 GLN A CG 1444 C CD . GLN A 222 ? 0.8063 0.8183 1.0045 -0.2171 0.2720 -0.2101 250 GLN A CD 1445 O OE1 . GLN A 222 ? 0.6976 0.7070 0.8790 -0.2255 0.2735 -0.2036 250 GLN A OE1 1446 N NE2 . GLN A 222 ? 0.8778 0.8954 1.1154 -0.2060 0.2903 -0.2312 250 GLN A NE2 1447 N N . PHE A 223 ? 0.7980 0.7458 0.8978 -0.2300 0.2289 -0.1667 251 PHE A N 1448 C CA . PHE A 223 ? 0.8486 0.7889 0.9306 -0.2517 0.2275 -0.1806 251 PHE A CA 1449 C C . PHE A 223 ? 0.9306 0.8595 0.9989 -0.2633 0.2420 -0.2015 251 PHE A C 1450 O O . PHE A 223 ? 0.9051 0.7986 0.9760 -0.2644 0.2692 -0.2104 251 PHE A O 1451 C CB . PHE A 223 ? 0.8542 0.7617 0.9329 -0.2539 0.2430 -0.1832 251 PHE A CB 1452 C CG . PHE A 223 ? 0.8767 0.7875 0.9580 -0.2472 0.2348 -0.1662 251 PHE A CG 1453 C CD1 . PHE A 223 ? 1.0785 1.0211 1.1712 -0.2389 0.2173 -0.1513 251 PHE A CD1 1454 C CD2 . PHE A 223 ? 0.9573 0.8507 1.0366 -0.2517 0.2449 -0.1737 251 PHE A CD2 1455 C CE1 . PHE A 223 ? 1.1304 1.0785 1.2225 -0.2349 0.2115 -0.1400 251 PHE A CE1 1456 C CE2 . PHE A 223 ? 1.0307 0.9225 1.1080 -0.2474 0.2417 -0.1604 251 PHE A CE2 1457 C CZ . PHE A 223 ? 1.0879 1.0051 1.1672 -0.2399 0.2242 -0.1420 251 PHE A CZ 1458 N N . ASN A 224 ? 0.7954 0.7466 0.8444 -0.2740 0.2296 -0.2109 252 ASN A N 1459 C CA . ASN A 224 ? 0.7991 0.7388 0.8176 -0.2807 0.2420 -0.2314 252 ASN A CA 1460 C C . ASN A 224 ? 0.7986 0.7569 0.8053 -0.2957 0.2281 -0.2664 252 ASN A C 1461 O O . ASN A 224 ? 0.9187 0.9069 0.8949 -0.2890 0.2007 -0.2731 252 ASN A O 1462 C CB . ASN A 224 ? 0.7047 0.6469 0.6907 -0.2694 0.2421 -0.2171 252 ASN A CB 1463 C CG . ASN A 224 ? 0.7941 0.7330 0.8183 -0.2598 0.2596 -0.2008 252 ASN A CG 1464 O OD1 . ASN A 224 ? 0.8167 0.7727 0.8584 -0.2543 0.2544 -0.1866 252 ASN A OD1 1465 N ND2 . ASN A 224 ? 0.7718 0.6942 0.8173 -0.2569 0.2821 -0.2103 252 ASN A ND2 1466 N N . PHE A 225 ? 0.9187 0.9202 1.0845 -0.3073 0.2848 -0.3730 253 PHE A N 1467 C CA . PHE A 225 ? 0.7935 0.7894 0.9464 -0.3246 0.2977 -0.3870 253 PHE A CA 1468 C C . PHE A 225 ? 0.9174 0.9408 1.0803 -0.3371 0.3132 -0.4164 253 PHE A C 1469 O O . PHE A 225 ? 0.8302 0.8712 0.9762 -0.3510 0.3182 -0.4302 253 PHE A O 1470 C CB . PHE A 225 ? 0.9269 0.8733 1.0854 -0.3218 0.3074 -0.3854 253 PHE A CB 1471 C CG . PHE A 225 ? 0.9595 0.8721 1.0969 -0.3135 0.2958 -0.3575 253 PHE A CG 1472 C CD1 . PHE A 225 ? 0.9186 0.8346 1.0301 -0.3284 0.2949 -0.3526 253 PHE A CD1 1473 C CD2 . PHE A 225 ? 0.8892 0.7662 1.0320 -0.2899 0.2863 -0.3399 253 PHE A CD2 1474 C CE1 . PHE A 225 ? 0.9627 0.8486 1.0529 -0.3233 0.2871 -0.3290 253 PHE A CE1 1475 C CE2 . PHE A 225 ? 0.8466 0.6899 0.9640 -0.2819 0.2762 -0.3145 253 PHE A CE2 1476 C CZ . PHE A 225 ? 0.9687 0.8160 1.0590 -0.3002 0.2780 -0.3082 253 PHE A CZ 1477 N N . GLN A 226 ? 0.8831 0.9147 1.0740 -0.3305 0.3202 -0.4285 254 GLN A N 1478 C CA . GLN A 226 ? 0.9611 1.0200 1.1603 -0.3429 0.3362 -0.4574 254 GLN A CA 1479 C C . GLN A 226 ? 0.8803 0.9739 1.0490 -0.3536 0.3320 -0.4574 254 GLN A C 1480 O O . GLN A 226 ? 0.8656 0.9824 1.0195 -0.3617 0.3395 -0.4703 254 GLN A O 1481 C CB . GLN A 226 ? 0.9069 0.9677 1.1471 -0.3331 0.3457 -0.4743 254 GLN A CB 1482 C CG . GLN A 226 ? 1.0057 1.0206 1.2668 -0.3205 0.3486 -0.4751 254 GLN A CG 1483 C CD . GLN A 226 ? 1.2146 1.2122 1.4642 -0.3364 0.3617 -0.4865 254 GLN A CD 1484 O OE1 . GLN A 226 ? 1.2650 1.2971 1.5176 -0.3448 0.3726 -0.5021 254 GLN A OE1 1485 N NE2 . GLN A 226 ? 1.2665 1.2225 1.4989 -0.3356 0.3581 -0.4680 254 GLN A NE2 1486 N N . SER A 227 ? 0.8514 0.9488 1.0071 -0.3482 0.3180 -0.4357 255 SER A N 1487 C CA . SER A 227 ? 0.7791 0.8974 0.8990 -0.3586 0.3147 -0.4332 255 SER A CA 1488 C C . SER A 227 ? 0.8390 0.9582 0.9167 -0.3645 0.3057 -0.4325 255 SER A C 1489 O O . SER A 227 ? 0.8286 0.9373 0.9063 -0.3592 0.2979 -0.4255 255 SER A O 1490 C CB . SER A 227 ? 0.7182 0.8356 0.8342 -0.3525 0.3018 -0.4108 255 SER A CB 1491 O OG . SER A 227 ? 1.0495 1.1763 1.2070 -0.3467 0.3097 -0.4191 255 SER A OG 1492 N N . THR A 228 ? 0.8496 0.9849 0.8923 -0.3710 0.3068 -0.4366 256 THR A N 1493 C CA . THR A 228 ? 0.8195 0.9597 0.8192 -0.3669 0.2897 -0.4269 256 THR A CA 1494 C C . THR A 228 ? 0.8601 0.9932 0.8129 -0.3725 0.2835 -0.4164 256 THR A C 1495 O O . THR A 228 ? 1.0235 1.1629 0.9595 -0.3815 0.2954 -0.4239 256 THR A O 1496 C CB . THR A 228 ? 0.8713 1.0324 0.8745 -0.3664 0.2946 -0.4418 256 THR A CB 1497 O OG1 . THR A 228 ? 0.9283 1.1000 0.9312 -0.3758 0.3100 -0.4539 256 THR A OG1 1498 C CG2 . THR A 228 ? 0.7482 0.9108 0.7979 -0.3652 0.3064 -0.4536 256 THR A CG2 1499 N N . LEU A 229 ? 0.8672 0.9848 0.7966 -0.3683 0.2656 -0.3986 257 LEU A N 1500 C CA . LEU A 229 ? 0.7852 0.8869 0.6653 -0.3747 0.2599 -0.3867 257 LEU A CA 1501 C C . LEU A 229 ? 0.8812 0.9712 0.7192 -0.3609 0.2311 -0.3702 257 LEU A C 1502 O O . LEU A 229 ? 0.8762 0.9737 0.7345 -0.3492 0.2169 -0.3668 257 LEU A O 1503 C CB . LEU A 229 ? 0.7911 0.8888 0.7001 -0.3777 0.2647 -0.3714 257 LEU A CB 1504 C CG . LEU A 229 ? 0.8759 0.9904 0.8304 -0.3868 0.2900 -0.3871 257 LEU A CG 1505 C CD1 . LEU A 229 ? 0.8082 0.9267 0.7989 -0.3853 0.2907 -0.3769 257 LEU A CD1 1506 C CD2 . LEU A 229 ? 0.9115 1.0287 0.8294 -0.4045 0.3090 -0.4020 257 LEU A CD2 1507 N N . SER A 230 ? 0.8255 0.8950 0.6031 -0.3621 0.2230 -0.3607 258 SER A N 1508 C CA . SER A 230 ? 0.9596 1.0103 0.6942 -0.3472 0.1934 -0.3445 258 SER A CA 1509 C C . SER A 230 ? 0.9583 0.9995 0.7078 -0.3510 0.1872 -0.3327 258 SER A C 1510 O O . SER A 230 ? 0.9754 1.0208 0.7640 -0.3603 0.2037 -0.3261 258 SER A O 1511 C CB . SER A 230 ? 1.1012 1.1179 0.7602 -0.3482 0.1874 -0.3355 258 SER A CB 1512 O OG . SER A 230 ? 1.1393 1.1326 0.7809 -0.3713 0.2064 -0.3289 258 SER A OG 1513 N N . TRP A 231 ? 1.0642 1.0988 0.7959 -0.3344 0.1590 -0.3208 259 TRP A N 1514 C CA . TRP A 231 ? 0.9508 0.9820 0.7050 -0.3323 0.1492 -0.3047 259 TRP A CA 1515 C C . TRP A 231 ? 0.9460 0.9545 0.6873 -0.3452 0.1599 -0.2895 259 TRP A C 1516 O O . TRP A 231 ? 0.9243 0.9441 0.7129 -0.3494 0.1690 -0.2826 259 TRP A O 1517 C CB . TRP A 231 ? 0.7777 0.8051 0.5065 -0.3138 0.1169 -0.2991 259 TRP A CB 1518 C CG . TRP A 231 ? 0.8208 0.8515 0.5780 -0.3097 0.1056 -0.2843 259 TRP A CG 1519 C CD1 . TRP A 231 ? 0.7034 0.7588 0.5066 -0.3034 0.1016 -0.2851 259 TRP A CD1 1520 C CD2 . TRP A 231 ? 0.8242 0.8317 0.5654 -0.3113 0.0981 -0.2654 259 TRP A CD2 1521 N NE1 . TRP A 231 ? 0.8202 0.8723 0.6365 -0.2985 0.0901 -0.2678 259 TRP A NE1 1522 C CE2 . TRP A 231 ? 0.8510 0.8762 0.6335 -0.3031 0.0873 -0.2567 259 TRP A CE2 1523 C CE3 . TRP A 231 ? 0.8036 0.7742 0.4965 -0.3206 0.1010 -0.2556 259 TRP A CE3 1524 C CZ2 . TRP A 231 ? 0.7512 0.7648 0.5344 -0.3020 0.0775 -0.2411 259 TRP A CZ2 1525 C CZ3 . TRP A 231 ? 0.8236 0.7782 0.5163 -0.3223 0.0933 -0.2397 259 TRP A CZ3 1526 C CH2 . TRP A 231 ? 0.7563 0.7357 0.4973 -0.3121 0.0809 -0.2337 259 TRP A CH2 1527 N N . ARG A 232 ? 1.1069 1.0823 0.7824 -0.3525 0.1606 -0.2864 260 ARG A N 1528 C CA . ARG A 232 ? 1.1818 1.1319 0.8406 -0.3705 0.1752 -0.2741 260 ARG A CA 1529 C C . ARG A 232 ? 1.1257 1.0995 0.8328 -0.3898 0.2090 -0.2853 260 ARG A C 1530 O O . ARG A 232 ? 1.0978 1.0753 0.8335 -0.4017 0.2211 -0.2811 260 ARG A O 1531 C CB . ARG A 232 ? 1.3064 1.2047 0.8721 -0.3760 0.1710 -0.2674 260 ARG A CB 1532 C CG . ARG A 232 ? 1.4010 1.2691 0.9186 -0.3553 0.1347 -0.2554 260 ARG A CG 1533 C CD . ARG A 232 ? 1.6540 1.4581 1.0693 -0.3571 0.1279 -0.2467 260 ARG A CD 1534 N NE . ARG A 232 ? 1.8751 1.6498 1.2480 -0.3328 0.0894 -0.2377 260 ARG A NE 1535 C CZ . ARG A 232 ? 2.1327 1.8474 1.4173 -0.3208 0.0710 -0.2269 260 ARG A CZ 1536 N NH1 . ARG A 232 ? 2.2881 1.9618 1.5091 -0.3341 0.0895 -0.2226 260 ARG A NH1 1537 N NH2 . ARG A 232 ? 2.1592 1.8557 1.4235 -0.2921 0.0332 -0.2193 260 ARG A NH2 1538 N N . GLU A 233 ? 0.9587 0.9528 0.6799 -0.3923 0.2240 -0.3034 261 GLU A N 1539 C CA . GLU A 233 ? 1.0333 1.0546 0.8075 -0.4070 0.2536 -0.3180 261 GLU A CA 1540 C C . GLU A 233 ? 1.0197 1.0712 0.8727 -0.3950 0.2499 -0.3185 261 GLU A C 1541 O O . GLU A 233 ? 0.7880 0.8575 0.6856 -0.4031 0.2659 -0.3255 261 GLU A O 1542 C CB . GLU A 233 ? 0.9406 0.9757 0.7109 -0.4113 0.2693 -0.3390 261 GLU A CB 1543 C CG . GLU A 233 ? 0.9355 0.9408 0.6263 -0.4248 0.2774 -0.3402 261 GLU A CG 1544 C CD . GLU A 233 ? 1.1674 1.1869 0.8475 -0.4207 0.2819 -0.3595 261 GLU A CD 1545 O OE1 . GLU A 233 ? 1.0667 1.1153 0.7987 -0.4062 0.2750 -0.3694 261 GLU A OE1 1546 O OE2 . GLU A 233 ? 1.3375 1.3388 0.9657 -0.4283 0.2891 -0.3571 261 GLU A OE2 1547 N N . ALA A 234 ? 0.7955 0.8527 0.6641 -0.3754 0.2293 -0.3134 262 ALA A N 1548 C CA . ALA A 234 ? 0.7247 0.7994 0.6535 -0.3622 0.2234 -0.3094 262 ALA A CA 1549 C C . ALA A 234 ? 0.7763 0.8480 0.7137 -0.3611 0.2141 -0.2948 262 ALA A C 1550 O O . ALA A 234 ? 0.6993 0.7891 0.6855 -0.3595 0.2217 -0.2992 262 ALA A O 1551 C CB . ALA A 234 ? 0.7036 0.7794 0.6354 -0.3468 0.2062 -0.3065 262 ALA A CB 1552 N N . TRP A 235 ? 0.7896 0.8393 0.6798 -0.3607 0.1968 -0.2805 263 TRP A N 1553 C CA . TRP A 235 ? 0.7321 0.7748 0.6229 -0.3636 0.1900 -0.2688 263 TRP A CA 1554 C C . TRP A 235 ? 0.8901 0.9434 0.8047 -0.3829 0.2160 -0.2805 263 TRP A C 1555 O O . TRP A 235 ? 0.8501 0.9272 0.8166 -0.3792 0.2176 -0.2845 263 TRP A O 1556 C CB . TRP A 235 ? 0.9268 0.9329 0.7478 -0.3655 0.1737 -0.2563 263 TRP A CB 1557 C CG . TRP A 235 ? 1.1599 1.1465 0.9646 -0.3806 0.1794 -0.2493 263 TRP A CG 1558 C CD1 . TRP A 235 ? 1.3419 1.2965 1.0967 -0.4043 0.1985 -0.2504 263 TRP A CD1 1559 C CD2 . TRP A 235 ? 1.0946 1.0913 0.9326 -0.3764 0.1696 -0.2425 263 TRP A CD2 1560 N NE1 . TRP A 235 ? 1.3681 1.3106 1.1247 -0.4176 0.2028 -0.2452 263 TRP A NE1 1561 C CE2 . TRP A 235 ? 1.2900 1.2612 1.1005 -0.3996 0.1842 -0.2415 263 TRP A CE2 1562 C CE3 . TRP A 235 ? 0.8971 0.9208 0.7830 -0.3564 0.1512 -0.2381 263 TRP A CE3 1563 C CZ2 . TRP A 235 ? 1.3528 1.3296 1.1888 -0.4028 0.1802 -0.2390 263 TRP A CZ2 1564 C CZ3 . TRP A 235 ? 1.1274 1.1574 1.0356 -0.3567 0.1450 -0.2343 263 TRP A CZ3 1565 C CH2 . TRP A 235 ? 1.3305 1.3397 1.2175 -0.3796 0.1591 -0.2361 263 TRP A CH2 1566 N N . ALA A 236 ? 0.9921 1.0329 0.8718 -0.4030 0.2376 -0.2901 264 ALA A N 1567 C CA . ALA A 236 ? 0.9115 0.9647 0.8102 -0.4266 0.2664 -0.3055 264 ALA A CA 1568 C C . ALA A 236 ? 0.9043 1.0034 0.8828 -0.4187 0.2770 -0.3259 264 ALA A C 1569 O O . ALA A 236 ? 0.8399 0.9642 0.8610 -0.4276 0.2901 -0.3402 264 ALA A O 1570 C CB . ALA A 236 ? 0.8625 0.8914 0.7009 -0.4498 0.2883 -0.3119 264 ALA A CB 1571 N N . SER A 237 ? 0.8284 0.9379 0.8288 -0.4007 0.2705 -0.3295 265 SER A N 1572 C CA . SER A 237 ? 0.7885 0.9315 0.8571 -0.3901 0.2790 -0.3490 265 SER A CA 1573 C C . SER A 237 ? 0.7870 0.9451 0.9034 -0.3683 0.2607 -0.3434 265 SER A C 1574 O O . SER A 237 ? 0.6785 0.8668 0.8483 -0.3643 0.2679 -0.3624 265 SER A O 1575 C CB . SER A 237 ? 0.7132 0.8535 0.7852 -0.3789 0.2785 -0.3539 265 SER A CB 1576 O OG . SER A 237 ? 0.7738 0.9359 0.9071 -0.3641 0.2825 -0.3701 265 SER A OG 1577 N N . CYS A 238 ? 0.7395 0.8798 0.8375 -0.3527 0.2358 -0.3202 266 CYS A N 1578 C CA . CYS A 238 ? 0.7428 0.8960 0.8786 -0.3319 0.2176 -0.3138 266 CYS A CA 1579 C C . CYS A 238 ? 0.7258 0.8948 0.8739 -0.3439 0.2213 -0.3199 266 CYS A C 1580 O O . CYS A 238 ? 0.6714 0.8689 0.8704 -0.3310 0.2170 -0.3318 266 CYS A O 1581 C CB . CYS A 238 ? 0.6310 0.7641 0.7413 -0.3162 0.1928 -0.2898 266 CYS A CB 1582 S SG . CYS A 238 ? 0.7227 0.8380 0.8188 -0.3073 0.1914 -0.2863 266 CYS A SG 1583 N N . GLU A 239 ? 0.7257 0.8750 0.8267 -0.3689 0.2307 -0.3149 267 GLU A N 1584 C CA . GLU A 239 ? 0.8309 0.9903 0.9413 -0.3864 0.2398 -0.3232 267 GLU A CA 1585 C C . GLU A 239 ? 0.8248 1.0233 0.9867 -0.3990 0.2659 -0.3564 267 GLU A C 1586 O O . GLU A 239 ? 0.8275 1.0594 1.0382 -0.3959 0.2661 -0.3730 267 GLU A O 1587 C CB . GLU A 239 ? 0.9715 1.0881 1.0090 -0.4114 0.2459 -0.3094 267 GLU A CB 1588 C CG . GLU A 239 ? 1.1654 1.2770 1.2003 -0.4277 0.2486 -0.3096 267 GLU A CG 1589 C CD . GLU A 239 ? 1.3426 1.4711 1.3925 -0.4480 0.2797 -0.3321 267 GLU A CD 1590 O OE1 . GLU A 239 ? 1.3709 1.4962 1.4024 -0.4618 0.3027 -0.3431 267 GLU A OE1 1591 O OE2 . GLU A 239 ? 1.4778 1.6253 1.5583 -0.4484 0.2807 -0.3413 267 GLU A OE2 1592 N N . GLN A 240 ? 0.8176 1.0182 0.9739 -0.4095 0.2862 -0.3699 268 GLN A N 1593 C CA . GLN A 240 ? 0.8048 1.0423 1.0043 -0.4135 0.3086 -0.4023 268 GLN A CA 1594 C C . GLN A 240 ? 0.8302 1.1133 1.1130 -0.3887 0.2970 -0.4239 268 GLN A C 1595 O O . GLN A 240 ? 0.8280 1.1505 1.1575 -0.3881 0.3090 -0.4552 268 GLN A O 1596 C CB . GLN A 240 ? 0.7428 0.9728 0.9182 -0.4248 0.3287 -0.4121 268 GLN A CB 1597 C CG . GLN A 240 ? 0.7931 0.9842 0.8890 -0.4529 0.3451 -0.4010 268 GLN A CG 1598 C CD . GLN A 240 ? 0.8101 0.9890 0.8745 -0.4602 0.3562 -0.4042 268 GLN A CD 1599 O OE1 . GLN A 240 ? 0.8967 1.0862 0.9892 -0.4434 0.3471 -0.4066 268 GLN A OE1 1600 N NE2 . GLN A 240 ? 0.8878 1.0399 0.8890 -0.4868 0.3755 -0.4041 268 GLN A NE2 1601 N N . GLN A 241 ? 0.8178 1.0871 1.1056 -0.3561 0.2696 -0.4046 269 GLN A N 1602 C CA . GLN A 241 ? 0.8339 1.1314 1.1827 -0.3220 0.2532 -0.4192 269 GLN A CA 1603 C C . GLN A 241 ? 0.7699 1.0821 1.1386 -0.3073 0.2322 -0.4138 269 GLN A C 1604 O O . GLN A 241 ? 0.7530 1.0767 1.1561 -0.2722 0.2101 -0.4163 269 GLN A O 1605 C CB . GLN A 241 ? 0.7520 1.0217 1.0932 -0.2942 0.2376 -0.4034 269 GLN A CB 1606 C CG . GLN A 241 ? 0.8047 1.0555 1.1173 -0.3109 0.2565 -0.4047 269 GLN A CG 1607 C CD . GLN A 241 ? 0.7132 0.9365 1.0229 -0.2879 0.2460 -0.3947 269 GLN A CD 1608 O OE1 . GLN A 241 ? 0.6815 0.8979 1.0136 -0.2577 0.2273 -0.3900 269 GLN A OE1 1609 N NE2 . GLN A 241 ? 0.8043 1.0052 1.0760 -0.3028 0.2562 -0.3871 269 GLN A NE2 1610 N N . GLY A 242 ? 0.7181 1.0236 1.0593 -0.3316 0.2370 -0.4047 270 GLY A N 1611 C CA . GLY A 242 ? 0.7434 1.0622 1.1018 -0.3189 0.2169 -0.3998 270 GLY A CA 1612 C C . GLY A 242 ? 0.7557 1.0442 1.0863 -0.2915 0.1865 -0.3656 270 GLY A C 1613 O O . GLY A 242 ? 0.7209 1.0247 1.0746 -0.2683 0.1643 -0.3631 270 GLY A O 1614 N N . ALA A 243 ? 0.6214 0.8707 0.9038 -0.2944 0.1859 -0.3424 271 ALA A N 1615 C CA . ALA A 243 ? 0.5865 0.8088 0.8432 -0.2720 0.1624 -0.3146 271 ALA A CA 1616 C C . ALA A 243 ? 0.6733 0.8639 0.8709 -0.2902 0.1602 -0.2926 271 ALA A C 1617 O O . ALA A 243 ? 0.7067 0.8917 0.8820 -0.3155 0.1721 -0.2955 271 ALA A O 1618 C CB . ALA A 243 ? 0.5922 0.8000 0.8527 -0.2559 0.1639 -0.3143 271 ALA A CB 1619 N N . ASP A 244 ? 0.6396 0.8078 0.8100 -0.2766 0.1442 -0.2719 272 ASP A N 1620 C CA . ASP A 244 ? 0.8069 0.9489 0.9235 -0.2890 0.1389 -0.2562 272 ASP A CA 1621 C C . ASP A 244 ? 0.7280 0.8538 0.8267 -0.2789 0.1336 -0.2470 272 ASP A C 1622 O O . ASP A 244 ? 0.6968 0.8244 0.8196 -0.2617 0.1308 -0.2466 272 ASP A O 1623 C CB . ASP A 244 ? 0.9228 1.0653 1.0291 -0.2859 0.1193 -0.2446 272 ASP A CB 1624 C CG . ASP A 244 ? 1.0246 1.1388 1.0743 -0.3008 0.1149 -0.2345 272 ASP A CG 1625 O OD1 . ASP A 244 ? 1.1003 1.1957 1.1152 -0.3077 0.1210 -0.2336 272 ASP A OD1 1626 O OD2 . ASP A 244 ? 0.8226 0.9325 0.8628 -0.3057 0.1059 -0.2304 272 ASP A OD2 1627 N N . LEU A 245 ? 0.6361 0.7437 0.6901 -0.2901 0.1331 -0.2421 273 LEU A N 1628 C CA . LEU A 245 ? 0.6857 0.7831 0.7239 -0.2848 0.1299 -0.2390 273 LEU A CA 1629 C C . LEU A 245 ? 0.5800 0.6791 0.6254 -0.2677 0.1115 -0.2264 273 LEU A C 1630 O O . LEU A 245 ? 0.7548 0.8612 0.8016 -0.2605 0.0952 -0.2177 273 LEU A O 1631 C CB . LEU A 245 ? 0.6117 0.6961 0.6010 -0.2958 0.1265 -0.2400 273 LEU A CB 1632 C CG . LEU A 245 ? 0.7377 0.8140 0.7042 -0.3111 0.1444 -0.2528 273 LEU A CG 1633 C CD1 . LEU A 245 ? 0.6577 0.7188 0.5689 -0.3143 0.1323 -0.2525 273 LEU A CD1 1634 C CD2 . LEU A 245 ? 0.6334 0.7150 0.6226 -0.3093 0.1581 -0.2637 273 LEU A CD2 1635 N N . LEU A 246 ? 0.6559 0.7463 0.7026 -0.2632 0.1161 -0.2266 274 LEU A N 1636 C CA . LEU A 246 ? 0.6291 0.7148 0.6770 -0.2502 0.1046 -0.2151 274 LEU A CA 1637 C C . LEU A 246 ? 0.6408 0.7356 0.6661 -0.2494 0.0848 -0.2078 274 LEU A C 1638 O O . LEU A 246 ? 0.7226 0.8193 0.7224 -0.2588 0.0820 -0.2144 274 LEU A O 1639 C CB . LEU A 246 ? 0.7382 0.8068 0.7792 -0.2547 0.1179 -0.2194 274 LEU A CB 1640 C CG . LEU A 246 ? 0.6008 0.6572 0.6333 -0.2465 0.1111 -0.2074 274 LEU A CG 1641 C CD1 . LEU A 246 ? 0.6129 0.6566 0.6641 -0.2265 0.1070 -0.1969 274 LEU A CD1 1642 C CD2 . LEU A 246 ? 0.6435 0.6822 0.6631 -0.2590 0.1275 -0.2150 274 LEU A CD2 1643 N N . SER A 247 ? 0.7110 0.8133 0.7462 -0.2357 0.0694 -0.1967 275 SER A N 1644 C CA . SER A 247 ? 0.6696 0.7816 0.6880 -0.2320 0.0505 -0.1906 275 SER A CA 1645 C C . SER A 247 ? 0.6587 0.7638 0.6768 -0.2225 0.0492 -0.1814 275 SER A C 1646 O O . SER A 247 ? 0.6990 0.7941 0.7325 -0.2091 0.0511 -0.1740 275 SER A O 1647 C CB . SER A 247 ? 0.5682 0.6949 0.5932 -0.2257 0.0329 -0.1865 275 SER A CB 1648 O OG . SER A 247 ? 0.5737 0.7075 0.6282 -0.2120 0.0306 -0.1821 275 SER A OG 1649 N N . ILE A 248 ? 0.6929 0.8019 0.6907 -0.2292 0.0463 -0.1839 276 ILE A N 1650 C CA . ILE A 248 ? 0.6146 0.7134 0.6023 -0.2263 0.0488 -0.1759 276 ILE A CA 1651 C C . ILE A 248 ? 0.6886 0.8118 0.6711 -0.2186 0.0266 -0.1718 276 ILE A C 1652 O O . ILE A 248 ? 0.8335 0.9777 0.8060 -0.2261 0.0175 -0.1831 276 ILE A O 1653 C CB . ILE A 248 ? 0.6384 0.7282 0.6103 -0.2450 0.0670 -0.1879 276 ILE A CB 1654 C CG1 . ILE A 248 ? 0.6144 0.6850 0.5953 -0.2521 0.0869 -0.1952 276 ILE A CG1 1655 C CG2 . ILE A 248 ? 0.7007 0.7692 0.6555 -0.2474 0.0767 -0.1791 276 ILE A CG2 1656 C CD1 . ILE A 248 ? 0.6087 0.6765 0.5803 -0.2713 0.1046 -0.2125 276 ILE A CD1 1657 N N . THR A 249 ? 0.8362 0.9596 0.8271 -0.2012 0.0154 -0.1586 277 THR A N 1658 C CA . THR A 249 ? 0.8664 1.0161 0.8572 -0.1921 -0.0069 -0.1561 277 THR A CA 1659 C C . THR A 249 ? 0.8080 0.9553 0.7784 -0.1894 -0.0081 -0.1485 277 THR A C 1660 O O . THR A 249 ? 0.8022 0.9726 0.7734 -0.1798 -0.0266 -0.1464 277 THR A O 1661 C CB . THR A 249 ? 0.8392 0.9992 0.8545 -0.1748 -0.0204 -0.1510 277 THR A CB 1662 O OG1 . THR A 249 ? 0.8393 0.9803 0.8575 -0.1587 -0.0163 -0.1404 277 THR A OG1 1663 C CG2 . THR A 249 ? 0.8731 1.0325 0.9050 -0.1826 -0.0138 -0.1597 277 THR A CG2 1664 N N . GLU A 250 ? 0.8300 0.9473 0.7801 -0.1984 0.0121 -0.1445 278 GLU A N 1665 C CA . GLU A 250 ? 0.9168 1.0230 0.8396 -0.1973 0.0140 -0.1345 278 GLU A CA 1666 C C . GLU A 250 ? 0.9655 1.0290 0.8623 -0.2143 0.0425 -0.1326 278 GLU A C 1667 O O . GLU A 250 ? 1.0724 1.1124 0.9773 -0.2193 0.0573 -0.1356 278 GLU A O 1668 C CB . GLU A 250 ? 1.0283 1.1240 0.9492 -0.1700 -0.0008 -0.1167 278 GLU A CB 1669 C CG . GLU A 250 ? 1.2195 1.2793 1.1474 -0.1545 0.0053 -0.1079 278 GLU A CG 1670 C CD . GLU A 250 ? 1.4861 1.5343 1.4059 -0.1238 -0.0114 -0.0934 278 GLU A CD 1671 O OE1 . GLU A 250 ? 1.5986 1.6488 1.4910 -0.1196 -0.0191 -0.0848 278 GLU A OE1 1672 O OE2 . GLU A 250 ? 1.5891 1.6297 1.5301 -0.1027 -0.0176 -0.0932 278 GLU A OE2 1673 N N . ILE A 251 ? 0.8832 0.9345 0.7472 -0.2242 0.0515 -0.1280 279 ILE A N 1674 C CA . ILE A 251 ? 1.0247 1.0334 0.8606 -0.2473 0.0826 -0.1292 279 ILE A CA 1675 C C . ILE A 251 ? 1.0978 1.0425 0.9177 -0.2325 0.0919 -0.1092 279 ILE A C 1676 O O . ILE A 251 ? 1.2455 1.1542 1.0592 -0.2477 0.1157 -0.1137 279 ILE A O 1677 C CB . ILE A 251 ? 1.0326 1.0410 0.8327 -0.2666 0.0945 -0.1311 279 ILE A CB 1678 C CG1 . ILE A 251 ? 1.1779 1.1492 0.9547 -0.2996 0.1315 -0.1408 279 ILE A CG1 1679 C CG2 . ILE A 251 ? 0.9141 0.8910 0.6781 -0.2462 0.0852 -0.1043 279 ILE A CG2 1680 C CD1 . ILE A 251 ? 1.2985 1.2830 1.0480 -0.3288 0.1492 -0.1539 279 ILE A CD1 1681 N N . HIS A 252 ? 1.1813 1.1120 0.9958 -0.2010 0.0721 -0.0900 280 HIS A N 1682 C CA . HIS A 252 ? 1.3518 1.2243 1.1539 -0.1806 0.0757 -0.0751 280 HIS A CA 1683 C C . HIS A 252 ? 1.2612 1.1394 1.1029 -0.1824 0.0820 -0.0888 280 HIS A C 1684 O O . HIS A 252 ? 1.3163 1.1478 1.1466 -0.1908 0.1028 -0.0891 280 HIS A O 1685 C CB . HIS A 252 ? 1.5412 1.4126 1.3425 -0.1409 0.0475 -0.0602 280 HIS A CB 1686 C CG . HIS A 252 ? 1.8106 1.6305 1.6071 -0.1142 0.0456 -0.0514 280 HIS A CG 1687 N ND1 . HIS A 252 ? 1.9927 1.7327 1.7364 -0.1128 0.0616 -0.0356 280 HIS A ND1 1688 C CD2 . HIS A 252 ? 1.8084 1.6447 1.6472 -0.0894 0.0311 -0.0597 280 HIS A CD2 1689 C CE1 . HIS A 252 ? 1.9763 1.6852 1.7299 -0.0834 0.0529 -0.0340 280 HIS A CE1 1690 N NE2 . HIS A 252 ? 1.8663 1.6375 1.6804 -0.0693 0.0347 -0.0503 280 HIS A NE2 1691 N N . GLU A 253 ? 1.0133 0.8925 0.9551 -0.0916 0.2504 -0.2588 281 GLU A N 1692 C CA . GLU A 253 ? 0.8201 0.6971 0.7878 -0.0897 0.2472 -0.2579 281 GLU A CA 1693 C C . GLU A 253 ? 0.8607 0.7379 0.8199 -0.1172 0.2609 -0.2533 281 GLU A C 1694 O O . GLU A 253 ? 0.9743 0.8183 0.9143 -0.1232 0.2626 -0.2490 281 GLU A O 1695 C CB . GLU A 253 ? 0.8155 0.7349 0.8398 -0.0768 0.2385 -0.2658 281 GLU A CB 1696 C CG . GLU A 253 ? 0.9071 0.8216 0.9510 -0.0734 0.2345 -0.2664 281 GLU A CG 1697 C CD . GLU A 253 ? 0.9706 0.9159 1.0605 -0.0624 0.2249 -0.2725 281 GLU A CD 1698 O OE1 . GLU A 253 ? 0.9388 0.9096 1.0501 -0.0561 0.2193 -0.2762 281 GLU A OE1 1699 O OE2 . GLU A 253 ? 0.8610 0.8046 0.9648 -0.0610 0.2225 -0.2747 281 GLU A OE2 1700 N N . GLN A 254 ? 0.7938 0.7096 0.7684 -0.1337 0.2700 -0.2577 282 GLN A N 1701 C CA . GLN A 254 ? 0.8360 0.7579 0.8052 -0.1608 0.2827 -0.2569 282 GLN A CA 1702 C C . GLN A 254 ? 1.0300 0.8985 0.9418 -0.1783 0.2931 -0.2479 282 GLN A C 1703 O O . GLN A 254 ? 1.1495 0.9989 1.0536 -0.1907 0.2969 -0.2450 282 GLN A O 1704 C CB . GLN A 254 ? 0.7764 0.7500 0.7704 -0.1743 0.2903 -0.2690 282 GLN A CB 1705 C CG . GLN A 254 ? 0.7717 0.7587 0.7660 -0.2028 0.3027 -0.2726 282 GLN A CG 1706 C CD . GLN A 254 ? 0.7583 0.7551 0.7821 -0.2009 0.2923 -0.2707 282 GLN A CD 1707 O OE1 . GLN A 254 ? 0.7402 0.7679 0.8055 -0.1869 0.2772 -0.2748 282 GLN A OE1 1708 N NE2 . GLN A 254 ? 0.8390 0.8064 0.8379 -0.2164 0.2992 -0.2645 282 GLN A NE2 1709 N N . THR A 255 ? 1.0577 0.8979 0.9251 -0.1813 0.2967 -0.2434 283 THR A N 1710 C CA . THR A 255 ? 1.2269 1.0068 1.0326 -0.2018 0.3043 -0.2322 283 THR A CA 1711 C C . THR A 255 ? 1.2884 1.0100 1.0761 -0.1832 0.2887 -0.2252 283 THR A C 1712 O O . THR A 255 ? 1.3879 1.0657 1.1457 -0.1988 0.2923 -0.2198 283 THR A O 1713 C CB . THR A 255 ? 1.3937 1.1513 1.1458 -0.2132 0.3105 -0.2267 283 THR A CB 1714 O OG1 . THR A 255 ? 1.5516 1.2959 1.2992 -0.1814 0.2920 -0.2251 283 THR A OG1 1715 C CG2 . THR A 255 ? 1.3415 1.1646 1.1152 -0.2354 0.3296 -0.2408 283 THR A CG2 1716 N N . TYR A 256 ? 1.2474 0.9692 1.0559 -0.1501 0.2710 -0.2289 284 TYR A N 1717 C CA . TYR A 256 ? 1.2081 0.8907 1.0165 -0.1305 0.2563 -0.2311 284 TYR A CA 1718 C C . TYR A 256 ? 1.1326 0.8345 0.9720 -0.1419 0.2641 -0.2378 284 TYR A C 1719 O O . TYR A 256 ? 1.1140 0.7744 0.9345 -0.1457 0.2620 -0.2388 284 TYR A O 1720 C CB . TYR A 256 ? 1.0520 0.7499 0.8917 -0.0957 0.2388 -0.2403 284 TYR A CB 1721 C CG . TYR A 256 ? 1.0228 0.6924 0.8728 -0.0749 0.2245 -0.2505 284 TYR A CG 1722 C CD1 . TYR A 256 ? 1.2373 0.8393 1.0442 -0.0622 0.2076 -0.2480 284 TYR A CD1 1723 C CD2 . TYR A 256 ? 1.1635 0.8731 1.0650 -0.0696 0.2269 -0.2645 284 TYR A CD2 1724 C CE1 . TYR A 256 ? 1.4277 1.0080 1.2519 -0.0405 0.1924 -0.2640 284 TYR A CE1 1725 C CE2 . TYR A 256 ? 1.2922 0.9850 1.2081 -0.0527 0.2167 -0.2806 284 TYR A CE2 1726 C CZ . TYR A 256 ? 1.4653 1.0960 1.3470 -0.0362 0.1989 -0.2826 284 TYR A CZ 1727 O OH . TYR A 256 ? 1.5402 1.1614 1.4441 -0.0156 0.1839 -0.3017 284 TYR A OH 1728 N N . ILE A 257 ? 0.9624 0.7248 0.8475 -0.1473 0.2709 -0.2430 285 ILE A N 1729 C CA . ILE A 257 ? 1.1101 0.8933 1.0186 -0.1609 0.2773 -0.2479 285 ILE A CA 1730 C C . ILE A 257 ? 1.3135 1.0721 1.1911 -0.1892 0.2895 -0.2443 285 ILE A C 1731 O O . ILE A 257 ? 1.2995 1.0328 1.1692 -0.1945 0.2902 -0.2486 285 ILE A O 1732 C CB . ILE A 257 ? 0.9688 0.8126 0.9213 -0.1640 0.2779 -0.2503 285 ILE A CB 1733 C CG1 . ILE A 257 ? 0.9011 0.7639 0.8835 -0.1393 0.2660 -0.2541 285 ILE A CG1 1734 C CG2 . ILE A 257 ? 0.7733 0.6346 0.7406 -0.1801 0.2819 -0.2534 285 ILE A CG2 1735 C CD1 . ILE A 257 ? 0.8583 0.7059 0.8473 -0.1267 0.2609 -0.2618 285 ILE A CD1 1736 N N . ASN A 258 ? 1.2617 1.0312 1.1243 -0.2094 0.3005 -0.2398 286 ASN A N 1737 C CA . ASN A 258 ? 1.1989 0.9433 1.0292 -0.2403 0.3142 -0.2373 286 ASN A CA 1738 C C . ASN A 258 ? 1.1749 0.8420 0.9585 -0.2377 0.3079 -0.2311 286 ASN A C 1739 O O . ASN A 258 ? 1.2395 0.8798 1.0094 -0.2552 0.3130 -0.2332 286 ASN A O 1740 C CB . ASN A 258 ? 1.2116 0.9721 1.0240 -0.2621 0.3280 -0.2356 286 ASN A CB 1741 C CG . ASN A 258 ? 1.2125 1.0503 1.0766 -0.2651 0.3322 -0.2475 286 ASN A CG 1742 O OD1 . ASN A 258 ? 1.2167 1.0878 1.1055 -0.2822 0.3382 -0.2560 286 ASN A OD1 1743 N ND2 . ASN A 258 ? 1.2005 1.0664 1.0822 -0.2471 0.3263 -0.2502 286 ASN A ND2 1744 N N . GLY A 259 ? 1.0441 0.6731 0.8042 -0.2143 0.2935 -0.2252 287 GLY A N 1745 C CA . GLY A 259 ? 1.1455 0.6929 0.8574 -0.2090 0.2811 -0.2190 287 GLY A CA 1746 C C . GLY A 259 ? 1.3004 0.8352 1.0372 -0.1935 0.2712 -0.2326 287 GLY A C 1747 O O . GLY A 259 ? 1.4530 0.9311 1.1613 -0.2017 0.2673 -0.2330 287 GLY A O 1748 N N . LEU A 260 ? 1.2956 0.8855 1.0861 -0.1749 0.2689 -0.2458 288 LEU A N 1749 C CA . LEU A 260 ? 1.2100 0.8005 1.0271 -0.1643 0.2639 -0.2636 288 LEU A CA 1750 C C . LEU A 260 ? 1.2650 0.8794 1.0926 -0.1927 0.2800 -0.2686 288 LEU A C 1751 O O . LEU A 260 ? 1.3743 0.9756 1.2091 -0.1915 0.2776 -0.2824 288 LEU A O 1752 C CB . LEU A 260 ? 1.1434 0.7834 1.0086 -0.1401 0.2581 -0.2768 288 LEU A CB 1753 C CG . LEU A 260 ? 1.2311 0.8559 1.0994 -0.1068 0.2393 -0.2806 288 LEU A CG 1754 C CD1 . LEU A 260 ? 1.2262 0.9168 1.1498 -0.0917 0.2357 -0.2902 288 LEU A CD1 1755 C CD2 . LEU A 260 ? 1.2459 0.8034 1.0909 -0.0863 0.2191 -0.2898 288 LEU A CD2 1756 N N . LEU A 261 ? 1.1896 0.8425 1.0210 -0.2166 0.2942 -0.2599 289 LEU A N 1757 C CA . LEU A 261 ? 1.1638 0.8422 1.0055 -0.2431 0.3066 -0.2657 289 LEU A CA 1758 C C . LEU A 261 ? 1.3416 0.9736 1.1453 -0.2698 0.3149 -0.2622 289 LEU A C 1759 O O . LEU A 261 ? 1.3167 0.9687 1.1288 -0.2929 0.3249 -0.2693 289 LEU A O 1760 C CB . LEU A 261 ? 1.1468 0.8907 1.0166 -0.2545 0.3136 -0.2623 289 LEU A CB 1761 C CG . LEU A 261 ? 1.0517 0.8458 0.9606 -0.2389 0.3064 -0.2653 289 LEU A CG 1762 C CD1 . LEU A 261 ? 0.9156 0.7600 0.8470 -0.2478 0.3075 -0.2610 289 LEU A CD1 1763 C CD2 . LEU A 261 ? 1.0014 0.8077 0.9222 -0.2447 0.3072 -0.2765 289 LEU A CD2 1764 N N . THR A 262 ? 1.5105 1.0795 1.2695 -0.2697 0.3103 -0.2511 290 THR A N 1765 C CA . THR A 262 ? 1.6125 1.1309 1.3293 -0.3008 0.3190 -0.2457 290 THR A CA 1766 C C . THR A 262 ? 1.6126 1.0989 1.3317 -0.3025 0.3145 -0.2598 290 THR A C 1767 O O . THR A 262 ? 1.6260 1.0827 1.3495 -0.2728 0.2955 -0.2653 290 THR A O 1768 C CB . THR A 262 ? 1.6927 1.1372 1.3502 -0.3011 0.3111 -0.2281 290 THR A CB 1769 O OG1 . THR A 262 ? 1.7404 1.1389 1.3928 -0.2637 0.2861 -0.2304 290 THR A OG1 1770 C CG2 . THR A 262 ? 1.6693 1.1491 1.3197 -0.3073 0.3202 -0.2172 290 THR A CG2 1771 N N . GLY A 263 ? 1.6135 1.1232 1.3383 -0.3305 0.3275 -0.2623 291 GLY A N 1772 C CA . GLY A 263 ? 1.5575 1.0549 1.2889 -0.3306 0.3219 -0.2711 291 GLY A CA 1773 C C . GLY A 263 ? 1.4911 1.0614 1.2693 -0.3298 0.3267 -0.2862 291 GLY A C 1774 O O . GLY A 263 ? 1.6784 1.2472 1.4616 -0.3370 0.3263 -0.2955 291 GLY A O 1775 N N . TYR A 264 ? 1.2374 0.8683 1.0456 -0.3246 0.3306 -0.2886 292 TYR A N 1776 C CA . TYR A 264 ? 1.1127 0.8055 0.9559 -0.3250 0.3321 -0.3000 292 TYR A CA 1777 C C . TYR A 264 ? 1.2152 0.9593 1.0709 -0.3487 0.3419 -0.2998 292 TYR A C 1778 O O . TYR A 264 ? 1.1738 0.9226 1.0241 -0.3591 0.3478 -0.2929 292 TYR A O 1779 C CB . TYR A 264 ? 1.0399 0.7610 0.9076 -0.2999 0.3240 -0.3029 292 TYR A CB 1780 C CG . TYR A 264 ? 1.1674 0.8692 1.0429 -0.2745 0.3124 -0.3118 292 TYR A CG 1781 C CD1 . TYR A 264 ? 1.2868 1.0175 1.1813 -0.2753 0.3123 -0.3266 292 TYR A CD1 1782 C CD2 . TYR A 264 ? 1.2071 0.8670 1.0733 -0.2492 0.3000 -0.3086 292 TYR A CD2 1783 C CE1 . TYR A 264 ? 1.2866 1.0104 1.1962 -0.2525 0.3017 -0.3403 292 TYR A CE1 1784 C CE2 . TYR A 264 ? 1.2415 0.8918 1.1235 -0.2230 0.2855 -0.3220 292 TYR A CE2 1785 C CZ . TYR A 264 ? 1.3062 0.9916 1.2125 -0.2252 0.2872 -0.3390 292 TYR A CZ 1786 O OH . TYR A 264 ? 1.4901 1.1749 1.4178 -0.2006 0.2736 -0.3574 292 TYR A OH 1787 N N . SER A 265 ? 1.1990 0.9848 1.0726 -0.3567 0.3417 -0.3096 293 SER A N 1788 C CA . SER A 265 ? 1.1891 1.0303 1.0816 -0.3701 0.3419 -0.3117 293 SER A CA 1789 C C . SER A 265 ? 1.2196 1.0953 1.1290 -0.3619 0.3329 -0.3155 293 SER A C 1790 O O . SER A 265 ? 1.2628 1.1413 1.1694 -0.3622 0.3323 -0.3238 293 SER A O 1791 C CB . SER A 265 ? 1.1350 0.9923 1.0252 -0.3910 0.3466 -0.3198 293 SER A CB 1792 O OG . SER A 265 ? 1.2006 1.1125 1.1127 -0.3975 0.3401 -0.3234 293 SER A OG 1793 N N . SER A 266 ? 1.1235 1.0269 1.0500 -0.3570 0.3255 -0.3094 294 SER A N 1794 C CA . SER A 266 ? 0.9376 0.8615 0.8722 -0.3436 0.3155 -0.3051 294 SER A CA 1795 C C . SER A 266 ? 0.7528 0.7084 0.7077 -0.3342 0.3026 -0.2925 294 SER A C 1796 O O . SER A 266 ? 0.8955 0.8533 0.8602 -0.3298 0.3039 -0.2887 294 SER A O 1797 C CB . SER A 266 ? 0.7955 0.6889 0.7241 -0.3238 0.3187 -0.3065 294 SER A CB 1798 O OG . SER A 266 ? 0.8369 0.7523 0.7738 -0.3152 0.3124 -0.3042 294 SER A OG 1799 N N . THR A 267 ? 0.9324 0.9096 0.8914 -0.3317 0.2898 -0.2870 295 THR A N 1800 C CA . THR A 267 ? 0.7929 0.7935 0.7713 -0.3206 0.2722 -0.2752 295 THR A CA 1801 C C . THR A 267 ? 0.9018 0.8969 0.8743 -0.3119 0.2673 -0.2668 295 THR A C 1802 O O . THR A 267 ? 1.0195 1.0173 0.9737 -0.3253 0.2668 -0.2684 295 THR A O 1803 C CB . THR A 267 ? 0.7412 0.7720 0.7277 -0.3327 0.2548 -0.2763 295 THR A CB 1804 O OG1 . THR A 267 ? 0.7904 0.8323 0.7870 -0.3439 0.2626 -0.2890 295 THR A OG1 1805 C CG2 . THR A 267 ? 0.9309 0.9796 0.9403 -0.3180 0.2323 -0.2665 295 THR A CG2 1806 N N . LEU A 268 ? 0.8719 0.8615 0.8583 -0.2926 0.2648 -0.2599 296 LEU A N 1807 C CA . LEU A 268 ? 0.7499 0.7333 0.7322 -0.2867 0.2652 -0.2565 296 LEU A CA 1808 C C . LEU A 268 ? 0.8574 0.8507 0.8555 -0.2769 0.2466 -0.2427 296 LEU A C 1809 O O . LEU A 268 ? 0.9479 0.9502 0.9673 -0.2651 0.2362 -0.2395 296 LEU A O 1810 C CB . LEU A 268 ? 0.7241 0.6869 0.7094 -0.2705 0.2786 -0.2647 296 LEU A CB 1811 C CG . LEU A 268 ? 0.8995 0.8408 0.8705 -0.2750 0.2932 -0.2794 296 LEU A CG 1812 C CD1 . LEU A 268 ? 0.6784 0.6063 0.6465 -0.2757 0.2958 -0.2773 296 LEU A CD1 1813 C CD2 . LEU A 268 ? 1.0162 0.9395 0.9902 -0.2588 0.2999 -0.2914 296 LEU A CD2 1814 N N . TRP A 269 ? 0.8536 0.8454 0.8420 -0.2831 0.2433 -0.2369 297 TRP A N 1815 C CA . TRP A 269 ? 0.7007 0.6930 0.7020 -0.2747 0.2251 -0.2234 297 TRP A CA 1816 C C . TRP A 269 ? 0.7101 0.6988 0.7368 -0.2505 0.2296 -0.2271 297 TRP A C 1817 O O . TRP A 269 ? 0.7140 0.6959 0.7407 -0.2433 0.2465 -0.2382 297 TRP A O 1818 C CB . TRP A 269 ? 0.7725 0.7595 0.7509 -0.2934 0.2233 -0.2157 297 TRP A CB 1819 C CG . TRP A 269 ? 0.9689 0.9557 0.9149 -0.3184 0.2126 -0.2074 297 TRP A CG 1820 C CD1 . TRP A 269 ? 0.9824 0.9720 0.8955 -0.3437 0.2267 -0.2136 297 TRP A CD1 1821 C CD2 . TRP A 269 ? 1.0056 0.9911 0.9489 -0.3196 0.1834 -0.1943 297 TRP A CD2 1822 N NE1 . TRP A 269 ? 0.9097 0.8963 0.7925 -0.3629 0.2078 -0.2014 297 TRP A NE1 1823 C CE2 . TRP A 269 ? 0.8915 0.8740 0.7933 -0.3469 0.1789 -0.1892 297 TRP A CE2 1824 C CE3 . TRP A 269 ? 0.9806 0.9693 0.9546 -0.2994 0.1589 -0.1896 297 TRP A CE3 1825 C CZ2 . TRP A 269 ? 0.9011 0.8790 0.7884 -0.3531 0.1475 -0.1771 297 TRP A CZ2 1826 C CZ3 . TRP A 269 ? 1.0139 1.0019 0.9810 -0.3039 0.1282 -0.1812 297 TRP A CZ3 1827 C CH2 . TRP A 269 ? 1.0107 0.9910 0.9332 -0.3298 0.1210 -0.1737 297 TRP A CH2 1828 N N . ILE A 270 ? 0.5861 0.5797 0.6357 -0.2365 0.2117 -0.2199 298 ILE A N 1829 C CA . ILE A 270 ? 0.5653 0.5575 0.6379 -0.2150 0.2120 -0.2226 298 ILE A CA 1830 C C . ILE A 270 ? 0.7410 0.7296 0.8241 -0.2142 0.1914 -0.2111 298 ILE A C 1831 O O . ILE A 270 ? 0.7101 0.6928 0.7791 -0.2294 0.1750 -0.1992 298 ILE A O 1832 C CB . ILE A 270 ? 0.6890 0.6912 0.7808 -0.1986 0.2121 -0.2296 298 ILE A CB 1833 C CG1 . ILE A 270 ? 0.6171 0.6373 0.7261 -0.1998 0.1923 -0.2280 298 ILE A CG1 1834 C CG2 . ILE A 270 ? 0.5546 0.5487 0.6278 -0.2033 0.2326 -0.2381 298 ILE A CG2 1835 C CD1 . ILE A 270 ? 0.5320 0.5728 0.6664 -0.1862 0.1934 -0.2401 298 ILE A CD1 1836 N N . GLY A 271 ? 0.6269 0.6149 0.7324 -0.1965 0.1900 -0.2143 299 GLY A N 1837 C CA . GLY A 271 ? 0.6228 0.6015 0.7371 -0.1981 0.1716 -0.2041 299 GLY A CA 1838 C C . GLY A 271 ? 0.6692 0.6480 0.8035 -0.1887 0.1417 -0.1974 299 GLY A C 1839 O O . GLY A 271 ? 0.8228 0.7848 0.9610 -0.1911 0.1206 -0.1866 299 GLY A O 1840 N N . LEU A 272 ? 0.6092 0.6062 0.7573 -0.1792 0.1384 -0.2058 300 LEU A N 1841 C CA . LEU A 272 ? 0.5805 0.5873 0.7591 -0.1657 0.1098 -0.2085 300 LEU A CA 1842 C C . LEU A 272 ? 0.6958 0.6841 0.8565 -0.1801 0.0817 -0.1931 300 LEU A C 1843 O O . LEU A 272 ? 0.7403 0.7289 0.8730 -0.1979 0.0867 -0.1890 300 LEU A O 1844 C CB . LEU A 272 ? 0.5673 0.6057 0.7645 -0.1575 0.1193 -0.2264 300 LEU A CB 1845 C CG . LEU A 272 ? 0.7625 0.8244 1.0026 -0.1412 0.0924 -0.2395 300 LEU A CG 1846 C CD1 . LEU A 272 ? 0.7198 0.7779 0.9910 -0.1204 0.0774 -0.2433 300 LEU A CD1 1847 C CD2 . LEU A 272 ? 0.5857 0.6854 0.8430 -0.1390 0.1101 -0.2614 300 LEU A CD2 1848 N N . ASN A 273 ? 0.6500 0.6184 0.8238 -0.1729 0.0497 -0.1843 301 ASN A N 1849 C CA . ASN A 273 ? 0.8054 0.7464 0.9525 -0.1874 0.0186 -0.1664 301 ASN A CA 1850 C C . ASN A 273 ? 0.8532 0.7781 1.0316 -0.1679 -0.0268 -0.1652 301 ASN A C 1851 O O . ASN A 273 ? 0.7602 0.6842 0.9724 -0.1496 -0.0327 -0.1726 301 ASN A O 1852 C CB . ASN A 273 ? 0.8889 0.7968 0.9826 -0.2181 0.0296 -0.1450 301 ASN A CB 1853 C CG . ASN A 273 ? 0.9455 0.8289 1.0435 -0.2184 0.0262 -0.1370 301 ASN A CG 1854 O OD1 . ASN A 273 ? 1.0113 0.8683 1.1224 -0.2093 -0.0088 -0.1286 301 ASN A OD1 1855 N ND2 . ASN A 273 ? 1.0839 0.9775 1.1777 -0.2256 0.0610 -0.1436 301 ASN A ND2 1856 N N . ASP A 274 ? 0.9868 0.8960 1.1518 -0.1720 -0.0617 -0.1564 302 ASP A N 1857 C CA . ASP A 274 ? 1.2074 1.0976 1.4003 -0.1519 -0.1146 -0.1570 302 ASP A CA 1858 C C . ASP A 274 ? 1.2769 1.0982 1.4246 -0.1686 -0.1472 -0.1244 302 ASP A C 1859 O O . ASP A 274 ? 1.3520 1.1426 1.5167 -0.1521 -0.1975 -0.1209 302 ASP A O 1860 C CB . ASP A 274 ? 1.3860 1.3018 1.5899 -0.1463 -0.1354 -0.1696 302 ASP A CB 1861 C CG . ASP A 274 ? 1.5097 1.4246 1.7628 -0.1164 -0.1904 -0.1840 302 ASP A CG 1862 O OD1 . ASP A 274 ? 1.5720 1.4670 1.8544 -0.0978 -0.2124 -0.1860 302 ASP A OD1 1863 O OD2 . ASP A 274 ? 1.5253 1.4620 1.7916 -0.1105 -0.2128 -0.1970 302 ASP A OD2 1864 N N . LEU A 275 ? 1.2622 1.0575 1.3530 -0.2020 -0.1201 -0.1023 303 LEU A N 1865 C CA . LEU A 275 ? 1.3615 1.0920 1.3881 -0.2314 -0.1468 -0.0685 303 LEU A CA 1866 C C . LEU A 275 ? 1.5936 1.2739 1.6303 -0.2243 -0.1799 -0.0561 303 LEU A C 1867 O O . LEU A 275 ? 1.7196 1.3444 1.7329 -0.2254 -0.2316 -0.0363 303 LEU A O 1868 C CB . LEU A 275 ? 1.2948 1.0221 1.2622 -0.2726 -0.1028 -0.0552 303 LEU A CB 1869 C CG . LEU A 275 ? 1.2011 0.9611 1.1389 -0.2901 -0.0740 -0.0612 303 LEU A CG 1870 C CD1 . LEU A 275 ? 1.1355 0.8972 1.0293 -0.3265 -0.0290 -0.0562 303 LEU A CD1 1871 C CD2 . LEU A 275 ? 1.1450 0.8805 1.0427 -0.2996 -0.1134 -0.0461 303 LEU A CD2 1872 N N . ASP A 276 ? 1.7112 1.4061 1.7803 -0.2172 -0.1530 -0.0676 304 ASP A N 1873 C CA . ASP A 276 ? 1.7927 1.4361 1.8583 -0.2231 -0.1729 -0.0530 304 ASP A CA 1874 C C . ASP A 276 ? 1.8064 1.4096 1.9006 -0.1954 -0.2367 -0.0511 304 ASP A C 1875 O O . ASP A 276 ? 1.8602 1.3915 1.9196 -0.2109 -0.2722 -0.0249 304 ASP A O 1876 C CB . ASP A 276 ? 1.8132 1.4936 1.9245 -0.2109 -0.1353 -0.0750 304 ASP A CB 1877 C CG . ASP A 276 ? 1.8982 1.5312 1.9987 -0.2277 -0.1423 -0.0610 304 ASP A CG 1878 O OD1 . ASP A 276 ? 2.0387 1.6042 2.0930 -0.2507 -0.1765 -0.0320 304 ASP A OD1 1879 O OD2 . ASP A 276 ? 1.8535 1.5147 1.9887 -0.2199 -0.1138 -0.0789 304 ASP A OD2 1880 N N . THR A 277 ? 1.7236 1.3713 1.8812 -0.1554 -0.2527 -0.0805 305 THR A N 1881 C CA . THR A 277 ? 1.6771 1.2966 1.8661 -0.1262 -0.3170 -0.0854 305 THR A CA 1882 C C . THR A 277 ? 1.5558 1.2417 1.7911 -0.0996 -0.3184 -0.1168 305 THR A C 1883 O O . THR A 277 ? 1.5427 1.2975 1.8131 -0.0913 -0.2728 -0.1433 305 THR A O 1884 C CB . THR A 277 ? 1.6642 1.2676 1.9094 -0.0991 -0.3402 -0.1000 305 THR A CB 1885 O OG1 . THR A 277 ? 1.7256 1.2964 2.0029 -0.0690 -0.4082 -0.1069 305 THR A OG1 1886 C CG2 . THR A 277 ? 1.5746 1.2565 1.8888 -0.0740 -0.2986 -0.1394 305 THR A CG2 1887 N N . SER A 278 ? 1.6148 1.2784 1.8482 -0.0878 -0.3715 -0.1145 306 SER A N 1888 C CA . SER A 278 ? 1.5927 1.3139 1.8466 -0.0780 -0.3682 -0.1368 306 SER A CA 1889 C C . SER A 278 ? 1.5810 1.3796 1.9304 -0.0392 -0.3622 -0.1873 306 SER A C 1890 O O . SER A 278 ? 1.6699 1.4639 2.0772 -0.0060 -0.4056 -0.2083 306 SER A O 1891 C CB . SER A 278 ? 1.6407 1.3163 1.8640 -0.0765 -0.4304 -0.1213 306 SER A CB 1892 O OG . SER A 278 ? 1.6163 1.2651 1.8907 -0.0392 -0.4965 -0.1357 306 SER A OG 1893 N N . GLY A 279 ? 1.4068 1.2753 1.7708 -0.0451 -0.3093 -0.2081 307 GLY A N 1894 C CA . GLY A 279 ? 1.2850 1.2317 1.7272 -0.0184 -0.2935 -0.2553 307 GLY A CA 1895 C C . GLY A 279 ? 1.1563 1.1307 1.6212 -0.0148 -0.2490 -0.2680 307 GLY A C 1896 O O . GLY A 279 ? 1.1020 1.1434 1.6043 -0.0082 -0.2144 -0.2998 307 GLY A O 1897 N N . GLY A 280 ? 1.1108 1.0351 1.5479 -0.0231 -0.2464 -0.2433 308 GLY A N 1898 C CA . GLY A 280 ? 1.0984 1.0517 1.5538 -0.0199 -0.2041 -0.2562 308 GLY A CA 1899 C C . GLY A 280 ? 1.1195 1.0735 1.5171 -0.0511 -0.1522 -0.2355 308 GLY A C 1900 O O . GLY A 280 ? 1.2806 1.1857 1.6208 -0.0767 -0.1502 -0.2025 308 GLY A O 1901 N N . TRP A 281 ? 0.9293 0.9382 1.3424 -0.0493 -0.1100 -0.2572 309 TRP A N 1902 C CA . TRP A 281 ? 0.7499 0.7631 1.1167 -0.0732 -0.0622 -0.2443 309 TRP A CA 1903 C C . TRP A 281 ? 0.8398 0.8398 1.1987 -0.0741 -0.0389 -0.2385 309 TRP A C 1904 O O . TRP A 281 ? 1.0086 1.0228 1.4079 -0.0531 -0.0437 -0.2565 309 TRP A O 1905 C CB . TRP A 281 ? 0.6013 0.6700 0.9832 -0.0724 -0.0321 -0.2685 309 TRP A CB 1906 C CG . TRP A 281 ? 0.8470 0.9307 1.2330 -0.0767 -0.0508 -0.2743 309 TRP A CG 1907 C CD1 . TRP A 281 ? 0.8385 0.9554 1.2779 -0.0570 -0.0812 -0.3017 309 TRP A CD1 1908 C CD2 . TRP A 281 ? 0.8987 0.9682 1.2369 -0.1014 -0.0423 -0.2561 309 TRP A CD2 1909 N NE1 . TRP A 281 ? 0.8062 0.9300 1.2338 -0.0677 -0.0931 -0.3009 309 TRP A NE1 1910 C CE2 . TRP A 281 ? 0.8093 0.9030 1.1729 -0.0956 -0.0693 -0.2719 309 TRP A CE2 1911 C CE3 . TRP A 281 ? 1.0359 1.0783 1.3159 -0.1273 -0.0149 -0.2319 309 TRP A CE3 1912 C CZ2 . TRP A 281 ? 0.8871 0.9764 1.2162 -0.1153 -0.0699 -0.2621 309 TRP A CZ2 1913 C CZ3 . TRP A 281 ? 1.0927 1.1315 1.3390 -0.1472 -0.0143 -0.2233 309 TRP A CZ3 1914 C CH2 . TRP A 281 ? 1.0461 1.1070 1.3150 -0.1415 -0.0416 -0.2371 309 TRP A CH2 1915 N N . GLN A 282 ? 0.7690 0.7451 1.0783 -0.0984 -0.0145 -0.2169 310 GLN A N 1916 C CA . GLN A 282 ? 0.7430 0.7077 1.0438 -0.1018 0.0069 -0.2127 310 GLN A CA 1917 C C . GLN A 282 ? 0.8240 0.7981 1.0883 -0.1193 0.0475 -0.2092 310 GLN A C 1918 O O . GLN A 282 ? 0.9920 0.9660 1.2267 -0.1361 0.0550 -0.2016 310 GLN A O 1919 C CB . GLN A 282 ? 0.8820 0.7968 1.1642 -0.1156 -0.0156 -0.1905 310 GLN A CB 1920 C CG . GLN A 282 ? 1.1103 1.0055 1.4302 -0.0956 -0.0603 -0.1945 310 GLN A CG 1921 C CD . GLN A 282 ? 1.3611 1.1955 1.6537 -0.1143 -0.0843 -0.1687 310 GLN A CD 1922 O OE1 . GLN A 282 ? 1.4472 1.2533 1.6856 -0.1470 -0.0735 -0.1449 310 GLN A OE1 1923 N NE2 . GLN A 282 ? 1.4741 1.2876 1.8031 -0.0960 -0.1163 -0.1749 310 GLN A NE2 1924 N N . TRP A 283 ? 0.6816 0.6642 0.9507 -0.1131 0.0711 -0.2175 311 TRP A N 1925 C CA . TRP A 283 ? 0.6285 0.6117 0.8660 -0.1274 0.1033 -0.2153 311 TRP A CA 1926 C C . TRP A 283 ? 0.7638 0.7200 0.9781 -0.1494 0.1045 -0.2009 311 TRP A C 1927 O O . TRP A 283 ? 0.8118 0.7506 1.0396 -0.1488 0.0877 -0.1963 311 TRP A O 1928 C CB . TRP A 283 ? 0.5425 0.5450 0.7932 -0.1095 0.1245 -0.2324 311 TRP A CB 1929 C CG . TRP A 283 ? 0.5995 0.6263 0.8568 -0.0980 0.1325 -0.2451 311 TRP A CG 1930 C CD1 . TRP A 283 ? 0.4662 0.5158 0.7542 -0.0782 0.1260 -0.2612 311 TRP A CD1 1931 C CD2 . TRP A 283 ? 0.5579 0.5899 0.7899 -0.1095 0.1490 -0.2444 311 TRP A CD2 1932 N NE1 . TRP A 283 ? 0.5297 0.5992 0.8095 -0.0799 0.1403 -0.2701 311 TRP A NE1 1933 C CE2 . TRP A 283 ? 0.4717 0.5283 0.7175 -0.0989 0.1538 -0.2591 311 TRP A CE2 1934 C CE3 . TRP A 283 ? 0.6125 0.6319 0.8115 -0.1298 0.1611 -0.2349 311 TRP A CE3 1935 C CZ2 . TRP A 283 ? 0.5184 0.5833 0.7445 -0.1099 0.1702 -0.2623 311 TRP A CZ2 1936 C CZ3 . TRP A 283 ? 0.5100 0.5371 0.6924 -0.1370 0.1756 -0.2391 311 TRP A CZ3 1937 C CH2 . TRP A 283 ? 0.6049 0.6526 0.8002 -0.1281 0.1799 -0.2515 311 TRP A CH2 1938 N N . SER A 284 ? 0.7253 0.6790 0.9043 -0.1716 0.1248 -0.1957 312 SER A N 1939 C CA . SER A 284 ? 0.7577 0.6937 0.9105 -0.1993 0.1322 -0.1861 312 SER A CA 1940 C C . SER A 284 ? 0.6558 0.5964 0.8321 -0.1925 0.1415 -0.1976 312 SER A C 1941 O O . SER A 284 ? 0.6103 0.5312 0.7878 -0.2049 0.1298 -0.1892 312 SER A O 1942 C CB . SER A 284 ? 0.7436 0.6883 0.8629 -0.2196 0.1574 -0.1886 312 SER A CB 1943 O OG . SER A 284 ? 0.8794 0.8193 0.9769 -0.2475 0.1728 -0.1880 312 SER A OG 1944 N N . ASP A 285 ? 0.5501 0.5139 0.7435 -0.1735 0.1608 -0.2171 313 ASP A N 1945 C CA . ASP A 285 ? 0.7300 0.7021 0.9546 -0.1574 0.1623 -0.2314 313 ASP A CA 1946 C C . ASP A 285 ? 0.8107 0.7807 1.0649 -0.1342 0.1382 -0.2312 313 ASP A C 1947 O O . ASP A 285 ? 0.9911 0.9621 1.2462 -0.1259 0.1254 -0.2263 313 ASP A O 1948 C CB . ASP A 285 ? 0.7634 0.7559 0.9945 -0.1405 0.1830 -0.2521 313 ASP A CB 1949 C CG . ASP A 285 ? 0.7838 0.7825 1.0137 -0.1175 0.1826 -0.2556 313 ASP A CG 1950 O OD1 . ASP A 285 ? 0.6305 0.6298 0.8697 -0.1081 0.1678 -0.2500 313 ASP A OD1 1951 O OD2 . ASP A 285 ? 0.9587 0.9613 1.1774 -0.1106 0.1973 -0.2657 313 ASP A OD2 1952 N N . ASN A 286 ? 0.5165 0.4877 0.7991 -0.1236 0.1316 -0.2403 314 ASN A N 1953 C CA . ASN A 286 ? 0.8394 0.8030 1.1482 -0.1079 0.1039 -0.2384 314 ASN A CA 1954 C C . ASN A 286 ? 0.7325 0.7233 1.0642 -0.0767 0.1031 -0.2553 314 ASN A C 1955 O O . ASN A 286 ? 0.8525 0.8485 1.2171 -0.0586 0.0849 -0.2650 314 ASN A O 1956 C CB . ASN A 286 ? 1.0264 0.9748 1.3585 -0.1104 0.0906 -0.2404 314 ASN A CB 1957 C CG . ASN A 286 ? 1.1427 1.0667 1.4922 -0.1043 0.0553 -0.2318 314 ASN A CG 1958 O OD1 . ASN A 286 ? 1.2266 1.1348 1.5589 -0.1110 0.0394 -0.2169 314 ASN A OD1 1959 N ND2 . ASN A 286 ? 1.1236 1.0449 1.5100 -0.0892 0.0402 -0.2438 314 ASN A ND2 1960 N N . SER A 287 ? 0.5806 0.5876 0.8943 -0.0721 0.1231 -0.2607 315 SER A N 1961 C CA . SER A 287 ? 0.6018 0.6315 0.9265 -0.0496 0.1265 -0.2759 315 SER A CA 1962 C C . SER A 287 ? 0.7478 0.7893 1.0990 -0.0397 0.1062 -0.2809 315 SER A C 1963 O O . SER A 287 ? 0.6963 0.7277 1.0460 -0.0505 0.0918 -0.2699 315 SER A O 1964 C CB . SER A 287 ? 0.5722 0.6053 0.8635 -0.0546 0.1473 -0.2743 315 SER A CB 1965 O OG . SER A 287 ? 0.6311 0.6558 0.9066 -0.0570 0.1620 -0.2764 315 SER A OG 1966 N N . PRO A 288 ? 0.7581 0.8226 1.1352 -0.0187 0.1027 -0.3003 316 PRO A N 1967 C CA . PRO A 288 ? 0.7422 0.8278 1.1512 -0.0079 0.0855 -0.3134 316 PRO A CA 1968 C C . PRO A 288 ? 0.6511 0.7529 1.0419 -0.0175 0.0973 -0.3131 316 PRO A C 1969 O O . PRO A 288 ? 0.5815 0.6823 0.9363 -0.0266 0.1215 -0.3082 316 PRO A O 1970 C CB . PRO A 288 ? 0.6210 0.7332 1.0533 0.0132 0.0878 -0.3378 316 PRO A CB 1971 C CG . PRO A 288 ? 0.6288 0.7364 1.0248 0.0115 0.1117 -0.3346 316 PRO A CG 1972 C CD . PRO A 288 ? 0.7392 0.8156 1.1137 -0.0041 0.1158 -0.3142 316 PRO A CD 1973 N N . LEU A 289 ? 0.4803 0.5967 0.8985 -0.0149 0.0782 -0.3207 317 LEU A N 1974 C CA . LEU A 289 ? 0.4643 0.6020 0.8705 -0.0257 0.0902 -0.3245 317 LEU A CA 1975 C C . LEU A 289 ? 0.6378 0.8193 1.0627 -0.0153 0.1031 -0.3531 317 LEU A C 1976 O O . LEU A 289 ? 0.4952 0.7118 0.9646 -0.0041 0.0886 -0.3780 317 LEU A O 1977 C CB . LEU A 289 ? 0.5941 0.7291 1.0206 -0.0283 0.0621 -0.3217 317 LEU A CB 1978 C CG . LEU A 289 ? 0.6181 0.7809 1.0442 -0.0388 0.0678 -0.3303 317 LEU A CG 1979 C CD1 . LEU A 289 ? 0.5573 0.7016 0.9300 -0.0615 0.0954 -0.3106 317 LEU A CD1 1980 C CD2 . LEU A 289 ? 0.5340 0.6961 0.9891 -0.0345 0.0304 -0.3324 317 LEU A CD2 1981 N N . LYS A 290 ? 0.6174 0.7966 1.0046 -0.0209 0.1305 -0.3506 318 LYS A N 1982 C CA . LYS A 290 ? 0.5945 0.8065 0.9818 -0.0161 0.1463 -0.3731 318 LYS A CA 1983 C C . LYS A 290 ? 0.5570 0.7865 0.9149 -0.0367 0.1710 -0.3774 318 LYS A C 1984 O O . LYS A 290 ? 0.5523 0.8166 0.9136 -0.0410 0.1766 -0.3927 318 LYS A O 1985 C CB . LYS A 290 ? 0.7060 0.8935 1.0606 -0.0097 0.1519 -0.3602 318 LYS A CB 1986 C CG . LYS A 290 ? 0.9086 1.1156 1.2445 -0.0080 0.1574 -0.3662 318 LYS A CG 1987 C CD . LYS A 290 ? 0.9778 1.1555 1.2820 0.0012 0.1570 -0.3521 318 LYS A CD 1988 C CE . LYS A 290 ? 0.8297 0.9722 1.0863 -0.0095 0.1741 -0.3360 318 LYS A CE 1989 N NZ . LYS A 290 ? 0.8915 1.0451 1.1157 -0.0273 0.1945 -0.3414 318 LYS A NZ 1990 N N . TYR A 291 ? 0.4946 0.6984 0.8208 -0.0542 0.1792 -0.3568 319 TYR A N 1991 C CA . TYR A 291 ? 0.6708 0.8791 0.9616 -0.0775 0.2036 -0.3562 319 TYR A CA 1992 C C . TYR A 291 ? 0.7774 0.9876 1.0790 -0.0903 0.1963 -0.3503 319 TYR A C 1993 O O . TYR A 291 ? 0.8657 1.0476 1.1667 -0.0875 0.1811 -0.3320 319 TYR A O 1994 C CB . TYR A 291 ? 0.6726 0.8352 0.9012 -0.0853 0.2217 -0.3357 319 TYR A CB 1995 C CG . TYR A 291 ? 0.7070 0.8611 0.8945 -0.1120 0.2442 -0.3311 319 TYR A CG 1996 C CD1 . TYR A 291 ? 0.6385 0.8135 0.8061 -0.1277 0.2635 -0.3448 319 TYR A CD1 1997 C CD2 . TYR A 291 ? 0.7064 0.8326 0.8748 -0.1249 0.2464 -0.3144 319 TYR A CD2 1998 C CE1 . TYR A 291 ? 0.7027 0.8655 0.8306 -0.1569 0.2843 -0.3397 319 TYR A CE1 1999 C CE2 . TYR A 291 ? 0.7287 0.8448 0.8624 -0.1503 0.2656 -0.3114 319 TYR A CE2 2000 C CZ . TYR A 291 ? 0.7847 0.9171 0.8980 -0.1669 0.2848 -0.3235 319 TYR A CZ 2001 O OH . TYR A 291 ? 0.8359 0.9529 0.9121 -0.1962 0.3043 -0.3194 319 TYR A OH 2002 N N . LEU A 292 ? 0.8293 1.0750 1.1400 -0.1062 0.2074 -0.3677 320 LEU A N 2003 C CA . LEU A 292 ? 0.7318 0.9871 1.0576 -0.1175 0.1983 -0.3676 320 LEU A CA 2004 C C . LEU A 292 ? 0.8486 1.1080 1.1403 -0.1467 0.2265 -0.3692 320 LEU A C 2005 O O . LEU A 292 ? 0.9169 1.2082 1.2070 -0.1594 0.2472 -0.3894 320 LEU A O 2006 C CB . LEU A 292 ? 0.6592 0.9645 1.0513 -0.1045 0.1741 -0.3962 320 LEU A CB 2007 C CG . LEU A 292 ? 0.7055 0.9988 1.1343 -0.0776 0.1380 -0.3932 320 LEU A CG 2008 C CD1 . LEU A 292 ? 0.8709 1.2115 1.3644 -0.0649 0.1120 -0.4248 320 LEU A CD1 2009 C CD2 . LEU A 292 ? 0.7212 0.9638 1.1217 -0.0815 0.1238 -0.3602 320 LEU A CD2 2010 N N . ASN A 293 ? 0.8494 1.0743 1.1101 -0.1597 0.2290 -0.3482 321 ASN A N 2011 C CA . ASN A 293 ? 0.9418 1.1636 1.1720 -0.1886 0.2518 -0.3481 321 ASN A CA 2012 C C . ASN A 293 ? 0.7785 1.0247 1.0354 -0.1983 0.2397 -0.3565 321 ASN A C 2013 O O . ASN A 293 ? 0.6224 0.8488 0.8487 -0.2192 0.2522 -0.3476 321 ASN A O 2014 C CB . ASN A 293 ? 1.0211 1.1829 1.1914 -0.1972 0.2663 -0.3222 321 ASN A CB 2015 C CG . ASN A 293 ? 1.0728 1.2240 1.2038 -0.2272 0.2934 -0.3240 321 ASN A CG 2016 O OD1 . ASN A 293 ? 0.9948 1.1827 1.1345 -0.2428 0.3082 -0.3439 321 ASN A OD1 2017 N ND2 . ASN A 293 ? 1.1169 1.2181 1.2048 -0.2372 0.3007 -0.3056 321 ASN A ND2 2018 N N . TRP A 294 ? 0.7971 1.0760 1.1070 -0.1809 0.2104 -0.3704 322 TRP A N 2019 C CA . TRP A 294 ? 0.7023 0.9992 1.0333 -0.1880 0.1933 -0.3769 322 TRP A CA 2020 C C . TRP A 294 ? 0.6902 1.0184 1.0181 -0.2169 0.2189 -0.3963 322 TRP A C 2021 O O . TRP A 294 ? 0.6590 1.0219 0.9968 -0.2278 0.2411 -0.4188 322 TRP A O 2022 C CB . TRP A 294 ? 0.5820 0.9170 0.9765 -0.1649 0.1562 -0.3981 322 TRP A CB 2023 C CG . TRP A 294 ? 0.6632 0.9643 1.0640 -0.1405 0.1226 -0.3791 322 TRP A CG 2024 C CD1 . TRP A 294 ? 0.6713 0.9792 1.1055 -0.1161 0.1054 -0.3879 322 TRP A CD1 2025 C CD2 . TRP A 294 ? 0.6854 0.9384 1.0542 -0.1421 0.1038 -0.3484 322 TRP A CD2 2026 N NE1 . TRP A 294 ? 0.7135 0.9772 1.1397 -0.1030 0.0753 -0.3634 322 TRP A NE1 2027 C CE2 . TRP A 294 ? 0.7101 0.9402 1.0935 -0.1203 0.0751 -0.3384 322 TRP A CE2 2028 C CE3 . TRP A 294 ? 0.7513 0.9795 1.0794 -0.1622 0.1091 -0.3302 322 TRP A CE3 2029 C CZ2 . TRP A 294 ? 0.7835 0.9653 1.1375 -0.1217 0.0534 -0.3090 322 TRP A CZ2 2030 C CZ3 . TRP A 294 ? 0.8043 0.9895 1.1047 -0.1619 0.0880 -0.3032 322 TRP A CZ3 2031 C CH2 . TRP A 294 ? 0.7922 0.9538 1.1034 -0.1435 0.0611 -0.2919 322 TRP A CH2 2032 N N . GLU A 295 ? 0.8412 1.1573 1.1528 -0.2326 0.2171 -0.3886 323 GLU A N 2033 C CA . GLU A 295 ? 0.8952 1.2429 1.2089 -0.2619 0.2397 -0.4095 323 GLU A CA 2034 C C . GLU A 295 ? 1.0404 1.4615 1.4244 -0.2559 0.2229 -0.4493 323 GLU A C 2035 O O . GLU A 295 ? 1.0834 1.5228 1.5116 -0.2268 0.1893 -0.4579 323 GLU A O 2036 C CB . GLU A 295 ? 0.7622 1.0788 1.0420 -0.2799 0.2416 -0.3937 323 GLU A CB 2037 N N . SER A 296 ? 1.1000 1.5635 1.4968 -0.2839 0.2451 -0.4763 324 SER A N 2038 C CA . SER A 296 ? 1.0540 1.5919 1.5184 -0.2766 0.2315 -0.5205 324 SER A CA 2039 C C . SER A 296 ? 1.0578 1.6123 1.5682 -0.2565 0.1851 -0.5271 324 SER A C 2040 O O . SER A 296 ? 1.0900 1.6157 1.5723 -0.2664 0.1775 -0.5093 324 SER A O 2041 C CB . SER A 296 ? 1.1229 1.6755 1.5621 -0.3039 0.2593 -0.5401 324 SER A CB 2042 O OG . SER A 296 ? 1.1812 1.7086 1.5710 -0.3208 0.2881 -0.5344 324 SER A OG 2043 N N . ASP A 297 ? 1.0429 1.6327 1.6142 -0.2245 0.1504 -0.5495 325 ASP A N 2044 C CA . ASP A 297 ? 1.1485 1.7410 1.7565 -0.1980 0.0962 -0.5532 325 ASP A CA 2045 C C . ASP A 297 ? 1.1239 1.6348 1.6744 -0.1877 0.0734 -0.5018 325 ASP A C 2046 O O . ASP A 297 ? 1.0969 1.5925 1.6451 -0.1812 0.0379 -0.4930 325 ASP A O 2047 C CB . ASP A 297 ? 1.2671 1.9034 1.9011 -0.2105 0.0904 -0.5803 325 ASP A CB 2048 C CG . ASP A 297 ? 1.3224 2.0233 2.0009 -0.2029 0.1044 -0.6256 325 ASP A CG 2049 O OD1 . ASP A 297 ? 1.2441 1.9644 1.9513 -0.1831 0.1033 -0.6435 325 ASP A OD1 2050 O OD2 . ASP A 297 ? 1.3783 2.1087 2.0600 -0.2182 0.1175 -0.6456 325 ASP A OD2 2051 N N . GLN A 298 ? 1.0434 1.5040 1.5468 -0.1873 0.0933 -0.4699 326 GLN A N 2052 C CA . GLN A 298 ? 0.9325 1.3272 1.3977 -0.1727 0.0691 -0.4296 326 GLN A CA 2053 C C . GLN A 298 ? 0.8716 1.2647 1.3662 -0.1449 0.0533 -0.4330 326 GLN A C 2054 O O . GLN A 298 ? 1.0376 1.4684 1.5594 -0.1432 0.0754 -0.4575 326 GLN A O 2055 C CB . GLN A 298 ? 0.8993 1.2392 1.2919 -0.1935 0.1028 -0.3939 326 GLN A CB 2056 C CG . GLN A 298 ? 1.0458 1.3830 1.4060 -0.2228 0.1245 -0.3918 326 GLN A CG 2057 C CD . GLN A 298 ? 1.1516 1.4715 1.4983 -0.2236 0.0921 -0.3794 326 GLN A CD 2058 O OE1 . GLN A 298 ? 1.1537 1.4367 1.4840 -0.2096 0.0632 -0.3561 326 GLN A OE1 2059 N NE2 . GLN A 298 ? 1.2259 1.5706 1.5751 -0.2429 0.0972 -0.3948 326 GLN A NE2 2060 N N . PRO A 299 ? 0.8416 1.1899 1.3282 -0.1256 0.0157 -0.4092 327 PRO A N 2061 C CA . PRO A 299 ? 0.8971 1.1980 1.3456 -0.1295 -0.0134 -0.3793 327 PRO A CA 2062 C C . PRO A 299 ? 1.1190 1.4434 1.6059 -0.1179 -0.0599 -0.3986 327 PRO A C 2063 O O . PRO A 299 ? 1.1409 1.5085 1.6944 -0.0951 -0.0842 -0.4332 327 PRO A O 2064 C CB . PRO A 299 ? 0.8264 1.0732 1.2561 -0.1144 -0.0337 -0.3509 327 PRO A CB 2065 C CG . PRO A 299 ? 0.8480 1.1230 1.3247 -0.0941 -0.0275 -0.3739 327 PRO A CG 2066 C CD . PRO A 299 ? 0.7711 1.1181 1.2942 -0.0973 -0.0065 -0.4165 327 PRO A CD 2067 N N . ASP A 300 ? 1.1267 1.4249 1.5729 -0.1327 -0.0733 -0.3793 328 ASP A N 2068 C CA . ASP A 300 ? 1.2073 1.5182 1.6794 -0.1213 -0.1238 -0.3930 328 ASP A CA 2069 C C . ASP A 300 ? 1.3089 1.5474 1.7193 -0.1243 -0.1596 -0.3504 328 ASP A C 2070 O O . ASP A 300 ? 1.4086 1.5961 1.7678 -0.1342 -0.1435 -0.3160 328 ASP A O 2071 C CB . ASP A 300 ? 1.1825 1.5477 1.6716 -0.1398 -0.1055 -0.4216 328 ASP A CB 2072 C CG . ASP A 300 ? 1.2976 1.6388 1.7203 -0.1744 -0.0624 -0.3979 328 ASP A CG 2073 O OD1 . ASP A 300 ? 1.4093 1.6921 1.7701 -0.1839 -0.0536 -0.3593 328 ASP A OD1 2074 O OD2 . ASP A 300 ? 1.2992 1.6832 1.7353 -0.1934 -0.0355 -0.4219 328 ASP A OD2 2075 N N . ASN A 301 ? 1.3816 1.5199 1.4849 0.0025 -0.0937 -0.5518 329 ASN A N 2076 C CA . ASN A 301 ? 1.3614 1.4298 1.4050 0.0020 -0.1259 -0.5371 329 ASN A CA 2077 C C . ASN A 301 ? 1.3688 1.3578 1.3428 -0.0024 -0.1383 -0.5142 329 ASN A C 2078 O O . ASN A 301 ? 1.4325 1.3788 1.3605 -0.0302 -0.1306 -0.4891 329 ASN A O 2079 C CB . ASN A 301 ? 1.3792 1.4492 1.4159 -0.0276 -0.1103 -0.5220 329 ASN A CB 2080 C CG . ASN A 301 ? 1.4616 1.6002 1.5575 -0.0253 -0.1032 -0.5436 329 ASN A CG 2081 O OD1 . ASN A 301 ? 1.4089 1.6007 1.5469 -0.0423 -0.0676 -0.5458 329 ASN A OD1 2082 N ND2 . ASN A 301 ? 1.5991 1.7346 1.6959 -0.0056 -0.1381 -0.5593 329 ASN A ND2 2083 N N . PRO A 302 ? 1.3042 1.2729 1.2687 0.0239 -0.1582 -0.5235 330 PRO A N 2084 C CA . PRO A 302 ? 1.4183 1.3130 1.3165 0.0163 -0.1668 -0.5016 330 PRO A CA 2085 C C . PRO A 302 ? 1.6359 1.4530 1.4600 0.0002 -0.1917 -0.4799 330 PRO A C 2086 O O . PRO A 302 ? 1.5967 1.3583 1.3642 -0.0198 -0.1901 -0.4580 330 PRO A O 2087 C CB . PRO A 302 ? 1.3885 1.2772 1.2937 0.0540 -0.1909 -0.5202 330 PRO A CB 2088 C CG . PRO A 302 ? 1.4004 1.3507 1.3670 0.0841 -0.2045 -0.5524 330 PRO A CG 2089 C CD . PRO A 302 ? 1.2944 1.3117 1.3106 0.0606 -0.1709 -0.5557 330 PRO A CD 2090 N N . SER A 303 ? 1.8695 1.6831 1.6917 0.0068 -0.2146 -0.4858 331 SER A N 2091 C CA . SER A 303 ? 2.0248 1.7655 1.7759 -0.0061 -0.2422 -0.4671 331 SER A CA 2092 C C . SER A 303 ? 2.0309 1.7517 1.7444 -0.0514 -0.2182 -0.4432 331 SER A C 2093 O O . SER A 303 ? 2.0740 1.7442 1.7317 -0.0736 -0.2165 -0.4229 331 SER A O 2094 C CB . SER A 303 ? 2.0936 1.8432 1.8602 0.0173 -0.2744 -0.4833 331 SER A CB 2095 O OG . SER A 303 ? 2.2212 1.8959 1.9163 0.0089 -0.3055 -0.4649 331 SER A OG 2096 N N . GLU A 304 ? 1.9939 1.7571 1.7388 -0.0661 -0.1991 -0.4462 332 GLU A N 2097 C CA . GLU A 304 ? 2.0118 1.7657 1.7306 -0.1057 -0.1722 -0.4263 332 GLU A CA 2098 C C . GLU A 304 ? 1.9143 1.7266 1.6851 -0.1171 -0.1282 -0.4225 332 GLU A C 2099 O O . GLU A 304 ? 1.9485 1.7602 1.7074 -0.1429 -0.1075 -0.4050 332 GLU A O 2100 C CB . GLU A 304 ? 2.0532 1.8011 1.7573 -0.1190 -0.1807 -0.4246 332 GLU A CB 2101 C CG . GLU A 304 ? 2.1257 1.8112 1.7668 -0.1206 -0.2164 -0.4176 332 GLU A CG 2102 C CD . GLU A 304 ? 2.1200 1.8019 1.7437 -0.1399 -0.2195 -0.4145 332 GLU A CD 2103 O OE1 . GLU A 304 ? 2.0579 1.7774 1.7133 -0.1496 -0.1986 -0.4185 332 GLU A OE1 2104 O OE2 . GLU A 304 ? 2.1783 1.8125 1.7530 -0.1423 -0.2453 -0.4032 332 GLU A OE2 2105 N N . GLU A 305 ? 1.6569 1.5231 1.4870 -0.0991 -0.1117 -0.4366 333 GLU A N 2106 C CA . GLU A 305 ? 1.2856 1.1982 1.1547 -0.1143 -0.0696 -0.4281 333 GLU A CA 2107 C C . GLU A 305 ? 1.2254 1.1156 1.0744 -0.1151 -0.0641 -0.4189 333 GLU A C 2108 O O . GLU A 305 ? 1.2606 1.1678 1.1333 -0.0952 -0.0654 -0.4322 333 GLU A O 2109 C CB . GLU A 305 ? 1.1542 1.1405 1.0963 -0.1035 -0.0495 -0.4468 333 GLU A CB 2110 C CG . GLU A 305 ? 1.2301 1.2452 1.1953 -0.1118 -0.0443 -0.4513 333 GLU A CG 2111 C CD . GLU A 305 ? 1.2419 1.3295 1.2758 -0.1064 -0.0235 -0.4702 333 GLU A CD 2112 O OE1 . GLU A 305 ? 1.3070 1.4251 1.3724 -0.0923 -0.0179 -0.4841 333 GLU A OE1 2113 O OE2 . GLU A 305 ? 1.1210 1.2342 1.1748 -0.1186 -0.0118 -0.4710 333 GLU A OE2 2114 N N . ASN A 306 ? 1.1515 1.0081 0.9591 -0.1385 -0.0567 -0.3963 334 ASN A N 2115 C CA . ASN A 306 ? 1.1021 0.9290 0.8803 -0.1429 -0.0561 -0.3852 334 ASN A CA 2116 C C . ASN A 306 ? 1.0387 0.9006 0.8425 -0.1605 -0.0191 -0.3702 334 ASN A C 2117 O O . ASN A 306 ? 1.0468 0.8885 0.8288 -0.1659 -0.0171 -0.3601 334 ASN A O 2118 C CB . ASN A 306 ? 1.2400 0.9971 0.9461 -0.1541 -0.0840 -0.3719 334 ASN A CB 2119 C CG . ASN A 306 ? 1.3553 1.0614 1.0225 -0.1353 -0.1266 -0.3869 334 ASN A CG 2120 O OD1 . ASN A 306 ? 1.4106 1.0991 1.0688 -0.1194 -0.1390 -0.3971 334 ASN A OD1 2121 N ND2 . ASN A 306 ? 1.3777 1.0688 1.0272 -0.1400 -0.1428 -0.3876 334 ASN A ND2 2122 N N . CYS A 307 ? 0.9068 0.8158 0.7517 -0.1702 0.0080 -0.3682 335 CYS A N 2123 C CA . CYS A 307 ? 0.9372 0.8702 0.7974 -0.1875 0.0387 -0.3535 335 CYS A CA 2124 C C . CYS A 307 ? 0.8589 0.8455 0.7760 -0.1835 0.0643 -0.3618 335 CYS A C 2125 O O . CYS A 307 ? 0.7839 0.7960 0.7295 -0.1774 0.0655 -0.3740 335 CYS A O 2126 C CB . CYS A 307 ? 1.1070 1.0348 0.9482 -0.2096 0.0474 -0.3385 335 CYS A CB 2127 S SG . CYS A 307 ? 1.1893 1.0586 0.9607 -0.2244 0.0253 -0.3228 335 CYS A SG 2128 N N . GLY A 308 ? 0.8367 0.8381 0.7671 -0.1891 0.0841 -0.3549 336 GLY A N 2129 C CA . GLY A 308 ? 0.7333 0.7767 0.7091 -0.1871 0.1060 -0.3620 336 GLY A CA 2130 C C . GLY A 308 ? 0.7176 0.7822 0.7112 -0.2021 0.1281 -0.3541 336 GLY A C 2131 O O . GLY A 308 ? 0.7034 0.7565 0.6784 -0.2146 0.1326 -0.3417 336 GLY A O 2132 N N . VAL A 309 ? 0.6593 0.7560 0.6891 -0.2013 0.1421 -0.3630 337 VAL A N 2133 C CA . VAL A 309 ? 0.7328 0.8454 0.7789 -0.2136 0.1620 -0.3577 337 VAL A CA 2134 C C . VAL A 309 ? 0.7030 0.8365 0.7744 -0.2157 0.1785 -0.3616 337 VAL A C 2135 O O . VAL A 309 ? 0.6481 0.7953 0.7332 -0.2083 0.1760 -0.3729 337 VAL A O 2136 C CB . VAL A 309 ? 0.6603 0.7837 0.7171 -0.2156 0.1610 -0.3642 337 VAL A CB 2137 C CG1 . VAL A 309 ? 0.8453 0.9447 0.8717 -0.2170 0.1453 -0.3592 337 VAL A CG1 2138 C CG2 . VAL A 309 ? 0.6097 0.7565 0.6919 -0.2068 0.1560 -0.3817 337 VAL A CG2 2139 N N . ILE A 310 ? 0.6315 0.7664 0.7074 -0.2263 0.1946 -0.3538 338 ILE A N 2140 C CA . ILE A 310 ? 0.6407 0.7878 0.7336 -0.2328 0.2099 -0.3564 338 ILE A CA 2141 C C . ILE A 310 ? 0.8087 0.9668 0.9164 -0.2404 0.2187 -0.3612 338 ILE A C 2142 O O . ILE A 310 ? 0.9793 1.1300 1.0811 -0.2423 0.2182 -0.3569 338 ILE A O 2143 C CB . ILE A 310 ? 0.7019 0.8338 0.7824 -0.2381 0.2179 -0.3450 338 ILE A CB 2144 C CG1 . ILE A 310 ? 0.7573 0.8935 0.8461 -0.2463 0.2314 -0.3474 338 ILE A CG1 2145 C CG2 . ILE A 310 ? 0.6383 0.7604 0.7111 -0.2424 0.2210 -0.3373 338 ILE A CG2 2146 C CD1 . ILE A 310 ? 0.7701 0.8886 0.8432 -0.2494 0.2356 -0.3378 338 ILE A CD1 2147 N N . ARG A 311 ? 0.7934 0.9704 0.9192 -0.2459 0.2266 -0.3717 339 ARG A N 2148 C CA . ARG A 311 ? 0.6931 0.8829 0.8323 -0.2548 0.2341 -0.3794 339 ARG A CA 2149 C C . ARG A 311 ? 0.7626 0.9477 0.9008 -0.2701 0.2515 -0.3783 339 ARG A C 2150 O O . ARG A 311 ? 0.8942 1.0906 1.0380 -0.2768 0.2580 -0.3843 339 ARG A O 2151 C CB . ARG A 311 ? 0.6445 0.8649 0.8051 -0.2510 0.2277 -0.3973 339 ARG A CB 2152 C CG . ARG A 311 ? 0.8289 1.0481 0.9860 -0.2370 0.2084 -0.4008 339 ARG A CG 2153 C CD . ARG A 311 ? 0.9726 1.2218 1.1513 -0.2278 0.1977 -0.4213 339 ARG A CD 2154 N NE . ARG A 311 ? 1.1561 1.4389 1.3610 -0.2376 0.2062 -0.4375 339 ARG A NE 2155 C CZ . ARG A 311 ? 1.2727 1.5636 1.4834 -0.2373 0.1992 -0.4446 339 ARG A CZ 2156 N NH1 . ARG A 311 ? 1.3727 1.6352 1.5611 -0.2325 0.1880 -0.4331 339 ARG A NH1 2157 N NH2 . ARG A 311 ? 1.2815 1.6068 1.5168 -0.2476 0.2080 -0.4611 339 ARG A NH2 2158 N N . THR A 312 ? 0.8113 0.9776 0.9393 -0.2762 0.2583 -0.3722 340 THR A N 2159 C CA . THR A 312 ? 0.9016 1.0572 1.0212 -0.2914 0.2734 -0.3734 340 THR A CA 2160 C C . THR A 312 ? 1.0151 1.1996 1.1496 -0.3031 0.2816 -0.3886 340 THR A C 2161 O O . THR A 312 ? 0.9304 1.1141 1.0561 -0.3177 0.2952 -0.3924 340 THR A O 2162 C CB . THR A 312 ? 0.9443 1.0736 1.0501 -0.2926 0.2755 -0.3678 340 THR A CB 2163 O OG1 . THR A 312 ? 0.9575 1.1006 1.0742 -0.2906 0.2713 -0.3740 340 THR A OG1 2164 C CG2 . THR A 312 ? 0.7480 0.8561 0.8434 -0.2819 0.2689 -0.3572 340 THR A CG2 2165 N N . GLU A 313 ? 1.1938 1.4037 1.3474 -0.2974 0.2737 -0.3986 341 GLU A N 2166 C CA . GLU A 313 ? 1.2433 1.4895 1.4165 -0.3067 0.2800 -0.4172 341 GLU A CA 2167 C C . GLU A 313 ? 1.1733 1.4398 1.3564 -0.3096 0.2811 -0.4256 341 GLU A C 2168 O O . GLU A 313 ? 1.0853 1.3543 1.2590 -0.3227 0.2907 -0.4313 341 GLU A O 2169 C CB . GLU A 313 ? 1.4612 1.7291 1.6529 -0.2947 0.2647 -0.4266 341 GLU A CB 2170 C CG . GLU A 313 ? 1.6791 1.9913 1.8966 -0.3006 0.2673 -0.4495 341 GLU A CG 2171 C CD . GLU A 313 ? 1.9070 2.2552 2.1514 -0.2911 0.2580 -0.4649 341 GLU A CD 2172 O OE1 . GLU A 313 ? 1.9137 2.2451 2.1508 -0.2743 0.2434 -0.4564 341 GLU A OE1 2173 O OE2 . GLU A 313 ? 2.0265 2.4162 2.2942 -0.2984 0.2635 -0.4859 341 GLU A OE2 2174 N N . SER A 314 ? 1.1995 1.4749 1.3945 -0.2967 0.2699 -0.4259 342 SER A N 2175 C CA . SER A 314 ? 1.0899 1.3831 1.2949 -0.2980 0.2697 -0.4345 342 SER A CA 2176 C C . SER A 314 ? 0.9577 1.2184 1.1335 -0.3109 0.2807 -0.4214 342 SER A C 2177 O O . SER A 314 ? 0.9943 1.2625 1.1705 -0.3153 0.2825 -0.4269 342 SER A O 2178 C CB . SER A 314 ? 1.0258 1.3144 1.2293 -0.2721 0.2512 -0.4315 342 SER A CB 2179 O OG . SER A 314 ? 1.0244 1.3365 1.2462 -0.2544 0.2350 -0.4459 342 SER A OG 2180 N N . SER A 315 ? 1.0333 1.2571 1.1822 -0.3154 0.2876 -0.4055 343 SER A N 2181 C CA . SER A 315 ? 1.0698 1.2574 1.1882 -0.3227 0.2955 -0.3918 343 SER A CA 2182 C C . SER A 315 ? 1.0649 1.2497 1.1863 -0.3130 0.2883 -0.3858 343 SER A C 2183 O O . SER A 315 ? 0.9845 1.1718 1.1019 -0.3177 0.2903 -0.3883 343 SER A O 2184 C CB . SER A 315 ? 1.2033 1.3871 1.3028 -0.3412 0.3077 -0.3969 343 SER A CB 2185 O OG . SER A 315 ? 1.2921 1.4371 1.3560 -0.3491 0.3164 -0.3846 343 SER A OG 2186 N N . GLY A 316 ? 0.9925 1.1659 1.1118 -0.2947 0.2757 -0.3764 344 GLY A N 2187 C CA . GLY A 316 ? 0.8496 1.0113 0.9595 -0.2801 0.2649 -0.3672 344 GLY A CA 2188 C C . GLY A 316 ? 0.7181 0.9018 0.8411 -0.2667 0.2538 -0.3761 344 GLY A C 2189 O O . GLY A 316 ? 0.6894 0.8603 0.7998 -0.2557 0.2453 -0.3688 344 GLY A O 2190 N N . GLY A 317 ? 0.6884 0.9044 0.8353 -0.2667 0.2527 -0.3931 345 GLY A N 2191 C CA . GLY A 317 ? 0.5897 0.8260 0.7493 -0.2490 0.2394 -0.4050 345 GLY A CA 2192 C C . GLY A 317 ? 0.6403 0.8622 0.7909 -0.2311 0.2213 -0.4003 345 GLY A C 2193 O O . GLY A 317 ? 0.8243 1.0299 0.9653 -0.2336 0.2201 -0.3903 345 GLY A O 2194 N N . TRP A 318 ? 0.7571 0.9795 0.9051 -0.2134 0.2063 -0.4070 346 TRP A N 2195 C CA . TRP A 318 ? 0.8317 1.0289 0.9593 -0.1994 0.1868 -0.4013 346 TRP A CA 2196 C C . TRP A 318 ? 0.8618 1.0767 1.0046 -0.1859 0.1708 -0.4196 346 TRP A C 2197 O O . TRP A 318 ? 0.8032 1.0514 0.9723 -0.1793 0.1705 -0.4395 346 TRP A O 2198 C CB . TRP A 318 ? 0.7530 0.9255 0.8564 -0.1887 0.1763 -0.3958 346 TRP A CB 2199 C CG . TRP A 318 ? 0.7599 0.9161 0.8479 -0.1998 0.1888 -0.3802 346 TRP A CG 2200 C CD1 . TRP A 318 ? 0.7257 0.8809 0.8153 -0.2161 0.2054 -0.3698 346 TRP A CD1 2201 C CD2 . TRP A 318 ? 0.6987 0.8350 0.7654 -0.1948 0.1842 -0.3747 346 TRP A CD2 2202 N NE1 . TRP A 318 ? 0.7114 0.8485 0.7829 -0.2210 0.2105 -0.3585 346 TRP A NE1 2203 C CE2 . TRP A 318 ? 0.6596 0.7862 0.7172 -0.2093 0.1987 -0.3608 346 TRP A CE2 2204 C CE3 . TRP A 318 ? 0.6462 0.7680 0.6977 -0.1789 0.1676 -0.3810 346 TRP A CE3 2205 C CZ2 . TRP A 318 ? 0.7081 0.8149 0.7438 -0.2099 0.1981 -0.3525 346 TRP A CZ2 2206 C CZ3 . TRP A 318 ? 0.7209 0.8203 0.7487 -0.1799 0.1675 -0.3721 346 TRP A CZ3 2207 C CH2 . TRP A 318 ? 0.7017 0.7959 0.7228 -0.1962 0.1832 -0.3577 346 TRP A CH2 2208 N N . GLN A 319 ? 0.8297 1.0235 0.9556 -0.1823 0.1568 -0.4141 347 GLN A N 2209 C CA . GLN A 319 ? 0.8703 1.0661 0.9980 -0.1663 0.1338 -0.4292 347 GLN A CA 2210 C C . GLN A 319 ? 0.8955 1.0434 0.9802 -0.1602 0.1125 -0.4171 347 GLN A C 2211 O O . GLN A 319 ? 0.9766 1.0993 1.0365 -0.1720 0.1192 -0.3977 347 GLN A O 2212 C CB . GLN A 319 ? 0.8439 1.0623 0.9918 -0.1727 0.1359 -0.4373 347 GLN A CB 2213 C CG . GLN A 319 ? 1.0339 1.2996 1.2215 -0.1823 0.1547 -0.4521 347 GLN A CG 2214 C CD . GLN A 319 ? 1.2536 1.5390 1.4577 -0.1873 0.1527 -0.4620 347 GLN A CD 2215 O OE1 . GLN A 319 ? 1.2319 1.4913 1.4148 -0.1879 0.1429 -0.4520 347 GLN A OE1 2216 N NE2 . GLN A 319 ? 1.3564 1.6888 1.5969 -0.1934 0.1628 -0.4821 347 GLN A NE2 2217 N N . ASN A 320 ? 0.8466 0.9818 0.9211 -0.1429 0.0856 -0.4298 348 ASN A N 2218 C CA . ASN A 320 ? 1.0004 1.0852 1.0278 -0.1423 0.0629 -0.4187 348 ASN A CA 2219 C C . ASN A 320 ? 1.0909 1.1761 1.1175 -0.1450 0.0524 -0.4225 348 ASN A C 2220 O O . ASN A 320 ? 1.1297 1.2517 1.1917 -0.1388 0.0527 -0.4398 348 ASN A O 2221 C CB . ASN A 320 ? 0.9982 1.0488 0.9976 -0.1225 0.0345 -0.4265 348 ASN A CB 2222 C CG . ASN A 320 ? 0.8992 0.9723 0.9244 -0.0981 0.0148 -0.4532 348 ASN A CG 2223 O OD1 . ASN A 320 ? 0.7663 0.8901 0.8370 -0.0978 0.0267 -0.4675 348 ASN A OD1 2224 N ND2 . ASN A 320 ? 0.8696 0.9049 0.8655 -0.0773 -0.0168 -0.4613 348 ASN A ND2 2225 N N . ARG A 321 ? 1.1504 1.1967 1.1359 -0.1569 0.0449 -0.4061 349 ARG A N 2226 C CA . ARG A 321 ? 0.9544 0.9959 0.9316 -0.1647 0.0386 -0.4049 349 ARG A CA 2227 C C . ARG A 321 ? 1.0448 1.0291 0.9626 -0.1691 0.0133 -0.3942 349 ARG A C 2228 O O . ARG A 321 ? 1.1341 1.0826 1.0175 -0.1675 0.0017 -0.3872 349 ARG A O 2229 C CB . ARG A 321 ? 0.7098 0.7753 0.7055 -0.1834 0.0686 -0.3939 349 ARG A CB 2230 C CG . ARG A 321 ? 0.9785 1.0929 1.0247 -0.1826 0.0875 -0.4064 349 ARG A CG 2231 C CD . ARG A 321 ? 1.2289 1.3554 1.2849 -0.2000 0.1139 -0.3949 349 ARG A CD 2232 N NE . ARG A 321 ? 1.2527 1.4171 1.3477 -0.2041 0.1308 -0.4053 349 ARG A NE 2233 C CZ . ARG A 321 ? 1.3181 1.4953 1.4239 -0.2087 0.1308 -0.4122 349 ARG A CZ 2234 N NH1 . ARG A 321 ? 1.3015 1.4568 1.3825 -0.2089 0.1148 -0.4095 349 ARG A NH1 2235 N NH2 . ARG A 321 ? 1.4128 1.6217 1.5499 -0.2157 0.1472 -0.4211 349 ARG A NH2 2236 N N . ASP A 322 ? 1.0830 1.0565 0.9854 -0.1765 0.0044 -0.3929 350 ASP A N 2237 C CA . ASP A 322 ? 1.2540 1.1719 1.0959 -0.1848 -0.0197 -0.3825 350 ASP A CA 2238 C C . ASP A 322 ? 1.2239 1.1344 1.0454 -0.2078 0.0017 -0.3612 350 ASP A C 2239 O O . ASP A 322 ? 1.1959 1.1372 1.0407 -0.2200 0.0274 -0.3565 350 ASP A O 2240 C CB . ASP A 322 ? 1.4294 1.3403 1.2625 -0.1852 -0.0366 -0.3895 350 ASP A CB 2241 C CG . ASP A 322 ? 1.5943 1.4441 1.3601 -0.1955 -0.0632 -0.3786 350 ASP A CG 2242 O OD1 . ASP A 322 ? 1.6805 1.4832 1.4067 -0.1844 -0.0966 -0.3827 350 ASP A OD1 2243 O OD2 . ASP A 322 ? 1.6312 1.4798 1.3829 -0.2150 -0.0502 -0.3663 350 ASP A OD2 2244 N N . CYS A 323 ? 1.2049 1.0760 0.9833 -0.2135 -0.0095 -0.3499 351 CYS A N 2245 C CA . CYS A 323 ? 1.1959 1.0704 0.9625 -0.2345 0.0129 -0.3321 351 CYS A CA 2246 C C . CYS A 323 ? 1.2926 1.1683 1.0427 -0.2551 0.0230 -0.3232 351 CYS A C 2247 O O . CYS A 323 ? 1.2520 1.1388 0.9965 -0.2735 0.0437 -0.3118 351 CYS A O 2248 C CB . CYS A 323 ? 1.1812 1.0124 0.9023 -0.2381 -0.0034 -0.3220 351 CYS A CB 2249 S SG . CYS A 323 ? 1.5245 1.3502 1.2592 -0.2142 -0.0145 -0.3331 351 CYS A SG 2250 N N . SER A 324 ? 0.8879 0.9765 0.9427 -0.1579 -0.0114 -0.1940 352 SER A N 2251 C CA . SER A 324 ? 0.9412 1.0329 1.0049 -0.1593 -0.0070 -0.1919 352 SER A CA 2252 C C . SER A 324 ? 0.8142 0.9133 0.8831 -0.1600 -0.0020 -0.1908 352 SER A C 2253 O O . SER A 324 ? 0.8537 0.9546 0.9305 -0.1612 0.0008 -0.1885 352 SER A O 2254 C CB . SER A 324 ? 0.9819 1.0748 1.0443 -0.1580 -0.0030 -0.1931 352 SER A CB 2255 O OG . SER A 324 ? 1.0997 1.1985 1.1569 -0.1561 0.0018 -0.1953 352 SER A OG 2256 N N . ILE A 325 ? 0.6833 0.7863 0.7480 -0.1592 -0.0009 -0.1921 353 ILE A N 2257 C CA . ILE A 325 ? 0.8017 0.9115 0.8717 -0.1600 0.0039 -0.1910 353 ILE A CA 2258 C C . ILE A 325 ? 0.7899 0.8974 0.8667 -0.1622 0.0003 -0.1881 353 ILE A C 2259 O O . ILE A 325 ? 0.8775 0.9788 0.9537 -0.1630 -0.0060 -0.1874 353 ILE A O 2260 C CB . ILE A 325 ? 0.8337 0.9487 0.8976 -0.1586 0.0064 -0.1932 353 ILE A CB 2261 C CG1 . ILE A 325 ? 0.9973 1.1092 1.0578 -0.1589 0.0006 -0.1933 353 ILE A CG1 2262 C CG2 . ILE A 325 ? 0.7243 0.8399 0.7799 -0.1561 0.0080 -0.1959 353 ILE A CG2 2263 C CD1 . ILE A 325 ? 0.9418 1.0595 0.9982 -0.1579 0.0034 -0.1948 353 ILE A CD1 2264 N N . ALA A 326 ? 0.7024 0.8149 0.7859 -0.1631 0.0046 -0.1862 354 ALA A N 2265 C CA . ALA A 326 ? 0.7262 0.8369 0.8173 -0.1652 0.0019 -0.1829 354 ALA A CA 2266 C C . ALA A 326 ? 0.7950 0.9088 0.8853 -0.1656 0.0015 -0.1831 354 ALA A C 2267 O O . ALA A 326 ? 1.0301 1.1502 1.1214 -0.1652 0.0069 -0.1834 354 ALA A O 2268 C CB . ALA A 326 ? 0.6627 0.7759 0.7621 -0.1658 0.0065 -0.1802 354 ALA A CB 2269 N N . LEU A 327 ? 0.7059 0.8153 0.7948 -0.1665 -0.0049 -0.1828 355 LEU A N 2270 C CA . LEU A 327 ? 0.6058 0.7176 0.6937 -0.1670 -0.0061 -0.1830 355 LEU A CA 2271 C C . LEU A 327 ? 0.6246 0.7335 0.7194 -0.1692 -0.0104 -0.1797 355 LEU A C 2272 O O . LEU A 327 ? 0.6567 0.7607 0.7557 -0.1702 -0.0136 -0.1776 355 LEU A O 2273 C CB . LEU A 327 ? 0.6265 0.7360 0.7046 -0.1657 -0.0100 -0.1860 355 LEU A CB 2274 C CG . LEU A 327 ? 0.5806 0.6935 0.6515 -0.1634 -0.0057 -0.1891 355 LEU A CG 2275 C CD1 . LEU A 327 ? 0.6876 0.7980 0.7486 -0.1617 -0.0097 -0.1917 355 LEU A CD1 2276 C CD2 . LEU A 327 ? 0.4957 0.6166 0.5688 -0.1631 0.0013 -0.1893 355 LEU A CD2 2277 N N . PRO A 328 ? 0.5439 0.6561 0.6404 -0.1700 -0.0103 -0.1791 356 PRO A N 2278 C CA . PRO A 328 ? 0.4742 0.5833 0.5753 -0.1720 -0.0157 -0.1766 356 PRO A CA 2279 C C . PRO A 328 ? 0.5559 0.6591 0.6508 -0.1719 -0.0228 -0.1783 356 PRO A C 2280 O O . PRO A 328 ? 0.5176 0.6192 0.6049 -0.1702 -0.0231 -0.1811 356 PRO A O 2281 C CB . PRO A 328 ? 0.3708 0.4856 0.4733 -0.1724 -0.0131 -0.1765 356 PRO A CB 2282 C CG . PRO A 328 ? 0.5389 0.6599 0.6410 -0.1711 -0.0054 -0.1776 356 PRO A CG 2283 C CD . PRO A 328 ? 0.4187 0.5381 0.5141 -0.1693 -0.0045 -0.1804 356 PRO A CD 2284 N N . TYR A 329 ? 0.5157 0.6157 0.6131 -0.1735 -0.0284 -0.1767 357 TYR A N 2285 C CA . TYR A 329 ? 0.5303 0.6240 0.6216 -0.1732 -0.0351 -0.1783 357 TYR A CA 2286 C C . TYR A 329 ? 0.6417 0.7331 0.7360 -0.1751 -0.0410 -0.1766 357 TYR A C 2287 O O . TYR A 329 ? 0.8385 0.9320 0.9408 -0.1768 -0.0402 -0.1736 357 TYR A O 2288 C CB . TYR A 329 ? 0.4868 0.5751 0.5785 -0.1730 -0.0366 -0.1779 357 TYR A CB 2289 C CG . TYR A 329 ? 0.6239 0.7098 0.7251 -0.1751 -0.0380 -0.1739 357 TYR A CG 2290 C CD1 . TYR A 329 ? 0.6084 0.6884 0.7111 -0.1765 -0.0447 -0.1726 357 TYR A CD1 2291 C CD2 . TYR A 329 ? 0.6299 0.7196 0.7386 -0.1755 -0.0326 -0.1713 357 TYR A CD2 2292 C CE1 . TYR A 329 ? 0.7980 0.8760 0.9093 -0.1784 -0.0460 -0.1687 357 TYR A CE1 2293 C CE2 . TYR A 329 ? 0.4974 0.5848 0.6145 -0.1772 -0.0339 -0.1674 357 TYR A CE2 2294 C CZ . TYR A 329 ? 0.7460 0.8277 0.8644 -0.1786 -0.0406 -0.1661 357 TYR A CZ 2295 O OH . TYR A 329 ? 0.6758 0.7553 0.8023 -0.1803 -0.0420 -0.1620 357 TYR A OH 2296 N N . VAL A 330 ? 0.6255 0.7125 0.7131 -0.1746 -0.0469 -0.1786 358 VAL A N 2297 C CA . VAL A 330 ? 0.5756 0.6609 0.6640 -0.1761 -0.0526 -0.1778 358 VAL A CA 2298 C C . VAL A 330 ? 0.6912 0.7688 0.7791 -0.1768 -0.0593 -0.1772 358 VAL A C 2299 O O . VAL A 330 ? 0.7417 0.8150 0.8233 -0.1754 -0.0609 -0.1793 358 VAL A O 2300 C CB . VAL A 330 ? 0.5073 0.5948 0.5874 -0.1747 -0.0539 -0.1808 358 VAL A CB 2301 C CG1 . VAL A 330 ? 0.4438 0.5298 0.5251 -0.1763 -0.0599 -0.1799 358 VAL A CG1 2302 C CG2 . VAL A 330 ? 0.4857 0.5808 0.5658 -0.1740 -0.0472 -0.1814 358 VAL A CG2 2303 N N . CYS A 331 ? 0.5795 0.6555 0.6741 -0.1791 -0.0630 -0.1744 359 CYS A N 2304 C CA . CYS A 331 ? 0.5996 0.6686 0.6944 -0.1802 -0.0696 -0.1737 359 CYS A CA 2305 C C . CYS A 331 ? 0.6644 0.7327 0.7576 -0.1812 -0.0752 -0.1739 359 CYS A C 2306 O O . CYS A 331 ? 0.7195 0.7929 0.8146 -0.1816 -0.0738 -0.1735 359 CYS A O 2307 C CB . CYS A 331 ? 0.6897 0.7570 0.7943 -0.1822 -0.0695 -0.1697 359 CYS A CB 2308 S SG . CYS A 331 ? 0.9055 0.9741 1.0139 -0.1814 -0.0627 -0.1685 359 CYS A SG 2309 N N . LYS A 332 ? 0.6440 0.7059 0.7337 -0.1815 -0.0816 -0.1746 360 LYS A N 2310 C CA . LYS A 332 ? 0.5046 0.5652 0.5923 -0.1823 -0.0876 -0.1750 360 LYS A CA 2311 C C . LYS A 332 ? 0.6980 0.7520 0.7880 -0.1840 -0.0935 -0.1735 360 LYS A C 2312 O O . LYS A 332 ? 0.6777 0.7271 0.7674 -0.1839 -0.0938 -0.1734 360 LYS A O 2313 C CB . LYS A 332 ? 0.7239 0.7837 0.8004 -0.1800 -0.0898 -0.1789 360 LYS A CB 2314 N N . LYS A 333 ? 0.5976 0.6514 0.6899 -0.1857 -0.0982 -0.1724 361 LYS A N 2315 C CA . LYS A 333 ? 0.8638 0.9110 0.9553 -0.1870 -0.1049 -0.1720 361 LYS A CA 2316 C C . LYS A 333 ? 0.9512 0.9991 1.0413 -0.1879 -0.1100 -0.1724 361 LYS A C 2317 O O . LYS A 333 ? 0.8895 0.9433 0.9816 -0.1881 -0.1083 -0.1721 361 LYS A O 2318 C CB . LYS A 333 ? 1.0012 1.0460 1.1017 -0.1892 -0.1048 -0.1682 361 LYS A CB 2319 C CG . LYS A 333 ? 1.0070 1.0566 1.1178 -0.1912 -0.1023 -0.1644 361 LYS A CG 2320 C CD . LYS A 333 ? 1.1484 1.1945 1.2661 -0.1930 -0.1024 -0.1609 361 LYS A CD 2321 C CE . LYS A 333 ? 1.2539 1.3032 1.3816 -0.1952 -0.1013 -0.1565 361 LYS A CE 2322 N NZ . LYS A 333 ? 1.3341 1.3899 1.4652 -0.1943 -0.0947 -0.1558 361 LYS A NZ 2323 N N . LYS A 334 ? 1.0477 1.0898 1.1335 -0.1883 -0.1164 -0.1734 362 LYS A N 2324 C CA . LYS A 334 ? 1.2666 1.3084 1.3516 -0.1896 -0.1222 -0.1734 362 LYS A CA 2325 C C . LYS A 334 ? 1.4359 1.4724 1.5252 -0.1922 -0.1270 -0.1711 362 LYS A C 2326 O O . LYS A 334 ? 1.4360 1.4664 1.5194 -0.1920 -0.1313 -0.1726 362 LYS A O 2327 C CB . LYS A 334 ? 1.3075 1.3473 1.3812 -0.1874 -0.1257 -0.1772 362 LYS A CB 2328 C CG . LYS A 334 ? 1.3510 1.3968 1.4204 -0.1853 -0.1227 -0.1792 362 LYS A CG 2329 C CD . LYS A 334 ? 1.4644 1.5073 1.5225 -0.1832 -0.1271 -0.1826 362 LYS A CD 2330 C CE . LYS A 334 ? 1.5949 1.6353 1.6534 -0.1851 -0.1341 -0.1820 362 LYS A CE 2331 N NZ . LYS A 334 ? 1.6294 1.6760 1.6941 -0.1867 -0.1343 -0.1803 362 LYS A NZ 2332 N N . PRO A 335 ? 1.5786 1.6172 1.6777 -0.1947 -0.1265 -0.1673 363 PRO A N 2333 C CA . PRO A 335 ? 1.6557 1.6899 1.7590 -0.1975 -0.1311 -0.1647 363 PRO A CA 2334 C C . PRO A 335 ? 1.5536 1.5858 1.6525 -0.1985 -0.1379 -0.1659 363 PRO A C 2335 O O . PRO A 335 ? 1.4462 1.4826 1.5427 -0.1976 -0.1387 -0.1675 363 PRO A O 2336 C CB . PRO A 335 ? 1.7018 1.7403 1.8161 -0.1996 -0.1282 -0.1604 363 PRO A CB 2337 C CG . PRO A 335 ? 1.6362 1.6798 1.7522 -0.1977 -0.1210 -0.1607 363 PRO A CG 2338 C CD . PRO A 335 ? 1.5850 1.6303 1.6918 -0.1951 -0.1209 -0.1650 363 PRO A CD 2339 N N . VAL A 352 ? 1.5997 1.5470 1.4710 -0.1891 -0.2054 -0.2273 380 VAL A N 2340 C CA . VAL A 352 ? 1.5948 1.5429 1.4567 -0.1870 -0.2068 -0.2290 380 VAL A CA 2341 C C . VAL A 352 ? 1.8322 1.7742 1.6857 -0.1836 -0.2041 -0.2291 380 VAL A C 2342 O O . VAL A 352 ? 1.8888 1.8304 1.7371 -0.1804 -0.2035 -0.2276 380 VAL A O 2343 C CB . VAL A 352 ? 1.4113 1.3649 1.2726 -0.1859 -0.2089 -0.2274 380 VAL A CB 2344 C CG1 . VAL A 352 ? 1.3058 1.2605 1.1574 -0.1838 -0.2104 -0.2290 380 VAL A CG1 2345 C CG2 . VAL A 352 ? 1.3763 1.3359 1.2466 -0.1892 -0.2113 -0.2270 380 VAL A CG2 2346 N N . GLU A 353 ? 1.9105 1.8479 1.7630 -0.1843 -0.2025 -0.2310 381 GLU A N 2347 C CA . GLU A 353 ? 2.0057 1.9372 1.8512 -0.1813 -0.1998 -0.2310 381 GLU A CA 2348 C C . GLU A 353 ? 2.1294 2.0608 1.9645 -0.1789 -0.2002 -0.2326 381 GLU A C 2349 O O . GLU A 353 ? 2.1511 2.0862 1.9844 -0.1799 -0.2027 -0.2343 381 GLU A O 2350 C CB . GLU A 353 ? 1.9336 1.8602 1.7812 -0.1826 -0.1978 -0.2325 381 GLU A CB 2351 C CG . GLU A 353 ? 1.8684 1.7937 1.7248 -0.1838 -0.1964 -0.2302 381 GLU A CG 2352 C CD . GLU A 353 ? 1.8016 1.7212 1.6590 -0.1844 -0.1941 -0.2312 381 GLU A CD 2353 O OE1 . GLU A 353 ? 1.7806 1.6975 1.6329 -0.1843 -0.1938 -0.2339 381 GLU A OE1 2354 O OE2 . GLU A 353 ? 1.7469 1.6648 1.6104 -0.1847 -0.1925 -0.2292 381 GLU A OE2 2355 N N . CYS A 354 ? 2.2042 2.1311 2.0326 -0.1755 -0.1978 -0.2319 382 CYS A N 2356 C CA . CYS A 354 ? 2.2822 2.2094 2.1022 -0.1720 -0.1976 -0.2312 382 CYS A CA 2357 C C . CYS A 354 ? 1.9946 1.9194 1.8053 -0.1707 -0.1970 -0.2336 382 CYS A C 2358 O O . CYS A 354 ? 2.0881 2.0108 1.8986 -0.1723 -0.1967 -0.2361 382 CYS A O 2359 C CB . CYS A 354 ? 2.6174 2.5416 2.4363 -0.1686 -0.1953 -0.2287 382 CYS A CB 2360 S SG . CYS A 354 ? 2.8437 2.7728 2.6678 -0.1677 -0.1967 -0.2258 382 CYS A SG 2361 N N . GLU A 355 ? 2.2444 1.9411 2.2893 -0.5718 -0.0418 -0.5686 383 GLU A N 2362 C CA . GLU A 355 ? 1.7890 1.4859 1.8291 -0.5684 -0.0438 -0.5772 383 GLU A CA 2363 C C . GLU A 355 ? 1.5858 1.2755 1.6245 -0.5629 -0.0468 -0.5817 383 GLU A C 2364 O O . GLU A 355 ? 1.6148 1.3016 1.6565 -0.5616 -0.0458 -0.5788 383 GLU A O 2365 C CB . GLU A 355 ? 1.5707 1.2799 1.6116 -0.5682 -0.0385 -0.5814 383 GLU A CB 2366 C CG . GLU A 355 ? 1.6785 1.3921 1.7153 -0.5651 -0.0389 -0.5909 383 GLU A CG 2367 C CD . GLU A 355 ? 1.7885 1.5149 1.8262 -0.5670 -0.0330 -0.5930 383 GLU A CD 2368 O OE1 . GLU A 355 ? 1.7250 1.4554 1.7655 -0.5711 -0.0295 -0.5865 383 GLU A OE1 2369 O OE2 . GLU A 355 ? 1.9434 1.6759 1.9788 -0.5644 -0.0320 -0.6011 383 GLU A OE2 2370 N N . PRO A 356 ? 1.5827 1.2685 1.6165 -0.5596 -0.0510 -0.5887 384 PRO A N 2371 C CA . PRO A 356 ? 1.6093 1.2882 1.6410 -0.5537 -0.0542 -0.5941 384 PRO A CA 2372 C C . PRO A 356 ? 1.6854 1.3725 1.7203 -0.5504 -0.0497 -0.5980 384 PRO A C 2373 O O . PRO A 356 ? 1.6596 1.3585 1.6963 -0.5516 -0.0449 -0.6002 384 PRO A O 2374 C CB . PRO A 356 ? 1.6025 1.2786 1.6285 -0.5511 -0.0589 -0.6015 384 PRO A CB 2375 C CG . PRO A 356 ? 1.6117 1.2870 1.6364 -0.5564 -0.0601 -0.5970 384 PRO A CG 2376 C CD . PRO A 356 ? 1.5777 1.2623 1.6071 -0.5613 -0.0541 -0.5909 384 PRO A CD 2377 N N . SER A 357 ? 1.7301 1.4107 1.7654 -0.5464 -0.0514 -0.5988 385 SER A N 2378 C CA . SER A 357 ? 1.8995 1.5855 1.9378 -0.5425 -0.0480 -0.6024 385 SER A CA 2379 C C . SER A 357 ? 1.7045 1.3952 1.7485 -0.5458 -0.0427 -0.5950 385 SER A C 2380 O O . SER A 357 ? 1.5281 1.2233 1.5751 -0.5431 -0.0395 -0.5969 385 SER A O 2381 C CB . SER A 357 ? 1.9682 1.6663 2.0066 -0.5399 -0.0451 -0.6112 385 SER A CB 2382 O OG . SER A 357 ? 2.0328 1.7411 2.0721 -0.5447 -0.0411 -0.6098 385 SER A OG 2383 N N . TRP A 358 ? 1.7867 1.4767 1.8324 -0.5513 -0.0416 -0.5869 386 TRP A N 2384 C CA . TRP A 358 ? 1.7856 1.4784 1.8366 -0.5542 -0.0374 -0.5793 386 TRP A CA 2385 C C . TRP A 358 ? 1.8707 1.5518 1.9215 -0.5556 -0.0409 -0.5728 386 TRP A C 2386 O O . TRP A 358 ? 1.8783 1.5514 1.9254 -0.5566 -0.0457 -0.5723 386 TRP A O 2387 C CB . TRP A 358 ? 1.7225 1.4243 1.7759 -0.5595 -0.0333 -0.5749 386 TRP A CB 2388 C CG . TRP A 358 ? 1.6288 1.3421 1.6818 -0.5595 -0.0297 -0.5803 386 TRP A CG 2389 C CD1 . TRP A 358 ? 1.5688 1.2847 1.6176 -0.5586 -0.0313 -0.5870 386 TRP A CD1 2390 C CD2 . TRP A 358 ? 1.5817 1.3055 1.6382 -0.5609 -0.0237 -0.5794 386 TRP A CD2 2391 N NE1 . TRP A 358 ? 1.5579 1.2855 1.6073 -0.5595 -0.0265 -0.5903 386 TRP A NE1 2392 C CE2 . TRP A 358 ? 1.5635 1.2960 1.6174 -0.5610 -0.0219 -0.5856 386 TRP A CE2 2393 C CE3 . TRP A 358 ? 1.4916 1.2182 1.5527 -0.5621 -0.0198 -0.5739 386 TRP A CE3 2394 C CZ2 . TRP A 358 ? 1.5663 1.3099 1.6220 -0.5626 -0.0163 -0.5865 386 TRP A CZ2 2395 C CZ3 . TRP A 358 ? 1.5015 1.2388 1.5646 -0.5634 -0.0145 -0.5748 386 TRP A CZ3 2396 C CH2 . TRP A 358 ? 1.5043 1.2499 1.5645 -0.5638 -0.0128 -0.5809 386 TRP A CH2 2397 N N . GLN A 359 ? 1.9042 1.5846 1.9588 -0.5559 -0.0384 -0.5680 387 GLN A N 2398 C CA . GLN A 359 ? 1.8844 1.5545 1.9388 -0.5574 -0.0412 -0.5620 387 GLN A CA 2399 C C . GLN A 359 ? 1.9354 1.6101 1.9953 -0.5623 -0.0374 -0.5535 387 GLN A C 2400 O O . GLN A 359 ? 1.8983 1.5825 1.9623 -0.5629 -0.0324 -0.5525 387 GLN A O 2401 C CB . GLN A 359 ? 1.8283 1.4916 1.8819 -0.5529 -0.0425 -0.5640 387 GLN A CB 2402 C CG . GLN A 359 ? 1.8323 1.4919 1.8811 -0.5471 -0.0461 -0.5732 387 GLN A CG 2403 C CD . GLN A 359 ? 1.9320 1.5829 1.9791 -0.5428 -0.0482 -0.5747 387 GLN A CD 2404 O OE1 . GLN A 359 ? 2.0323 1.6746 2.0791 -0.5444 -0.0497 -0.5690 387 GLN A OE1 2405 N NE2 . GLN A 359 ? 1.8914 1.5448 1.9376 -0.5372 -0.0484 -0.5826 387 GLN A NE2 2406 N N . PRO A 360 ? 1.9596 1.6281 2.0195 -0.5659 -0.0399 -0.5476 388 PRO A N 2407 C CA . PRO A 360 ? 1.9911 1.6644 2.0565 -0.5704 -0.0366 -0.5399 388 PRO A CA 2408 C C . PRO A 360 ? 2.0619 1.7337 2.1308 -0.5697 -0.0342 -0.5361 388 PRO A C 2409 O O . PRO A 360 ? 2.1191 1.7818 2.1854 -0.5675 -0.0368 -0.5368 388 PRO A O 2410 C CB . PRO A 360 ? 1.9000 1.5669 1.9638 -0.5742 -0.0407 -0.5360 388 PRO A CB 2411 C CG . PRO A 360 ? 1.9304 1.5901 1.9877 -0.5718 -0.0457 -0.5419 388 PRO A CG 2412 C CD . PRO A 360 ? 1.9356 1.5932 1.9905 -0.5664 -0.0458 -0.5480 388 PRO A CD 2413 N N . PHE A 361 ? 2.0242 1.7046 2.0986 -0.5716 -0.0294 -0.5322 389 PHE A N 2414 C CA . PHE A 361 ? 1.9792 1.6587 2.0578 -0.5727 -0.0272 -0.5265 389 PHE A CA 2415 C C . PHE A 361 ? 1.8937 1.5815 1.9778 -0.5768 -0.0240 -0.5208 389 PHE A C 2416 O O . PHE A 361 ? 1.9888 1.6853 2.0747 -0.5769 -0.0209 -0.5219 389 PHE A O 2417 C CB . PHE A 361 ? 2.0215 1.7024 2.1013 -0.5687 -0.0244 -0.5290 389 PHE A CB 2418 C CG . PHE A 361 ? 2.0833 1.7621 2.1667 -0.5695 -0.0226 -0.5235 389 PHE A CG 2419 C CD1 . PHE A 361 ? 2.1052 1.7734 2.1858 -0.5689 -0.0256 -0.5225 389 PHE A CD1 2420 C CD2 . PHE A 361 ? 2.1391 1.8263 2.2283 -0.5711 -0.0179 -0.5196 389 PHE A CD2 2421 C CE1 . PHE A 361 ? 2.1170 1.7834 2.2006 -0.5699 -0.0237 -0.5176 389 PHE A CE1 2422 C CE2 . PHE A 361 ? 2.1227 1.8083 2.2152 -0.5718 -0.0161 -0.5149 389 PHE A CE2 2423 C CZ . PHE A 361 ? 2.1029 1.7783 2.1926 -0.5712 -0.0189 -0.5139 389 PHE A CZ 2424 N N . GLN A 362 ? 1.7379 1.4228 1.8246 -0.5801 -0.0249 -0.5150 390 GLN A N 2425 C CA . GLN A 362 ? 1.5906 1.2824 1.6831 -0.5836 -0.0221 -0.5093 390 GLN A CA 2426 C C . GLN A 362 ? 1.5203 1.2203 1.6136 -0.5852 -0.0209 -0.5099 390 GLN A C 2427 O O . GLN A 362 ? 1.6054 1.3130 1.7017 -0.5852 -0.0172 -0.5091 390 GLN A O 2428 C CB . GLN A 362 ? 1.4579 1.1531 1.5548 -0.5824 -0.0181 -0.5068 390 GLN A CB 2429 N N . GLY A 363 ? 1.5151 1.2130 1.6051 -0.5868 -0.0243 -0.5114 391 GLY A N 2430 C CA . GLY A 363 ? 1.5441 1.2485 1.6339 -0.5887 -0.0237 -0.5119 391 GLY A CA 2431 C C . GLY A 363 ? 1.6072 1.3169 1.6945 -0.5864 -0.0214 -0.5170 391 GLY A C 2432 O O . GLY A 363 ? 1.4644 1.1799 1.5512 -0.5883 -0.0203 -0.5171 391 GLY A O 2433 N N . HIS A 364 ? 0.8204 1.4451 1.6879 -0.0681 0.1050 -0.6994 392 HIS A N 2434 C CA . HIS A 364 ? 0.9169 1.5308 1.7600 -0.0491 0.0876 -0.6766 392 HIS A CA 2435 C C . HIS A 364 ? 0.9851 1.5685 1.8434 -0.0626 0.1079 -0.6856 392 HIS A C 2436 O O . HIS A 364 ? 0.9959 1.5560 1.8795 -0.0855 0.1378 -0.7021 392 HIS A O 2437 C CB . HIS A 364 ? 0.8947 1.4808 1.7103 -0.0271 0.0781 -0.6348 392 HIS A CB 2438 C CG . HIS A 364 ? 0.8943 1.5124 1.6836 -0.0078 0.0502 -0.6212 392 HIS A CG 2439 N ND1 . HIS A 364 ? 0.8876 1.5322 1.6498 0.0086 0.0234 -0.6172 392 HIS A ND1 2440 C CD2 . HIS A 364 ? 0.8530 1.4791 1.6368 -0.0026 0.0469 -0.6114 392 HIS A CD2 2441 C CE1 . HIS A 364 ? 0.8451 1.5094 1.5842 0.0237 0.0060 -0.6041 392 HIS A CE1 2442 N NE2 . HIS A 364 ? 0.8396 1.4949 1.5924 0.0173 0.0190 -0.6007 392 HIS A NE2 2443 N N . CYS A 365 ? 1.0262 1.6063 1.8652 -0.0481 0.0923 -0.6730 393 CYS A N 2444 C CA . CYS A 365 ? 1.0791 1.6260 1.9242 -0.0569 0.1097 -0.6766 393 CYS A CA 2445 C C . CYS A 365 ? 1.0032 1.5043 1.8120 -0.0345 0.1036 -0.6381 393 CYS A C 2446 O O . CYS A 365 ? 0.9840 1.4996 1.7675 -0.0122 0.0774 -0.6158 393 CYS A O 2447 C CB . CYS A 365 ? 1.2610 1.8479 2.1154 -0.0623 0.0969 -0.7035 393 CYS A CB 2448 S SG . CYS A 365 ? 1.3591 1.9904 2.2415 -0.0855 0.1048 -0.7518 393 CYS A SG 2449 N N . TYR A 366 ? 0.8833 1.3251 1.6831 -0.0411 0.1271 -0.6291 394 TYR A N 2450 C CA . TYR A 366 ? 0.8773 1.2643 1.6379 -0.0220 0.1256 -0.5914 394 TYR A CA 2451 C C . TYR A 366 ? 0.9517 1.3034 1.6997 -0.0255 0.1348 -0.5897 394 TYR A C 2452 O O . TYR A 366 ? 1.1619 1.5054 1.9291 -0.0471 0.1553 -0.6109 394 TYR A O 2453 C CB . TYR A 366 ? 1.0085 1.3423 1.7588 -0.0242 0.1471 -0.5709 394 TYR A CB 2454 N N . ARG A 367 ? 0.8339 1.1631 1.5481 -0.0047 0.1208 -0.5627 395 ARG A N 2455 C CA . ARG A 367 ? 0.9048 1.1902 1.6021 -0.0071 0.1329 -0.5559 395 ARG A CA 2456 C C . ARG A 367 ? 0.7784 1.0236 1.4337 0.0160 0.1241 -0.5188 395 ARG A C 2457 O O . ARG A 367 ? 0.8635 1.1291 1.5038 0.0352 0.1011 -0.5023 395 ARG A O 2458 C CB . ARG A 367 ? 1.1888 1.5142 1.9012 -0.0127 0.1217 -0.5805 395 ARG A CB 2459 C CG . ARG A 367 ? 1.2268 1.5896 1.9239 0.0090 0.0884 -0.5722 395 ARG A CG 2460 C CD . ARG A 367 ? 1.1385 1.5300 1.8476 0.0025 0.0812 -0.5942 395 ARG A CD 2461 N NE . ARG A 367 ? 1.0304 1.3731 1.7205 0.0013 0.0946 -0.5839 395 ARG A NE 2462 C CZ . ARG A 367 ? 1.2450 1.6018 1.9464 -0.0081 0.0957 -0.6026 395 ARG A CZ 2463 N NH1 . ARG A 367 ? 1.2443 1.6631 1.9772 -0.0177 0.0844 -0.6327 395 ARG A NH1 2464 N NH2 . ARG A 367 ? 1.4639 1.7743 2.1451 -0.0077 0.1082 -0.5910 395 ARG A NH2 2465 N N . LEU A 368 ? 0.6959 0.8864 1.3310 0.0142 0.1419 -0.5058 396 LEU A N 2466 C CA . LEU A 368 ? 0.8521 1.0056 1.4470 0.0354 0.1346 -0.4723 396 LEU A CA 2467 C C . LEU A 368 ? 1.0161 1.1962 1.6030 0.0455 0.1133 -0.4764 396 LEU A C 2468 O O . LEU A 368 ? 1.2592 1.4528 1.8621 0.0334 0.1174 -0.4988 396 LEU A O 2469 C CB . LEU A 368 ? 0.9226 1.0067 1.4951 0.0318 0.1621 -0.4542 396 LEU A CB 2470 C CG . LEU A 368 ? 0.8989 0.9540 1.4310 0.0538 0.1522 -0.4249 396 LEU A CG 2471 C CD1 . LEU A 368 ? 0.8373 0.8800 1.3456 0.0718 0.1426 -0.3949 396 LEU A CD1 2472 C CD2 . LEU A 368 ? 1.0152 1.0165 1.5250 0.0523 0.1731 -0.4147 396 LEU A CD2 2473 N N . GLN A 369 ? 0.9089 1.0963 1.4704 0.0672 0.0910 -0.4541 397 GLN A N 2474 C CA . GLN A 369 ? 0.8184 1.0183 1.3614 0.0806 0.0715 -0.4482 397 GLN A CA 2475 C C . GLN A 369 ? 0.8191 0.9643 1.3235 0.0944 0.0786 -0.4168 397 GLN A C 2476 O O . GLN A 369 ? 0.9506 1.0829 1.4311 0.1096 0.0709 -0.3904 397 GLN A O 2477 C CB . GLN A 369 ? 0.9152 1.1681 1.4574 0.0937 0.0406 -0.4462 397 GLN A CB 2478 C CG . GLN A 369 ? 1.1391 1.4074 1.6560 0.1109 0.0161 -0.4328 397 GLN A CG 2479 C CD . GLN A 369 ? 1.2929 1.6133 1.8106 0.1195 -0.0112 -0.4323 397 GLN A CD 2480 O OE1 . GLN A 369 ? 1.2003 1.5551 1.7443 0.1104 -0.0126 -0.4509 397 GLN A OE1 2481 N NE2 . GLN A 369 ? 1.4692 1.7919 1.9539 0.1367 -0.0319 -0.4081 397 GLN A NE2 2482 N N . ALA A 370 ? 0.7670 0.8823 1.2643 0.0896 0.0929 -0.4196 398 ALA A N 2483 C CA . ALA A 370 ? 0.7586 0.8182 1.2205 0.1007 0.1053 -0.3920 398 ALA A CA 2484 C C . ALA A 370 ? 0.8788 0.9457 1.3111 0.1218 0.0830 -0.3729 398 ALA A C 2485 O O . ALA A 370 ? 1.0244 1.0515 1.4247 0.1346 0.0894 -0.3470 398 ALA A O 2486 C CB . ALA A 370 ? 0.8024 0.8265 1.2657 0.0880 0.1301 -0.4017 398 ALA A CB 2487 N N . GLU A 371 ? 0.8096 0.9275 1.2504 0.1259 0.0571 -0.3844 399 GLU A N 2488 C CA . GLU A 371 ? 0.8078 0.9347 1.2213 0.1432 0.0364 -0.3692 399 GLU A CA 2489 C C . GLU A 371 ? 0.8493 0.9765 1.2381 0.1591 0.0223 -0.3416 399 GLU A C 2490 O O . GLU A 371 ? 1.0307 1.1895 1.4300 0.1588 0.0094 -0.3440 399 GLU A O 2491 C CB . GLU A 371 ? 0.9568 1.1380 1.3870 0.1406 0.0141 -0.3911 399 GLU A CB 2492 C CG . GLU A 371 ? 1.1711 1.3702 1.6385 0.1199 0.0256 -0.4253 399 GLU A CG 2493 C CD . GLU A 371 ? 1.3514 1.5084 1.8186 0.1098 0.0512 -0.4311 399 GLU A CD 2494 O OE1 . GLU A 371 ? 1.4188 1.5532 1.8612 0.1200 0.0507 -0.4183 399 GLU A OE1 2495 O OE2 . GLU A 371 ? 1.4324 1.5793 1.9235 0.0914 0.0725 -0.4483 399 GLU A OE2 2496 N N . LYS A 372 ? 0.8254 0.9185 1.1803 0.1728 0.0249 -0.3151 400 LYS A N 2497 C CA . LYS A 372 ? 0.8142 0.9044 1.1430 0.1866 0.0135 -0.2875 400 LYS A CA 2498 C C . LYS A 372 ? 0.8540 0.9899 1.1722 0.1947 -0.0175 -0.2844 400 LYS A C 2499 O O . LYS A 372 ? 0.9139 1.0605 1.2178 0.2004 -0.0297 -0.2835 400 LYS A O 2500 C CB . LYS A 372 ? 0.9485 0.9938 1.2429 0.1988 0.0244 -0.2612 400 LYS A CB 2501 C CG . LYS A 372 ? 1.1575 1.1514 1.4537 0.1925 0.0562 -0.2589 400 LYS A CG 2502 C CD . LYS A 372 ? 1.3163 1.2711 1.5752 0.2074 0.0646 -0.2336 400 LYS A CD 2503 C CE . LYS A 372 ? 1.4098 1.3110 1.6631 0.2030 0.0960 -0.2282 400 LYS A CE 2504 N NZ . LYS A 372 ? 1.4003 1.2667 1.6156 0.2194 0.1036 -0.2056 400 LYS A NZ 2505 N N . ARG A 373 ? 0.8209 0.9806 1.1417 0.1952 -0.0297 -0.2800 401 ARG A N 2506 C CA . ARG A 373 ? 0.7364 0.9367 1.0446 0.2004 -0.0574 -0.2761 401 ARG A CA 2507 C C . ARG A 373 ? 0.7231 0.9232 1.0136 0.2054 -0.0644 -0.2545 401 ARG A C 2508 O O . ARG A 373 ? 0.8098 0.9903 1.1100 0.2029 -0.0496 -0.2506 401 ARG A O 2509 C CB . ARG A 373 ? 0.8253 1.0702 1.1645 0.1906 -0.0674 -0.3051 401 ARG A CB 2510 C CG . ARG A 373 ? 1.0014 1.2620 1.3505 0.1871 -0.0717 -0.3246 401 ARG A CG 2511 C CD . ARG A 373 ? 1.0194 1.3274 1.3963 0.1778 -0.0833 -0.3508 401 ARG A CD 2512 N NE . ARG A 373 ? 0.9289 1.2370 1.3443 0.1640 -0.0637 -0.3743 401 ARG A NE 2513 C CZ . ARG A 373 ? 0.9155 1.2273 1.3576 0.1519 -0.0519 -0.4004 401 ARG A CZ 2514 N NH1 . ARG A 373 ? 0.8506 1.1702 1.2871 0.1536 -0.0597 -0.4071 401 ARG A NH1 2515 N NH2 . ARG A 373 ? 0.9683 1.2775 1.4420 0.1368 -0.0326 -0.4205 401 ARG A NH2 2516 N N . SER A 374 ? 0.5328 0.7546 0.7966 0.2101 -0.0865 -0.2419 402 SER A N 2517 C CA . SER A 374 ? 0.4140 0.6360 0.6581 0.2123 -0.0931 -0.2226 402 SER A CA 2518 C C . SER A 374 ? 0.6438 0.8861 0.9191 0.2051 -0.0906 -0.2393 402 SER A C 2519 O O . SER A 374 ? 0.7082 0.9727 1.0166 0.1975 -0.0884 -0.2665 402 SER A O 2520 C CB . SER A 374 ? 0.3895 0.6265 0.5956 0.2136 -0.1138 -0.2095 402 SER A CB 2521 O OG . SER A 374 ? 0.5607 0.8303 0.7773 0.2077 -0.1256 -0.2293 402 SER A OG 2522 N N . TRP A 375 ? 0.5815 0.8158 0.8463 0.2067 -0.0895 -0.2234 403 TRP A N 2523 C CA . TRP A 375 ? 0.5220 0.7768 0.8136 0.2005 -0.0877 -0.2375 403 TRP A CA 2524 C C . TRP A 375 ? 0.6290 0.9239 0.9242 0.1960 -0.1048 -0.2545 403 TRP A C 2525 O O . TRP A 375 ? 0.6097 0.9293 0.9386 0.1884 -0.1019 -0.2788 403 TRP A O 2526 C CB . TRP A 375 ? 0.4849 0.7266 0.7568 0.2042 -0.0876 -0.2147 403 TRP A CB 2527 C CG . TRP A 375 ? 0.3408 0.6008 0.6393 0.1987 -0.0841 -0.2275 403 TRP A CG 2528 C CD1 . TRP A 375 ? 0.5194 0.7677 0.8495 0.1936 -0.0651 -0.2374 403 TRP A CD1 2529 C CD2 . TRP A 375 ? 0.4797 0.7700 0.7718 0.1970 -0.0985 -0.2315 403 TRP A CD2 2530 N NE1 . TRP A 375 ? 0.4955 0.7701 0.8428 0.1890 -0.0682 -0.2480 403 TRP A NE1 2531 C CE2 . TRP A 375 ? 0.3347 0.6351 0.6581 0.1919 -0.0890 -0.2440 403 TRP A CE2 2532 C CE3 . TRP A 375 ? 0.5284 0.8331 0.7877 0.1986 -0.1158 -0.2256 403 TRP A CE3 2533 C CZ2 . TRP A 375 ? 0.5790 0.9071 0.9023 0.1901 -0.0985 -0.2504 403 TRP A CZ2 2534 C CZ3 . TRP A 375 ? 0.3283 0.6544 0.5852 0.1969 -0.1224 -0.2315 403 TRP A CZ3 2535 C CH2 . TRP A 375 ? 0.5314 0.8707 0.8198 0.1935 -0.1151 -0.2434 403 TRP A CH2 2536 N N . GLN A 376 ? 0.6865 1.1416 0.7356 0.1171 -0.0143 -0.2847 404 GLN A N 2537 C CA . GLN A 376 ? 0.6838 1.1656 0.7476 0.1147 -0.0255 -0.2908 404 GLN A CA 2538 C C . GLN A 376 ? 0.7346 1.2195 0.7974 0.1223 -0.0277 -0.3053 404 GLN A C 2539 O O . GLN A 376 ? 0.7298 1.2228 0.8100 0.1185 -0.0321 -0.3206 404 GLN A O 2540 C CB . GLN A 376 ? 0.5169 1.0271 0.5724 0.1161 -0.0339 -0.2768 404 GLN A CB 2541 C CG . GLN A 376 ? 0.6775 1.1842 0.7366 0.1059 -0.0332 -0.2660 404 GLN A CG 2542 C CD . GLN A 376 ? 0.7652 1.2700 0.8140 0.1055 -0.0267 -0.2566 404 GLN A CD 2543 O OE1 . GLN A 376 ? 0.7466 1.2525 0.7831 0.1163 -0.0234 -0.2578 404 GLN A OE1 2544 N NE2 . GLN A 376 ? 0.7563 1.2595 0.8081 0.0957 -0.0262 -0.2489 404 GLN A NE2 2545 N N . GLU A 377 ? 0.5727 1.0533 0.6154 0.1350 -0.0255 -0.3037 405 GLU A N 2546 C CA . GLU A 377 ? 0.5473 1.0254 0.5865 0.1431 -0.0267 -0.3190 405 GLU A CA 2547 C C . GLU A 377 ? 0.7061 1.1444 0.7521 0.1333 -0.0144 -0.3355 405 GLU A C 2548 O O . GLU A 377 ? 0.9166 1.3594 0.9752 0.1300 -0.0161 -0.3548 405 GLU A O 2549 C CB . GLU A 377 ? 0.5107 0.9922 0.5241 0.1623 -0.0274 -0.3147 405 GLU A CB 2550 C CG . GLU A 377 ? 0.5259 1.0566 0.5359 0.1681 -0.0372 -0.3046 405 GLU A CG 2551 C CD . GLU A 377 ? 0.9617 1.5225 0.9808 0.1656 -0.0467 -0.3100 405 GLU A CD 2552 O OE1 . GLU A 377 ? 1.1204 1.6771 1.1423 0.1709 -0.0493 -0.3256 405 GLU A OE1 2553 O OE2 . GLU A 377 ? 1.1222 1.7076 1.1421 0.1586 -0.0508 -0.2992 405 GLU A OE2 2554 N N . SER A 378 ? 0.7005 1.1002 0.7375 0.1268 -0.0004 -0.3300 406 SER A N 2555 C CA . SER A 378 ? 0.7166 1.0756 0.7590 0.1110 0.0163 -0.3463 406 SER A CA 2556 C C . SER A 378 ? 0.7168 1.1056 0.7991 0.0933 0.0124 -0.3644 406 SER A C 2557 O O . SER A 378 ? 0.7511 1.1370 0.8487 0.0832 0.0175 -0.3890 406 SER A O 2558 C CB . SER A 378 ? 0.7813 1.0951 0.8037 0.1063 0.0331 -0.3347 406 SER A CB 2559 O OG . SER A 378 ? 0.9756 1.2595 0.9560 0.1282 0.0357 -0.3217 406 SER A OG 2560 N N . LYS A 379 ? 0.6208 1.0399 0.7196 0.0910 0.0028 -0.3551 407 LYS A N 2561 C CA . LYS A 379 ? 0.6743 1.1272 0.8070 0.0825 -0.0054 -0.3726 407 LYS A CA 2562 C C . LYS A 379 ? 0.7187 1.2039 0.8602 0.0918 -0.0197 -0.3890 407 LYS A C 2563 O O . LYS A 379 ? 0.6521 1.1543 0.8199 0.0835 -0.0200 -0.4169 407 LYS A O 2564 C CB . LYS A 379 ? 0.4666 0.9402 0.6040 0.0857 -0.0160 -0.3564 407 LYS A CB 2565 C CG . LYS A 379 ? 0.6482 1.1565 0.8136 0.0852 -0.0283 -0.3728 407 LYS A CG 2566 C CD . LYS A 379 ? 0.7548 1.2707 0.9148 0.0910 -0.0380 -0.3541 407 LYS A CD 2567 C CE . LYS A 379 ? 0.7605 1.3084 0.9354 0.1014 -0.0551 -0.3680 407 LYS A CE 2568 N NZ . LYS A 379 ? 0.7882 1.3548 0.9994 0.0923 -0.0509 -0.4002 407 LYS A NZ 2569 N N . LYS A 380 ? 0.6461 1.1441 0.7663 0.1085 -0.0309 -0.3748 408 LYS A N 2570 C CA . LYS A 380 ? 0.5305 1.0581 0.6542 0.1190 -0.0439 -0.3897 408 LYS A CA 2571 C C . LYS A 380 ? 0.6192 1.1305 0.7494 0.1129 -0.0345 -0.4157 408 LYS A C 2572 O O . LYS A 380 ? 0.6548 1.1929 0.8058 0.1120 -0.0419 -0.4419 408 LYS A O 2573 C CB . LYS A 380 ? 0.4833 1.0258 0.5805 0.1355 -0.0532 -0.3705 408 LYS A CB 2574 C CG . LYS A 380 ? 0.5561 1.1177 0.6442 0.1396 -0.0629 -0.3496 408 LYS A CG 2575 C CD . LYS A 380 ? 0.6609 1.2380 0.7232 0.1503 -0.0665 -0.3345 408 LYS A CD 2576 C CE . LYS A 380 ? 0.8184 1.4068 0.8658 0.1497 -0.0714 -0.3143 408 LYS A CE 2577 N NZ . LYS A 380 ? 0.9752 1.5831 0.9996 0.1555 -0.0709 -0.3038 408 LYS A NZ 2578 N N . ALA A 381 ? 0.5400 1.0055 0.6498 0.1098 -0.0183 -0.4107 409 ALA A N 2579 C CA . ALA A 381 ? 0.6558 1.0935 0.7663 0.1015 -0.0062 -0.4360 409 ALA A CA 2580 C C . ALA A 381 ? 0.7840 1.2197 0.9275 0.0755 0.0061 -0.4635 409 ALA A C 2581 O O . ALA A 381 ? 0.8082 1.2538 0.9704 0.0661 0.0081 -0.4950 409 ALA A O 2582 C CB . ALA A 381 ? 0.6145 0.9922 0.6865 0.1071 0.0096 -0.4236 409 ALA A CB 2583 N N . CYS A 382 ? 0.8474 1.2762 1.0011 0.0625 0.0147 -0.4555 410 CYS A N 2584 C CA . CYS A 382 ? 0.8610 1.3029 1.0519 0.0377 0.0253 -0.4855 410 CYS A CA 2585 C C . CYS A 382 ? 0.7066 1.2169 0.9335 0.0442 0.0036 -0.5105 410 CYS A C 2586 O O . CYS A 382 ? 0.8016 1.3317 1.0574 0.0294 0.0083 -0.5482 410 CYS A O 2587 C CB . CYS A 382 ? 0.9080 1.3397 1.1045 0.0263 0.0354 -0.4726 410 CYS A CB 2588 S SG . CYS A 382 ? 1.0427 1.3904 1.2008 0.0117 0.0681 -0.4567 410 CYS A SG 2589 N N . LEU A 383 ? 0.6211 1.1667 0.8434 0.0667 -0.0198 -0.4915 411 LEU A N 2590 C CA . LEU A 383 ? 0.6829 1.2876 0.9276 0.0804 -0.0425 -0.5124 411 LEU A CA 2591 C C . LEU A 383 ? 0.7323 1.3535 0.9805 0.0851 -0.0481 -0.5380 411 LEU A C 2592 O O . LEU A 383 ? 0.5965 1.2600 0.8791 0.0836 -0.0569 -0.5645 411 LEU A O 2593 C CB . LEU A 383 ? 0.4849 1.1071 0.7076 0.1055 -0.0635 -0.4828 411 LEU A CB 2594 C CG . LEU A 383 ? 0.5524 1.1665 0.7721 0.1051 -0.0635 -0.4607 411 LEU A CG 2595 C CD1 . LEU A 383 ? 0.4998 1.1233 0.6907 0.1278 -0.0819 -0.4340 411 LEU A CD1 2596 C CD2 . LEU A 383 ? 0.5487 1.1906 0.8061 0.0961 -0.0634 -0.4887 411 LEU A CD2 2597 N N . ARG A 384 ? 0.6648 1.2542 0.8819 0.0920 -0.0440 -0.5225 412 ARG A N 2598 C CA . ARG A 384 ? 0.6383 1.2418 0.8586 0.0975 -0.0503 -0.5429 412 ARG A CA 2599 C C . ARG A 384 ? 0.6053 1.2037 0.8603 0.0703 -0.0349 -0.5763 412 ARG A C 2600 O O . ARG A 384 ? 0.6026 1.2329 0.8794 0.0720 -0.0436 -0.5973 412 ARG A O 2601 C CB . ARG A 384 ? 0.6210 1.1890 0.8015 0.1096 -0.0460 -0.5264 412 ARG A CB 2602 C CG . ARG A 384 ? 0.6282 1.2137 0.7806 0.1344 -0.0620 -0.4935 412 ARG A CG 2603 C CD . ARG A 384 ? 0.7747 1.3448 0.8969 0.1490 -0.0617 -0.4859 412 ARG A CD 2604 N NE . ARG A 384 ? 0.9026 1.4153 1.0041 0.1431 -0.0426 -0.4756 412 ARG A NE 2605 C CZ . ARG A 384 ? 0.7601 1.2532 0.8393 0.1490 -0.0381 -0.4454 412 ARG A CZ 2606 N NH1 . ARG A 384 ? 0.7576 1.2823 0.8355 0.1557 -0.0490 -0.4231 412 ARG A NH1 2607 N NH2 . ARG A 384 ? 0.7359 1.1754 0.7912 0.1489 -0.0223 -0.4389 412 ARG A NH2 2608 N N . GLY A 385 ? 0.6543 1.2130 0.9135 0.0442 -0.0099 -0.5820 413 GLY A N 2609 C CA . GLY A 385 ? 0.6737 1.2307 0.9681 0.0123 0.0089 -0.6144 413 GLY A CA 2610 C C . GLY A 385 ? 0.7623 1.3861 1.1061 0.0082 -0.0015 -0.6319 413 GLY A C 2611 O O . GLY A 385 ? 0.8148 1.4860 1.1631 0.0350 -0.0274 -0.6221 413 GLY A O 2612 N N . GLY A 386 ? 0.8352 1.4601 1.2129 -0.0246 0.0208 -0.6576 414 GLY A N 2613 C CA . GLY A 386 ? 0.9602 1.6516 1.3857 -0.0260 0.0132 -0.6749 414 GLY A CA 2614 C C . GLY A 386 ? 0.8539 1.5335 1.2744 -0.0302 0.0196 -0.6596 414 GLY A C 2615 O O . GLY A 386 ? 0.7696 1.4918 1.2317 -0.0423 0.0250 -0.6799 414 GLY A O 2616 N N . GLY A 387 ? 0.7869 1.4172 1.1600 -0.0177 0.0188 -0.6259 415 GLY A N 2617 C CA . GLY A 387 ? 0.7593 1.3695 1.1270 -0.0273 0.0317 -0.6141 415 GLY A CA 2618 C C . GLY A 387 ? 0.6720 1.2651 1.0030 -0.0013 0.0179 -0.5752 415 GLY A C 2619 O O . GLY A 387 ? 0.7251 1.3347 1.0383 0.0273 -0.0066 -0.5570 415 GLY A O 2620 N N . ASP A 388 ? 0.6558 1.2225 0.9812 -0.0122 0.0326 -0.5580 416 ASP A N 2621 C CA . ASP A 388 ? 0.5969 1.1414 0.8907 0.0066 0.0234 -0.5144 416 ASP A CA 2622 C C . ASP A 388 ? 0.5652 1.0432 0.8306 -0.0106 0.0517 -0.4947 416 ASP A C 2623 O O . ASP A 388 ? 0.6243 1.0699 0.8907 -0.0357 0.0779 -0.5131 416 ASP A O 2624 C CB . ASP A 388 ? 0.6124 1.2020 0.9276 0.0186 0.0060 -0.5156 416 ASP A CB 2625 C CG . ASP A 388 ? 0.7543 1.3258 1.0368 0.0392 -0.0070 -0.4735 416 ASP A CG 2626 O OD1 . ASP A 388 ? 0.8208 1.3484 1.0695 0.0398 0.0013 -0.4446 416 ASP A OD1 2627 O OD2 . ASP A 388 ? 0.7215 1.3244 1.0101 0.0569 -0.0270 -0.4714 416 ASP A OD2 2628 N N . LEU A 389 ? 0.5795 1.0331 0.8153 0.0028 0.0480 -0.4581 417 LEU A N 2629 C CA . LEU A 389 ? 0.5667 0.9600 0.7727 -0.0092 0.0733 -0.4413 417 LEU A CA 2630 C C . LEU A 389 ? 0.6687 1.0630 0.8998 -0.0361 0.0949 -0.4615 417 LEU A C 2631 O O . LEU A 389 ? 0.7427 1.1912 1.0147 -0.0400 0.0856 -0.4833 417 LEU A O 2632 C CB . LEU A 389 ? 0.5390 0.9169 0.7125 0.0115 0.0631 -0.4032 417 LEU A CB 2633 C CG . LEU A 389 ? 0.6308 1.0015 0.7736 0.0346 0.0491 -0.3830 417 LEU A CG 2634 C CD1 . LEU A 389 ? 0.6120 0.9843 0.7333 0.0510 0.0384 -0.3527 417 LEU A CD1 2635 C CD2 . LEU A 389 ? 0.5955 0.9121 0.7050 0.0340 0.0663 -0.3828 417 LEU A CD2 2636 N N . VAL A 390 ? 0.6113 0.9447 0.8152 -0.0542 0.1252 -0.4570 418 VAL A N 2637 C CA . VAL A 390 ? 0.8264 1.1559 1.0524 -0.0871 0.1532 -0.4824 418 VAL A CA 2638 C C . VAL A 390 ? 0.8924 1.2457 1.1312 -0.0851 0.1500 -0.4730 418 VAL A C 2639 O O . VAL A 390 ? 0.8733 1.1909 1.0763 -0.0733 0.1519 -0.4413 418 VAL A O 2640 C CB . VAL A 390 ? 0.9377 1.1820 1.1198 -0.1079 0.1905 -0.4789 418 VAL A CB 2641 C CG1 . VAL A 390 ? 1.0006 1.1841 1.1219 -0.0851 0.1919 -0.4364 418 VAL A CG1 2642 C CG2 . VAL A 390 ? 0.7361 0.9746 0.9379 -0.1460 0.2239 -0.5040 418 VAL A CG2 2643 N N . SER A 391 ? 0.8407 1.2560 1.1303 -0.0956 0.1453 -0.5035 419 SER A N 2644 C CA . SER A 391 ? 0.6848 1.1229 0.9898 -0.0970 0.1463 -0.5020 419 SER A CA 2645 C C . SER A 391 ? 0.8757 1.2923 1.1880 -0.1349 0.1860 -0.5241 419 SER A C 2646 O O . SER A 391 ? 0.8736 1.3028 1.2119 -0.1618 0.2036 -0.5600 419 SER A O 2647 C CB . SER A 391 ? 0.6122 1.1307 0.9638 -0.0809 0.1166 -0.5232 419 SER A CB 2648 O OG . SER A 391 ? 0.5258 1.0932 0.9226 -0.0980 0.1210 -0.5693 419 SER A OG 2649 N N . ILE A 392 ? 0.7978 1.1814 1.0856 -0.1384 0.2015 -0.5039 420 ILE A N 2650 C CA . ILE A 392 ? 0.8221 1.1617 1.0955 -0.1732 0.2448 -0.5138 420 ILE A CA 2651 C C . ILE A 392 ? 0.9704 1.3582 1.2783 -0.1820 0.2492 -0.5294 420 ILE A C 2652 O O . ILE A 392 ? 1.0367 1.4245 1.3299 -0.1603 0.2350 -0.5039 420 ILE A O 2653 C CB . ILE A 392 ? 0.7978 1.0443 0.9978 -0.1661 0.2623 -0.4740 420 ILE A CB 2654 C CG1 . ILE A 392 ? 0.7505 0.9526 0.9159 -0.1529 0.2559 -0.4607 420 ILE A CG1 2655 C CG2 . ILE A 392 ? 0.7928 0.9845 0.9680 -0.2014 0.3096 -0.4818 420 ILE A CG2 2656 C CD1 . ILE A 392 ? 0.8035 0.9275 0.8965 -0.1312 0.2611 -0.4203 420 ILE A CD1 2657 N N . HIS A 393 ? 0.8680 1.3038 1.2251 -0.2126 0.2670 -0.5747 421 HIS A N 2658 C CA . HIS A 393 ? 0.6677 1.1595 1.0637 -0.2217 0.2722 -0.5973 421 HIS A CA 2659 C C . HIS A 393 ? 0.8129 1.2728 1.2004 -0.2652 0.3226 -0.6127 421 HIS A C 2660 O O . HIS A 393 ? 0.7167 1.2235 1.1364 -0.2746 0.3266 -0.6302 421 HIS A O 2661 C CB . HIS A 393 ? 0.6307 1.2220 1.0957 -0.2160 0.2456 -0.6395 421 HIS A CB 2662 C CG . HIS A 393 ? 0.6080 1.2267 1.0736 -0.1717 0.1998 -0.6249 421 HIS A CG 2663 N ND1 . HIS A 393 ? 0.7572 1.3660 1.2152 -0.1637 0.1866 -0.6230 421 HIS A ND1 2664 C CD2 . HIS A 393 ? 0.6133 1.2578 1.0783 -0.1342 0.1652 -0.6061 421 HIS A CD2 2665 C CE1 . HIS A 393 ? 0.7104 1.3415 1.1641 -0.1242 0.1467 -0.6045 421 HIS A CE1 2666 N NE2 . HIS A 393 ? 0.7169 1.3664 1.1731 -0.1065 0.1338 -0.5937 421 HIS A NE2 2667 N N . SER A 394 ? 1.0190 1.3956 1.3604 -0.2919 0.3590 -0.6040 422 SER A N 2668 C CA . SER A 394 ? 1.1393 1.4743 1.4640 -0.3370 0.4122 -0.6183 422 SER A CA 2669 C C . SER A 394 ? 1.2079 1.4236 1.4420 -0.3324 0.4357 -0.5714 422 SER A C 2670 O O . SER A 394 ? 1.3279 1.4918 1.5179 -0.3046 0.4178 -0.5394 422 SER A O 2671 C CB . SER A 394 ? 1.2593 1.6030 1.6146 -0.3851 0.4452 -0.6659 422 SER A CB 2672 O OG . SER A 394 ? 1.2816 1.7389 1.7229 -0.3905 0.4190 -0.7073 422 SER A OG 2673 N N . MET A 395 ? 1.1398 1.3118 1.3433 -0.3594 0.4774 -0.5696 423 MET A N 2674 C CA . MET A 395 ? 1.3349 1.3829 1.4439 -0.3587 0.5068 -0.5309 423 MET A CA 2675 C C . MET A 395 ? 1.4922 1.4693 1.5726 -0.3916 0.5412 -0.5448 423 MET A C 2676 O O . MET A 395 ? 1.6129 1.4947 1.6198 -0.3735 0.5451 -0.5122 423 MET A O 2677 C CB . MET A 395 ? 1.3796 1.3929 1.4541 -0.3762 0.5433 -0.5228 423 MET A CB 2678 C CG . MET A 395 ? 1.5452 1.4274 1.5111 -0.3652 0.5696 -0.4788 423 MET A CG 2679 S SD . MET A 395 ? 1.6433 1.5069 1.5626 -0.2943 0.5173 -0.4253 423 MET A SD 2680 C CE . MET A 395 ? 1.7997 1.5116 1.5898 -0.2848 0.5557 -0.3846 423 MET A CE 2681 N N . ALA A 396 ? 1.4925 1.5160 1.6298 -0.4393 0.5664 -0.5957 424 ALA A N 2682 C CA . ALA A 396 ? 1.4991 1.4609 1.6163 -0.4741 0.5983 -0.6148 424 ALA A CA 2683 C C . ALA A 396 ? 1.4741 1.4368 1.5913 -0.4388 0.5577 -0.6032 424 ALA A C 2684 O O . ALA A 396 ? 1.4808 1.3471 1.5363 -0.4393 0.5734 -0.5877 424 ALA A O 2685 C CB . ALA A 396 ? 1.5413 1.5782 1.7356 -0.5308 0.6265 -0.6793 424 ALA A CB 2686 N N . GLU A 397 ? 1.3323 1.4002 1.5141 -0.4065 0.5059 -0.6106 425 GLU A N 2687 C CA . GLU A 397 ? 1.3005 1.3752 1.4814 -0.3702 0.4656 -0.5973 425 GLU A CA 2688 C C . GLU A 397 ? 1.2747 1.2627 1.3734 -0.3278 0.4525 -0.5409 425 GLU A C 2689 O O . GLU A 397 ? 1.3820 1.3150 1.4426 -0.3144 0.4480 -0.5287 425 GLU A O 2690 C CB . GLU A 397 ? 1.1753 1.3732 1.4319 -0.3426 0.4156 -0.6126 425 GLU A CB 2691 C CG . GLU A 397 ? 1.1260 1.3494 1.3922 -0.3079 0.3733 -0.6052 425 GLU A CG 2692 C CD . GLU A 397 ? 1.0086 1.3437 1.3397 -0.2815 0.3287 -0.6195 425 GLU A CD 2693 O OE1 . GLU A 397 ? 0.9018 1.2824 1.2608 -0.2647 0.2992 -0.6329 425 GLU A OE1 2694 O OE2 . GLU A 397 ? 0.9603 1.3377 1.3146 -0.2799 0.3264 -0.6223 425 GLU A OE2 2695 N N . LEU A 398 ? 1.2416 1.2143 1.3093 -0.3069 0.4489 -0.5090 426 LEU A N 2696 C CA . LEU A 398 ? 1.2384 1.1368 1.2296 -0.2653 0.4360 -0.4604 426 LEU A CA 2697 C C . LEU A 398 ? 1.3219 1.0934 1.2286 -0.2794 0.4781 -0.4480 426 LEU A C 2698 O O . LEU A 398 ? 1.4494 1.1597 1.2986 -0.2466 0.4661 -0.4206 426 LEU A O 2699 C CB . LEU A 398 ? 1.2804 1.1922 1.2563 -0.2398 0.4230 -0.4322 426 LEU A CB 2700 C CG . LEU A 398 ? 1.3934 1.2392 1.2930 -0.1943 0.4075 -0.3865 426 LEU A CG 2701 C CD1 . LEU A 398 ? 1.3650 1.2763 1.2874 -0.1586 0.3668 -0.3678 426 LEU A CD1 2702 C CD2 . LEU A 398 ? 1.5231 1.2570 1.3326 -0.1987 0.4483 -0.3647 426 LEU A CD2 2703 N N . GLU A 399 ? 1.4136 1.1412 1.3077 -0.3273 0.5288 -0.4683 427 GLU A N 2704 C CA . GLU A 399 ? 1.5740 1.1644 1.3744 -0.3405 0.5729 -0.4534 427 GLU A CA 2705 C C . GLU A 399 ? 1.6049 1.1630 1.4044 -0.3533 0.5777 -0.4730 427 GLU A C 2706 O O . GLU A 399 ? 1.6422 1.0956 1.3602 -0.3327 0.5860 -0.4485 427 GLU A O 2707 C CB . GLU A 399 ? 1.4597 1.0062 1.2412 -0.3921 0.6306 -0.4691 427 GLU A CB 2708 N N . PHE A 400 ? 1.6025 1.2518 1.4907 -0.3826 0.5697 -0.5180 428 PHE A N 2709 C CA . PHE A 400 ? 1.7067 1.3363 1.5984 -0.3886 0.5669 -0.5369 428 PHE A CA 2710 C C . PHE A 400 ? 1.7706 1.4010 1.6395 -0.3288 0.5186 -0.5048 428 PHE A C 2711 O O . PHE A 400 ? 1.9695 1.5116 1.7751 -0.3143 0.5251 -0.4910 428 PHE A O 2712 C CB . PHE A 400 ? 1.6866 1.4282 1.6810 -0.4237 0.5601 -0.5931 428 PHE A CB 2713 C CG . PHE A 400 ? 1.7759 1.5152 1.7806 -0.4200 0.5456 -0.6075 428 PHE A CG 2714 C CD1 . PHE A 400 ? 1.8743 1.5360 1.8473 -0.4555 0.5842 -0.6165 428 PHE A CD1 2715 C CD2 . PHE A 400 ? 1.7613 1.5757 1.8037 -0.3780 0.4925 -0.6061 428 PHE A CD2 2716 C CE1 . PHE A 400 ? 1.9098 1.5719 1.8913 -0.4481 0.5682 -0.6259 428 PHE A CE1 2717 C CE2 . PHE A 400 ? 1.7409 1.5559 1.7909 -0.3713 0.4773 -0.6158 428 PHE A CE2 2718 C CZ . PHE A 400 ? 1.8556 1.5957 1.8765 -0.4056 0.5142 -0.6262 428 PHE A CZ 2719 N N . ILE A 401 ? 1.5504 1.2809 1.4706 -0.2945 0.4707 -0.4952 429 ILE A N 2720 C CA . ILE A 401 ? 1.4572 1.1973 1.3592 -0.2406 0.4265 -0.4658 429 ILE A CA 2721 C C . ILE A 401 ? 1.5873 1.2163 1.3878 -0.2074 0.4356 -0.4233 429 ILE A C 2722 O O . ILE A 401 ? 1.6229 1.1993 1.3791 -0.1832 0.4281 -0.4125 429 ILE A O 2723 C CB . ILE A 401 ? 1.2852 1.1360 1.2470 -0.2143 0.3823 -0.4590 429 ILE A CB 2724 C CG1 . ILE A 401 ? 1.2138 1.1668 1.2655 -0.2364 0.3679 -0.5025 429 ILE A CG1 2725 C CG2 . ILE A 401 ? 1.2437 1.0981 1.1779 -0.1614 0.3427 -0.4248 429 ILE A CG2 2726 C CD1 . ILE A 401 ? 1.2193 1.2738 1.3289 -0.2186 0.3327 -0.5028 429 ILE A CD1 2727 N N . THR A 402 ? 1.6208 1.2145 1.3812 -0.2026 0.4509 -0.4000 430 THR A N 2728 C CA . THR A 402 ? 1.7546 1.2535 1.4176 -0.1624 0.4537 -0.3597 430 THR A CA 2729 C C . THR A 402 ? 1.8586 1.2241 1.4372 -0.1729 0.4932 -0.3580 430 THR A C 2730 O O . THR A 402 ? 1.8806 1.1901 1.4007 -0.1329 0.4795 -0.3387 430 THR A O 2731 C CB . THR A 402 ? 1.7201 1.2110 1.3571 -0.1562 0.4632 -0.3384 430 THR A CB 2732 O OG1 . THR A 402 ? 1.7544 1.1678 1.2998 -0.1085 0.4581 -0.3008 430 THR A OG1 2733 C CG2 . THR A 402 ? 1.8394 1.2814 1.4632 -0.2075 0.5160 -0.3543 430 THR A CG2 2734 N N . LYS A 403 ? 1.9199 1.2325 1.4903 -0.2271 0.5434 -0.3802 431 LYS A N 2735 C CA . LYS A 403 ? 2.0183 1.1840 1.4937 -0.2405 0.5887 -0.3755 431 LYS A CA 2736 C C . LYS A 403 ? 2.0474 1.1948 1.5368 -0.2565 0.5913 -0.4024 431 LYS A C 2737 O O . LYS A 403 ? 2.1403 1.1761 1.5446 -0.2351 0.6027 -0.3874 431 LYS A O 2738 C CB . LYS A 403 ? 2.1018 1.2098 1.5548 -0.2961 0.6472 -0.3877 431 LYS A CB 2739 N N . GLN A 404 ? 2.0337 1.2844 1.6248 -0.2931 0.5826 -0.4441 432 GLN A N 2740 C CA . GLN A 404 ? 2.0394 1.2774 1.6469 -0.3109 0.5862 -0.4742 432 GLN A CA 2741 C C . GLN A 404 ? 2.0279 1.3206 1.6536 -0.2574 0.5313 -0.4630 432 GLN A C 2742 O O . GLN A 404 ? 2.1279 1.3569 1.7123 -0.2447 0.5324 -0.4649 432 GLN A O 2743 C CB . GLN A 404 ? 1.9291 1.2623 1.6384 -0.3707 0.5983 -0.5250 432 GLN A CB 2744 N N . ILE A 405 ? 1.8274 1.2354 1.5126 -0.2271 0.4851 -0.4524 433 ILE A N 2745 C CA . ILE A 405 ? 1.6328 1.1110 1.3496 -0.1855 0.4352 -0.4480 433 ILE A CA 2746 C C . ILE A 405 ? 1.6226 1.0709 1.2768 -0.1243 0.4087 -0.4036 433 ILE A C 2747 O O . ILE A 405 ? 1.7042 1.1058 1.3117 -0.0915 0.3975 -0.3936 433 ILE A O 2748 C CB . ILE A 405 ? 1.4165 1.0409 1.2389 -0.1929 0.4014 -0.4697 433 ILE A CB 2749 C CG1 . ILE A 405 ? 1.3342 0.9946 1.2184 -0.2511 0.4278 -0.5186 433 ILE A CG1 2750 C CG2 . ILE A 405 ? 1.2123 0.8986 1.0608 -0.1561 0.3567 -0.4677 433 ILE A CG2 2751 C CD1 . ILE A 405 ? 1.3461 0.9581 1.2189 -0.2717 0.4454 -0.5466 433 ILE A CD1 2752 N N . LYS A 406 ? 1.5769 1.0575 1.2318 -0.1073 0.3972 -0.3798 434 LYS A N 2753 C CA . LYS A 406 ? 1.6191 1.0813 1.2187 -0.0500 0.3718 -0.3426 434 LYS A CA 2754 C C . LYS A 406 ? 1.8930 1.2170 1.3827 -0.0277 0.3967 -0.3243 434 LYS A C 2755 O O . LYS A 406 ? 1.9964 1.2989 1.4473 0.0158 0.3755 -0.3128 434 LYS A O 2756 C CB . LYS A 406 ? 1.4465 0.9498 1.0560 -0.0417 0.3639 -0.3234 434 LYS A CB 2757 N N . GLN A 407 ? 2.0539 1.2805 1.4886 -0.0561 0.4430 -0.3223 435 GLN A N 2758 C CA . GLN A 407 ? 2.1394 1.2148 1.4572 -0.0386 0.4739 -0.3051 435 GLN A CA 2759 C C . GLN A 407 ? 2.2246 1.2813 1.4761 0.0323 0.4442 -0.2696 435 GLN A C 2760 O O . GLN A 407 ? 2.2229 1.3282 1.4837 0.0490 0.4297 -0.2523 435 GLN A O 2761 C CB . GLN A 407 ? 2.1102 1.1314 1.4176 -0.0558 0.4881 -0.3287 435 GLN A CB 2762 C CG . GLN A 407 ? 2.2016 1.1987 1.5416 -0.1288 0.5332 -0.3640 435 GLN A CG 2763 C CD . GLN A 407 ? 2.3527 1.3017 1.6855 -0.1447 0.5444 -0.3905 435 GLN A CD 2764 O OE1 . GLN A 407 ? 2.3081 1.3299 1.6882 -0.1228 0.5066 -0.4013 435 GLN A OE1 2765 N NE2 . GLN A 407 ? 2.4893 1.3259 1.7667 -0.1818 0.5917 -0.3932 435 GLN A NE2 2766 N N . GLU A 408 ? 2.2792 1.2758 1.4677 0.0765 0.4325 -0.2610 436 GLU A N 2767 C CA . GLU A 408 ? 2.3198 1.2900 1.4347 0.1466 0.4082 -0.2311 436 GLU A CA 2768 C C . GLU A 408 ? 2.1555 1.2650 1.3381 0.1828 0.3542 -0.2278 436 GLU A C 2769 O O . GLU A 408 ? 2.1865 1.2960 1.3206 0.2380 0.3324 -0.2072 436 GLU A O 2770 C CB . GLU A 408 ? 2.4802 1.3324 1.4995 0.1825 0.4168 -0.2265 436 GLU A CB 2771 C CG . GLU A 408 ? 2.4679 1.3889 1.5328 0.2054 0.3803 -0.2419 436 GLU A CG 2772 C CD . GLU A 408 ? 2.3656 1.3283 1.5133 0.1459 0.3910 -0.2754 436 GLU A CD 2773 O OE1 . GLU A 408 ? 2.0599 1.1035 1.2642 0.1566 0.3595 -0.2905 436 GLU A OE1 2774 O OE2 . GLU A 408 ? 2.5192 1.4397 1.6768 0.0881 0.4310 -0.2887 436 GLU A OE2 2775 N N . VAL A 409 ? 1.9669 1.1925 1.2551 0.1549 0.3326 -0.2487 437 VAL A N 2776 C CA . VAL A 409 ? 1.7905 1.1383 1.1361 0.1858 0.2856 -0.2454 437 VAL A CA 2777 C C . VAL A 409 ? 1.7846 1.1838 1.1485 0.1879 0.2778 -0.2308 437 VAL A C 2778 O O . VAL A 409 ? 1.5637 0.9633 0.9544 0.1460 0.3003 -0.2350 437 VAL A O 2779 C CB . VAL A 409 ? 1.6902 1.1370 1.1327 0.1573 0.2667 -0.2699 437 VAL A CB 2780 C CG1 . VAL A 409 ? 1.7276 1.2253 1.2429 0.1028 0.2799 -0.2848 437 VAL A CG1 2781 C CG2 . VAL A 409 ? 1.5837 1.1361 1.0666 0.1924 0.2225 -0.2650 437 VAL A CG2 2782 N N . GLU A 410 ? 1.8296 1.2659 1.1724 0.2378 0.2486 -0.2152 438 GLU A N 2783 C CA . GLU A 410 ? 1.8723 1.3380 1.2155 0.2434 0.2450 -0.2013 438 GLU A CA 2784 C C . GLU A 410 ? 1.7771 1.3554 1.2227 0.2065 0.2306 -0.2121 438 GLU A C 2785 O O . GLU A 410 ? 1.8858 1.4629 1.3508 0.1734 0.2493 -0.2128 438 GLU A O 2786 C CB . GLU A 410 ? 1.9405 1.4273 1.2396 0.3058 0.2161 -0.1872 438 GLU A CB 2787 C CG . GLU A 410 ? 2.3036 1.6754 1.4871 0.3546 0.2277 -0.1736 438 GLU A CG 2788 C CD . GLU A 410 ? 2.4960 1.9091 1.6446 0.4202 0.1944 -0.1655 438 GLU A CD 2789 O OE1 . GLU A 410 ? 2.4930 2.0058 1.6954 0.4210 0.1718 -0.1667 438 GLU A OE1 2790 O OE2 . GLU A 410 ? 2.6188 1.9657 1.6857 0.4714 0.1909 -0.1604 438 GLU A OE2 2791 N N . GLU A 411 ? 1.6719 1.3434 1.1810 0.2104 0.1994 -0.2220 439 GLU A N 2792 C CA . GLU A 411 ? 1.4964 1.2684 1.0917 0.1830 0.1831 -0.2298 439 GLU A CA 2793 C C . GLU A 411 ? 1.3198 1.1555 0.9785 0.1676 0.1663 -0.2470 439 GLU A C 2794 O O . GLU A 411 ? 1.2940 1.1360 0.9405 0.1922 0.1516 -0.2495 439 GLU A O 2795 C CB . GLU A 411 ? 1.5293 1.3634 1.1308 0.2103 0.1582 -0.2180 439 GLU A CB 2796 C CG . GLU A 411 ? 1.6645 1.5357 1.2498 0.2544 0.1303 -0.2152 439 GLU A CG 2797 C CD . GLU A 411 ? 1.6817 1.6412 1.3023 0.2648 0.1053 -0.2126 439 GLU A CD 2798 O OE1 . GLU A 411 ? 1.6725 1.6421 1.3067 0.2491 0.1109 -0.2080 439 GLU A OE1 2799 O OE2 . GLU A 411 ? 1.7542 1.7734 1.3886 0.2875 0.0813 -0.2169 439 GLU A OE2 2800 N N . LEU A 412 ? 1.1422 1.0245 0.8658 0.1289 0.1688 -0.2600 440 LEU A N 2801 C CA . LEU A 412 ? 0.9570 0.8990 0.7403 0.1126 0.1543 -0.2777 440 LEU A CA 2802 C C . LEU A 412 ? 1.0214 1.0417 0.8711 0.0913 0.1412 -0.2832 440 LEU A C 2803 O O . LEU A 412 ? 1.2726 1.2919 1.1278 0.0789 0.1506 -0.2787 440 LEU A O 2804 C CB . LEU A 412 ? 1.0035 0.8932 0.7833 0.0862 0.1787 -0.2971 440 LEU A CB 2805 C CG . LEU A 412 ? 1.0729 0.9002 0.8360 0.0538 0.2154 -0.3026 440 LEU A CG 2806 C CD1 . LEU A 412 ? 1.0545 0.9426 0.8833 0.0199 0.2170 -0.3168 440 LEU A CD1 2807 C CD2 . LEU A 412 ? 1.1217 0.8765 0.8588 0.0346 0.2425 -0.3196 440 LEU A CD2 2808 N N . TRP A 413 ? 0.8523 0.9372 0.7482 0.0892 0.1196 -0.2929 441 TRP A N 2809 C CA . TRP A 413 ? 0.7895 0.9411 0.7407 0.0736 0.1060 -0.2981 441 TRP A CA 2810 C C . TRP A 413 ? 0.8749 1.0263 0.8611 0.0402 0.1225 -0.3198 441 TRP A C 2811 O O . TRP A 413 ? 0.9253 1.0527 0.9133 0.0260 0.1360 -0.3381 441 TRP A O 2812 C CB . TRP A 413 ? 0.7136 0.9260 0.6937 0.0834 0.0799 -0.3011 441 TRP A CB 2813 C CG . TRP A 413 ? 0.7466 0.9788 0.7049 0.1110 0.0631 -0.2851 441 TRP A CG 2814 C CD1 . TRP A 413 ? 0.7684 1.0027 0.7081 0.1311 0.0546 -0.2855 441 TRP A CD1 2815 C CD2 . TRP A 413 ? 0.7972 1.0536 0.7509 0.1213 0.0538 -0.2700 441 TRP A CD2 2816 N NE1 . TRP A 413 ? 0.7707 1.0359 0.6979 0.1524 0.0405 -0.2730 441 TRP A NE1 2817 C CE2 . TRP A 413 ? 0.7778 1.0565 0.7135 0.1458 0.0401 -0.2639 441 TRP A CE2 2818 C CE3 . TRP A 413 ? 0.8963 1.1614 0.8612 0.1115 0.0558 -0.2637 441 TRP A CE3 2819 C CZ2 . TRP A 413 ? 0.8464 1.1593 0.7775 0.1583 0.0292 -0.2539 441 TRP A CZ2 2820 C CZ3 . TRP A 413 ? 0.8913 1.1841 0.8487 0.1249 0.0444 -0.2519 441 TRP A CZ3 2821 C CH2 . TRP A 413 ? 0.8464 1.1640 0.7881 0.1468 0.0317 -0.2482 441 TRP A CH2 2822 N N . ILE A 414 ? 0.6972 0.8752 0.7104 0.0271 0.1233 -0.3209 442 ILE A N 2823 C CA . ILE A 414 ? 0.8131 1.0116 0.8692 -0.0019 0.1343 -0.3468 442 ILE A CA 2824 C C . ILE A 414 ? 0.7436 1.0152 0.8506 -0.0014 0.1100 -0.3566 442 ILE A C 2825 O O . ILE A 414 ? 0.8833 1.1819 1.0282 -0.0207 0.1159 -0.3810 442 ILE A O 2826 C CB . ILE A 414 ? 0.9034 1.0666 0.9498 -0.0226 0.1627 -0.3494 442 ILE A CB 2827 C CG1 . ILE A 414 ? 0.6588 0.8370 0.7003 -0.0110 0.1540 -0.3302 442 ILE A CG1 2828 C CG2 . ILE A 414 ? 1.0602 1.1401 1.0537 -0.0289 0.1926 -0.3465 442 ILE A CG2 2829 C CD1 . ILE A 414 ? 0.7858 0.9488 0.8315 -0.0332 0.1785 -0.3383 442 ILE A CD1 2830 N N . GLY A 415 ? 0.5523 0.8558 0.6596 0.0194 0.0847 -0.3407 443 GLY A N 2831 C CA . GLY A 415 ? 0.8458 1.2058 0.9941 0.0191 0.0654 -0.3534 443 GLY A CA 2832 C C . GLY A 415 ? 0.8126 1.1954 0.9779 0.0182 0.0594 -0.3500 443 GLY A C 2833 O O . GLY A 415 ? 0.6403 1.0641 0.8336 0.0221 0.0428 -0.3612 443 GLY A O 2834 N N . LEU A 416 ? 0.7951 1.1508 0.9421 0.0148 0.0724 -0.3372 444 LEU A N 2835 C CA . LEU A 416 ? 0.5987 0.9726 0.7603 0.0136 0.0684 -0.3357 444 LEU A CA 2836 C C . LEU A 416 ? 0.5893 0.9658 0.7293 0.0315 0.0510 -0.3110 444 LEU A C 2837 O O . LEU A 416 ? 0.5282 0.8826 0.6380 0.0401 0.0534 -0.2964 444 LEU A O 2838 C CB . LEU A 416 ? 0.5821 0.9253 0.7321 0.0001 0.0930 -0.3357 444 LEU A CB 2839 C CG . LEU A 416 ? 0.6307 0.9911 0.7919 0.0011 0.0887 -0.3331 444 LEU A CG 2840 C CD1 . LEU A 416 ? 0.6606 1.0668 0.8669 -0.0046 0.0808 -0.3587 444 LEU A CD1 2841 C CD2 . LEU A 416 ? 0.6085 0.9323 0.7448 -0.0072 0.1125 -0.3260 444 LEU A CD2 2842 N N . ASN A 417 ? 0.5904 0.9942 0.7440 0.0379 0.0335 -0.3086 445 ASN A N 2843 C CA . ASN A 417 ? 0.6186 1.0257 0.7525 0.0497 0.0196 -0.2886 445 ASN A CA 2844 C C . ASN A 417 ? 0.5775 0.9955 0.7182 0.0514 0.0095 -0.2850 445 ASN A C 2845 O O . ASN A 417 ? 0.6279 1.0586 0.7902 0.0501 0.0061 -0.2990 445 ASN A O 2846 C CB . ASN A 417 ? 0.4232 0.8456 0.5557 0.0574 0.0070 -0.2886 445 ASN A CB 2847 C CG . ASN A 417 ? 0.4576 0.9039 0.6081 0.0618 -0.0084 -0.2980 445 ASN A CG 2848 O OD1 . ASN A 417 ? 0.6740 1.1232 0.8176 0.0669 -0.0189 -0.2886 445 ASN A OD1 2849 N ND2 . ASN A 417 ? 0.4813 0.9419 0.6545 0.0595 -0.0078 -0.3197 445 ASN A ND2 2850 N N . ASP A 418 ? 0.6564 1.0698 0.7786 0.0544 0.0058 -0.2690 446 ASP A N 2851 C CA . ASP A 418 ? 0.7526 1.1697 0.8750 0.0553 -0.0042 -0.2644 446 ASP A CA 2852 C C . ASP A 418 ? 0.7428 1.1654 0.8511 0.0584 -0.0162 -0.2540 446 ASP A C 2853 O O . ASP A 418 ? 0.7588 1.1756 0.8572 0.0556 -0.0201 -0.2468 446 ASP A O 2854 C CB . ASP A 418 ? 0.7367 1.1442 0.8515 0.0517 0.0028 -0.2593 446 ASP A CB 2855 C CG . ASP A 418 ? 0.6709 1.0769 0.7650 0.0537 0.0071 -0.2487 446 ASP A CG 2856 O OD1 . ASP A 418 ? 0.6689 1.0804 0.7547 0.0579 0.0057 -0.2454 446 ASP A OD1 2857 O OD2 . ASP A 418 ? 0.7463 1.1488 0.8322 0.0531 0.0108 -0.2458 446 ASP A OD2 2858 N N . LEU A 419 ? 0.6675 1.0988 0.7720 0.0622 -0.0195 -0.2534 447 LEU A N 2859 C CA . LEU A 419 ? 0.7229 1.1594 0.8117 0.0638 -0.0281 -0.2445 447 LEU A CA 2860 C C . LEU A 419 ? 0.8102 1.2340 0.8896 0.0656 -0.0370 -0.2411 447 LEU A C 2861 O O . LEU A 419 ? 0.9624 1.3786 1.0211 0.0598 -0.0375 -0.2303 447 LEU A O 2862 C CB . LEU A 419 ? 0.6218 1.0702 0.7121 0.0707 -0.0321 -0.2495 447 LEU A CB 2863 C CG . LEU A 419 ? 0.5975 1.0530 0.6828 0.0713 -0.0248 -0.2480 447 LEU A CG 2864 C CD1 . LEU A 419 ? 0.5740 1.0367 0.6643 0.0777 -0.0269 -0.2573 447 LEU A CD1 2865 C CD2 . LEU A 419 ? 0.5091 0.9765 0.5769 0.0684 -0.0255 -0.2369 447 LEU A CD2 2866 N N . LYS A 420 ? 0.7391 1.1593 0.8301 0.0742 -0.0433 -0.2518 448 LYS A N 2867 C CA . LYS A 420 ? 0.8288 1.2301 0.9019 0.0828 -0.0536 -0.2485 448 LYS A CA 2868 C C . LYS A 420 ? 0.9587 1.3382 1.0234 0.0760 -0.0504 -0.2430 448 LYS A C 2869 O O . LYS A 420 ? 1.0925 1.4447 1.1288 0.0749 -0.0529 -0.2328 448 LYS A O 2870 C CB . LYS A 420 ? 0.8976 1.3096 0.9850 0.1006 -0.0648 -0.2657 448 LYS A CB 2871 C CG . LYS A 420 ? 1.0430 1.4303 1.1032 0.1181 -0.0781 -0.2627 448 LYS A CG 2872 C CD . LYS A 420 ? 1.1761 1.5849 1.2544 0.1405 -0.0915 -0.2853 448 LYS A CD 2873 C CE . LYS A 420 ? 1.2333 1.6716 1.3218 0.1484 -0.0975 -0.2963 448 LYS A CE 2874 N NZ . LYS A 420 ? 1.2517 1.7230 1.3639 0.1695 -0.1109 -0.3248 448 LYS A NZ 2875 N N . LEU A 421 ? 0.9079 1.2947 0.9934 0.0714 -0.0438 -0.2506 449 LEU A N 2876 C CA . LEU A 421 ? 0.7432 1.1125 0.8219 0.0650 -0.0406 -0.2473 449 LEU A CA 2877 C C . LEU A 421 ? 0.6829 1.0656 0.7755 0.0550 -0.0288 -0.2490 449 LEU A C 2878 O O . LEU A 421 ? 0.6753 1.0697 0.7873 0.0573 -0.0234 -0.2590 449 LEU A O 2879 C CB . LEU A 421 ? 0.6984 1.0567 0.7810 0.0790 -0.0492 -0.2580 449 LEU A CB 2880 C CG . LEU A 421 ? 0.8297 1.1673 0.9051 0.0757 -0.0475 -0.2577 449 LEU A CG 2881 C CD1 . LEU A 421 ? 0.7627 1.0661 0.8037 0.0668 -0.0473 -0.2435 449 LEU A CD1 2882 C CD2 . LEU A 421 ? 0.8675 1.2034 0.9522 0.0944 -0.0567 -0.2730 449 LEU A CD2 2883 N N . GLN A 422 ? 0.6818 1.0625 0.7622 0.0442 -0.0239 -0.2410 450 GLN A N 2884 C CA . GLN A 422 ? 0.6478 1.0414 0.7338 0.0405 -0.0147 -0.2423 450 GLN A CA 2885 C C . GLN A 422 ? 0.7746 1.1639 0.8732 0.0438 -0.0101 -0.2512 450 GLN A C 2886 O O . GLN A 422 ? 0.7943 1.1723 0.8950 0.0454 -0.0143 -0.2559 450 GLN A O 2887 C CB . GLN A 422 ? 0.5650 0.9637 0.6384 0.0302 -0.0128 -0.2382 450 GLN A CB 2888 C CG . GLN A 422 ? 0.7729 1.1897 0.8379 0.0255 -0.0125 -0.2332 450 GLN A CG 2889 C CD . GLN A 422 ? 0.8559 1.2908 0.9237 0.0357 -0.0092 -0.2336 450 GLN A CD 2890 O OE1 . GLN A 422 ? 0.8850 1.3209 0.9528 0.0424 -0.0041 -0.2362 450 GLN A OE1 2891 N NE2 . GLN A 422 ? 0.8151 1.2592 0.8804 0.0383 -0.0113 -0.2308 450 GLN A NE2 2892 N N . MET A 423 ? 0.7498 1.1451 0.8529 0.0454 0.0001 -0.2536 451 MET A N 2893 C CA . MET A 423 ? 0.6726 1.0640 0.7850 0.0456 0.0098 -0.2622 451 MET A CA 2894 C C . MET A 423 ? 0.7665 1.1618 0.9002 0.0480 0.0061 -0.2755 451 MET A C 2895 O O . MET A 423 ? 0.8810 1.2774 1.0246 0.0483 0.0097 -0.2851 451 MET A O 2896 C CB . MET A 423 ? 0.6603 1.0483 0.7638 0.0444 0.0122 -0.2613 451 MET A CB 2897 C CG . MET A 423 ? 0.7245 1.1174 0.8085 0.0462 0.0155 -0.2536 451 MET A CG 2898 S SD . MET A 423 ? 0.8090 1.1918 0.8786 0.0531 0.0302 -0.2506 451 MET A SD 2899 C CE . MET A 423 ? 0.6779 1.0722 0.7205 0.0638 0.0274 -0.2444 451 MET A CE 2900 N N . ASN A 424 ? 0.6976 1.0994 0.8383 0.0520 -0.0023 -0.2783 452 ASN A N 2901 C CA . ASN A 424 ? 0.7168 1.1330 0.8807 0.0571 -0.0055 -0.2961 452 ASN A CA 2902 C C . ASN A 424 ? 0.6931 1.1197 0.8653 0.0544 -0.0016 -0.3009 452 ASN A C 2903 O O . ASN A 424 ? 0.7414 1.1686 0.9044 0.0596 -0.0116 -0.2941 452 ASN A O 2904 C CB . ASN A 424 ? 0.8323 1.2456 0.9921 0.0707 -0.0237 -0.2982 452 ASN A CB 2905 C CG . ASN A 424 ? 1.0277 1.4630 1.2122 0.0815 -0.0292 -0.3214 452 ASN A CG 2906 O OD1 . ASN A 424 ? 1.0861 1.5356 1.2905 0.0767 -0.0192 -0.3360 452 ASN A OD1 2907 N ND2 . ASN A 424 ? 1.1017 1.5442 1.2847 0.0970 -0.0448 -0.3272 452 ASN A ND2 2908 N N . PHE A 425 ? 0.7256 1.1582 0.9133 0.0451 0.0144 -0.3140 453 PHE A N 2909 C CA . PHE A 425 ? 0.6510 1.0832 0.8405 0.0388 0.0230 -0.3177 453 PHE A CA 2910 C C . PHE A 425 ? 0.6249 1.0856 0.8444 0.0390 0.0188 -0.3423 453 PHE A C 2911 O O . PHE A 425 ? 0.6369 1.1195 0.8814 0.0374 0.0205 -0.3630 453 PHE A O 2912 C CB . PHE A 425 ? 0.5566 0.9666 0.7352 0.0262 0.0471 -0.3162 453 PHE A CB 2913 C CG . PHE A 425 ? 0.5821 0.9676 0.7266 0.0312 0.0494 -0.2939 453 PHE A CG 2914 C CD1 . PHE A 425 ? 0.4455 0.8205 0.5714 0.0360 0.0483 -0.2841 453 PHE A CD1 2915 C CD2 . PHE A 425 ? 0.5483 0.9260 0.6799 0.0333 0.0516 -0.2855 453 PHE A CD2 2916 C CE1 . PHE A 425 ? 0.4739 0.8348 0.5698 0.0444 0.0486 -0.2677 453 PHE A CE1 2917 C CE2 . PHE A 425 ? 0.5878 0.9512 0.6891 0.0407 0.0519 -0.2691 453 PHE A CE2 2918 C CZ . PHE A 425 ? 0.4883 0.8454 0.5723 0.0471 0.0500 -0.2609 453 PHE A CZ 2919 N N . GLU A 426 ? 0.6132 1.0779 0.8309 0.0413 0.0135 -0.3428 454 GLU A N 2920 C CA . GLU A 426 ? 0.6277 1.1243 0.8715 0.0452 0.0050 -0.3670 454 GLU A CA 2921 C C . GLU A 426 ? 0.5364 1.0276 0.7815 0.0339 0.0169 -0.3737 454 GLU A C 2922 O O . GLU A 426 ? 0.5918 1.0531 0.8102 0.0317 0.0241 -0.3543 454 GLU A O 2923 C CB . GLU A 426 ? 0.6392 1.1461 0.8729 0.0668 -0.0205 -0.3606 454 GLU A CB 2924 C CG . GLU A 426 ? 0.8130 1.3199 1.0434 0.0795 -0.0321 -0.3587 454 GLU A CG 2925 C CD . GLU A 426 ? 1.0445 1.5448 1.2514 0.1009 -0.0539 -0.3482 454 GLU A CD 2926 O OE1 . GLU A 426 ? 1.1275 1.6247 1.3200 0.1036 -0.0587 -0.3395 454 GLU A OE1 2927 O OE2 . GLU A 426 ? 1.1451 1.6388 1.3434 0.1153 -0.0649 -0.3482 454 GLU A OE2 2928 N N . TRP A 427 ? 0.5877 1.1093 0.8641 0.0276 0.0193 -0.4042 455 TRP A N 2929 C CA . TRP A 427 ? 0.4317 0.9501 0.7108 0.0179 0.0277 -0.4150 455 TRP A CA 2930 C C . TRP A 427 ? 0.5191 1.0557 0.7925 0.0380 0.0035 -0.4119 455 TRP A C 2931 O O . TRP A 427 ? 0.6268 1.1910 0.9073 0.0564 -0.0174 -0.4171 455 TRP A O 2932 C CB . TRP A 427 ? 0.4419 0.9882 0.7594 -0.0022 0.0434 -0.4536 455 TRP A CB 2933 C CG . TRP A 427 ? 0.4600 0.9820 0.7772 -0.0259 0.0728 -0.4565 455 TRP A CG 2934 C CD1 . TRP A 427 ? 0.4575 1.0050 0.7999 -0.0340 0.0803 -0.4742 455 TRP A CD1 2935 C CD2 . TRP A 427 ? 0.5234 0.9866 0.8064 -0.0413 0.0987 -0.4389 455 TRP A CD2 2936 N NE1 . TRP A 427 ? 0.5879 1.0970 0.9155 -0.0572 0.1117 -0.4695 455 TRP A NE1 2937 C CE2 . TRP A 427 ? 0.5110 0.9641 0.7985 -0.0605 0.1231 -0.4466 455 TRP A CE2 2938 C CE3 . TRP A 427 ? 0.5085 0.9258 0.7541 -0.0379 0.1034 -0.4183 455 TRP A CE3 2939 C CZ2 . TRP A 427 ? 0.6181 1.0103 0.8683 -0.0761 0.1528 -0.4323 455 TRP A CZ2 2940 C CZ3 . TRP A 427 ? 0.5483 0.9066 0.7577 -0.0501 0.1306 -0.4053 455 TRP A CZ3 2941 C CH2 . TRP A 427 ? 0.8027 1.1457 1.0120 -0.0688 0.1554 -0.4111 455 TRP A CH2 2942 N N . SER A 428 ? 0.4839 1.0012 0.7385 0.0372 0.0063 -0.4023 456 SER A N 2943 C CA . SER A 428 ? 0.4987 1.0340 0.7454 0.0556 -0.0149 -0.3996 456 SER A CA 2944 C C . SER A 428 ? 0.5150 1.0971 0.7939 0.0616 -0.0269 -0.4339 456 SER A C 2945 O O . SER A 428 ? 0.4452 1.0481 0.7168 0.0837 -0.0492 -0.4332 456 SER A O 2946 C CB . SER A 428 ? 0.4335 0.9452 0.6576 0.0541 -0.0091 -0.3882 456 SER A CB 2947 O OG . SER A 428 ? 0.6838 1.1922 0.9237 0.0381 0.0066 -0.4122 456 SER A OG 2948 N N . ASP A 429 ? 0.4674 1.0683 0.7804 0.0427 -0.0119 -0.4659 457 ASP A N 2949 C CA . ASP A 429 ? 0.5177 1.1739 0.8669 0.0476 -0.0232 -0.5055 457 ASP A CA 2950 C C . ASP A 429 ? 0.6436 1.3397 1.0142 0.0626 -0.0376 -0.5213 457 ASP A C 2951 O O . ASP A 429 ? 0.6098 1.3614 1.0166 0.0668 -0.0457 -0.5610 457 ASP A O 2952 C CB . ASP A 429 ? 0.5278 1.1912 0.9066 0.0167 0.0014 -0.5392 457 ASP A CB 2953 C CG . ASP A 429 ? 0.6108 1.2615 1.0053 -0.0113 0.0294 -0.5484 457 ASP A CG 2954 O OD1 . ASP A 429 ? 0.7023 1.3556 1.0964 -0.0047 0.0265 -0.5377 457 ASP A OD1 2955 O OD2 . ASP A 429 ? 0.6057 1.2392 1.0095 -0.0414 0.0567 -0.5668 457 ASP A OD2 2956 N N . GLY A 430 ? 0.5412 1.2128 0.8914 0.0710 -0.0405 -0.4949 458 GLY A N 2957 C CA . GLY A 430 ? 0.4156 1.1189 0.7792 0.0905 -0.0564 -0.5083 458 GLY A CA 2958 C C . GLY A 430 ? 0.4758 1.2130 0.8820 0.0720 -0.0404 -0.5416 458 GLY A C 2959 O O . GLY A 430 ? 0.5510 1.3191 0.9709 0.0897 -0.0533 -0.5565 458 GLY A O 2960 N N . SER A 431 ? 0.4961 1.2259 0.9203 0.0373 -0.0114 -0.5546 459 SER A N 2961 C CA . SER A 431 ? 0.4310 1.1865 0.8916 0.0125 0.0106 -0.5845 459 SER A CA 2962 C C . SER A 431 ? 0.4492 1.1760 0.8936 0.0122 0.0187 -0.5612 459 SER A C 2963 O O . SER A 431 ? 0.4745 1.1457 0.8780 0.0154 0.0203 -0.5202 459 SER A O 2964 C CB . SER A 431 ? 0.5097 1.2444 0.9788 -0.0265 0.0442 -0.5974 459 SER A CB 2965 O OG . SER A 431 ? 0.8327 1.5827 1.3310 -0.0579 0.0682 -0.6220 459 SER A OG 2966 N N . LEU A 432 ? 0.5104 1.2694 0.9806 0.0062 0.0194 -0.5840 460 LEU A N 2967 C CA . LEU A 432 ? 0.5355 1.2742 0.9957 0.0045 0.0297 -0.5682 460 LEU A CA 2968 C C . LEU A 432 ? 0.6607 1.3473 1.1005 -0.0240 0.0655 -0.5487 460 LEU A C 2969 O O . LEU A 432 ? 0.7165 1.3950 1.1656 -0.0541 0.0922 -0.5638 460 LEU A O 2970 C CB . LEU A 432 ? 0.4981 1.2763 0.9870 -0.0046 0.0288 -0.5991 460 LEU A CB 2971 C CG . LEU A 432 ? 0.5956 1.4128 1.0880 0.0291 -0.0071 -0.6173 460 LEU A CG 2972 C CD1 . LEU A 432 ? 0.5966 1.4548 1.1174 0.0131 -0.0012 -0.6565 460 LEU A CD1 2973 C CD2 . LEU A 432 ? 0.7014 1.4946 1.1663 0.0608 -0.0239 -0.5881 460 LEU A CD2 2974 N N . VAL A 433 ? 0.6389 1.2826 1.0444 -0.0161 0.0650 -0.5139 461 VAL A N 2975 C CA . VAL A 433 ? 0.4487 1.0370 0.8243 -0.0385 0.0941 -0.4917 461 VAL A CA 2976 C C . VAL A 433 ? 0.4924 1.1011 0.8912 -0.0581 0.1176 -0.5149 461 VAL A C 2977 O O . VAL A 433 ? 0.5673 1.1870 0.9673 -0.0454 0.1095 -0.5115 461 VAL A O 2978 C CB . VAL A 433 ? 0.5200 1.0629 0.8517 -0.0210 0.0828 -0.4494 461 VAL A CB 2979 C CG1 . VAL A 433 ? 0.6392 1.1278 0.9362 -0.0382 0.1104 -0.4288 461 VAL A CG1 2980 C CG2 . VAL A 433 ? 0.6213 1.1568 0.9352 -0.0001 0.0571 -0.4305 461 VAL A CG2 2981 N N . SER A 434 ? 0.7028 1.3167 1.1199 -0.0907 0.1483 -0.5409 462 SER A N 2982 C CA . SER A 434 ? 0.5786 1.2076 1.0138 -0.1145 0.1720 -0.5603 462 SER A CA 2983 C C . SER A 434 ? 0.6750 1.2398 1.0688 -0.1363 0.2109 -0.5406 462 SER A C 2984 O O . SER A 434 ? 0.8355 1.4033 1.2321 -0.1496 0.2278 -0.5460 462 SER A O 2985 C CB . SER A 434 ? 0.5888 1.2625 1.0683 -0.1428 0.1804 -0.6026 462 SER A CB 2986 O OG . SER A 434 ? 0.7735 1.4118 1.2424 -0.1714 0.2108 -0.6076 462 SER A OG 2987 N N . PHE A 435 ? 0.7091 1.2066 1.0558 -0.1374 0.2183 -0.5100 463 PHE A N 2988 C CA . PHE A 435 ? 0.9335 1.3622 1.2285 -0.1487 0.2474 -0.4843 463 PHE A CA 2989 C C . PHE A 435 ? 0.8453 1.2142 1.0874 -0.1280 0.2356 -0.4447 463 PHE A C 2990 O O . PHE A 435 ? 0.9049 1.2814 1.1525 -0.1157 0.2147 -0.4419 463 PHE A O 2991 C CB . PHE A 435 ? 1.1394 1.5424 1.4313 -0.1910 0.2947 -0.5065 463 PHE A CB 2992 C CG . PHE A 435 ? 1.1422 1.4754 1.3922 -0.2034 0.3139 -0.4938 463 PHE A CG 2993 C CD1 . PHE A 435 ? 1.1820 1.4285 1.3641 -0.2089 0.3425 -0.4657 463 PHE A CD1 2994 C CD2 . PHE A 435 ? 1.2768 1.6259 1.5477 -0.2043 0.3016 -0.5080 463 PHE A CD2 2995 C CE1 . PHE A 435 ? 1.2612 1.4355 1.3966 -0.2153 0.3598 -0.4530 463 PHE A CE1 2996 C CE2 . PHE A 435 ? 1.4831 1.7627 1.7112 -0.2134 0.3193 -0.4960 463 PHE A CE2 2997 C CZ . PHE A 435 ? 1.4589 1.6488 1.6178 -0.2180 0.3482 -0.4681 463 PHE A CZ 2998 N N . THR A 436 ? 0.7212 1.0363 0.9123 -0.1219 0.2479 -0.4160 464 THR A N 2999 C CA . THR A 436 ? 0.6924 0.9547 0.8301 -0.0995 0.2383 -0.3806 464 THR A CA 3000 C C . THR A 436 ? 0.8581 1.0448 0.9363 -0.1108 0.2747 -0.3664 464 THR A C 3001 O O . THR A 436 ? 0.9074 1.0860 0.9841 -0.1325 0.3034 -0.3779 464 THR A O 3002 C CB . THR A 436 ? 0.7591 1.0413 0.8919 -0.0699 0.2075 -0.3596 464 THR A CB 3003 O OG1 . THR A 436 ? 0.9440 1.2323 1.0762 -0.0739 0.2186 -0.3618 464 THR A OG1 3004 C CG2 . THR A 436 ? 0.6328 0.9746 0.8115 -0.0573 0.1739 -0.3703 464 THR A CG2 3005 N N . HIS A 437 ? 0.8881 1.0171 0.9142 -0.0963 0.2757 -0.3434 465 HIS A N 3006 C CA . HIS A 437 ? 0.9474 0.9985 0.9012 -0.0919 0.3020 -0.3217 465 HIS A CA 3007 C C . HIS A 437 ? 0.8557 0.8877 0.7681 -0.0527 0.2760 -0.2925 465 HIS A C 3008 O O . HIS A 437 ? 1.1630 1.1693 1.0553 -0.0421 0.2701 -0.2861 465 HIS A O 3009 C CB . HIS A 437 ? 1.2071 1.1893 1.1269 -0.1188 0.3419 -0.3298 465 HIS A CB 3010 C CG . HIS A 437 ? 1.5461 1.4358 1.3800 -0.1123 0.3719 -0.3063 465 HIS A CG 3011 N ND1 . HIS A 437 ? 1.6703 1.4717 1.4465 -0.1242 0.4044 -0.3025 465 HIS A ND1 3012 C CD2 . HIS A 437 ? 1.6712 1.5389 1.4615 -0.0929 0.3742 -0.2858 465 HIS A CD2 3013 C CE1 . HIS A 437 ? 1.7863 1.5112 1.4825 -0.1099 0.4252 -0.2787 465 HIS A CE1 3014 N NE2 . HIS A 437 ? 1.7757 1.5429 1.4804 -0.0904 0.4068 -0.2688 465 HIS A NE2 3015 N N . TRP A 438 ? 0.9030 0.9450 0.7988 -0.0317 0.2634 -0.2770 466 TRP A N 3016 C CA . TRP A 438 ? 0.9300 0.9719 0.7962 0.0045 0.2367 -0.2553 466 TRP A CA 3017 C C . TRP A 438 ? 1.0988 1.0693 0.8835 0.0255 0.2537 -0.2346 466 TRP A C 3018 O O . TRP A 438 ? 1.0836 1.0153 0.8361 0.0157 0.2814 -0.2326 466 TRP A O 3019 C CB . TRP A 438 ? 0.7350 0.8398 0.6367 0.0160 0.2083 -0.2547 466 TRP A CB 3020 C CG . TRP A 438 ? 0.7097 0.8795 0.6775 0.0079 0.1841 -0.2692 466 TRP A CG 3021 C CD1 . TRP A 438 ? 0.6959 0.9074 0.7115 -0.0078 0.1822 -0.2868 466 TRP A CD1 3022 C CD2 . TRP A 438 ? 0.6825 0.8803 0.6691 0.0191 0.1580 -0.2669 466 TRP A CD2 3023 N NE1 . TRP A 438 ? 0.6244 0.8824 0.6824 -0.0046 0.1559 -0.2943 466 TRP A NE1 3024 C CE2 . TRP A 438 ? 0.6951 0.9443 0.7356 0.0098 0.1422 -0.2816 466 TRP A CE2 3025 C CE3 . TRP A 438 ? 0.8081 0.9923 0.7684 0.0375 0.1472 -0.2548 466 TRP A CE3 3026 C CZ2 . TRP A 438 ? 0.7840 1.0652 0.8481 0.0170 0.1177 -0.2822 466 TRP A CZ2 3027 C CZ3 . TRP A 438 ? 0.7348 0.9580 0.7251 0.0419 0.1235 -0.2573 466 TRP A CZ3 3028 C CH2 . TRP A 438 ? 0.7006 0.9687 0.7400 0.0309 0.1100 -0.2698 466 TRP A CH2 3029 N N . HIS A 439 ? 1.1367 1.0910 0.8851 0.0571 0.2367 -0.2200 467 HIS A N 3030 C CA . HIS A 439 ? 1.2028 1.1108 0.8780 0.0896 0.2402 -0.2011 467 HIS A CA 3031 C C . HIS A 439 ? 1.1342 1.0865 0.8226 0.0982 0.2271 -0.1996 467 HIS A C 3032 O O . HIS A 439 ? 1.0216 1.0441 0.7721 0.0898 0.2047 -0.2094 467 HIS A O 3033 C CB . HIS A 439 ? 1.2979 1.2023 0.9420 0.1269 0.2175 -0.1908 467 HIS A CB 3034 C CG . HIS A 439 ? 1.5732 1.4220 1.1894 0.1256 0.2307 -0.1905 467 HIS A CG 3035 N ND1 . HIS A 439 ? 1.7583 1.5105 1.3020 0.1265 0.2638 -0.1821 467 HIS A ND1 3036 C CD2 . HIS A 439 ? 1.6377 1.5096 1.2847 0.1236 0.2164 -0.1979 467 HIS A CD2 3037 C CE1 . HIS A 439 ? 1.7828 1.4999 1.3158 0.1241 0.2692 -0.1855 467 HIS A CE1 3038 N NE2 . HIS A 439 ? 1.7013 1.4934 1.2982 0.1230 0.2399 -0.1956 467 HIS A NE2 3039 N N . PRO A 440 ? 1.3266 1.5548 0.6443 0.0924 -0.0087 -0.2479 468 PRO A N 3040 C CA . PRO A 440 ? 1.2672 1.4888 0.5401 0.0949 -0.0427 -0.2815 468 PRO A CA 3041 C C . PRO A 440 ? 1.3189 1.5762 0.6614 0.0725 -0.0862 -0.3070 468 PRO A C 3042 O O . PRO A 440 ? 1.2574 1.5567 0.6751 0.0682 -0.0994 -0.2922 468 PRO A O 3043 C CB . PRO A 440 ? 1.3401 1.5509 0.5259 0.1264 -0.0622 -0.2690 468 PRO A CB 3044 C CG . PRO A 440 ? 1.3295 1.5205 0.4946 0.1408 -0.0150 -0.2304 468 PRO A CG 3045 C CD . PRO A 440 ? 1.2401 1.4482 0.4940 0.1187 0.0054 -0.2165 468 PRO A CD 3046 N N . PHE A 441 ? 1.3506 1.5845 0.6669 0.0574 -0.1015 -0.3433 469 PHE A N 3047 C CA . PHE A 441 ? 1.3269 1.5805 0.6968 0.0273 -0.1405 -0.3733 469 PHE A CA 3048 C C . PHE A 441 ? 1.4010 1.6845 0.8854 0.0065 -0.1198 -0.3674 469 PHE A C 3049 O O . PHE A 441 ? 1.5046 1.8034 1.0446 -0.0207 -0.1433 -0.3894 469 PHE A O 3050 C CB . PHE A 441 ? 1.2966 1.6020 0.6829 0.0246 -0.2020 -0.3705 469 PHE A CB 3051 C CG . PHE A 441 ? 1.5788 1.8660 0.8554 0.0468 -0.2316 -0.3708 469 PHE A CG 3052 C CD1 . PHE A 441 ? 1.7396 1.9531 0.8983 0.0623 -0.2097 -0.3858 469 PHE A CD1 3053 C CD2 . PHE A 441 ? 1.7593 2.1068 1.0504 0.0551 -0.2816 -0.3526 469 PHE A CD2 3054 C CE1 . PHE A 441 ? 1.8389 2.0272 0.8919 0.0836 -0.2353 -0.3835 469 PHE A CE1 3055 C CE2 . PHE A 441 ? 1.9070 2.2407 1.0931 0.0764 -0.3131 -0.3514 469 PHE A CE2 3056 C CZ . PHE A 441 ? 1.9534 2.2035 1.0135 0.0907 -0.2906 -0.3700 469 PHE A CZ 3057 N N . GLU A 442 ? 1.0889 1.3766 0.6048 0.0157 -0.0773 -0.3380 470 GLU A N 3058 C CA . GLU A 442 ? 1.0969 1.3952 0.6972 -0.0030 -0.0502 -0.3346 470 GLU A CA 3059 C C . GLU A 442 ? 1.0628 1.3282 0.6488 -0.0109 -0.0139 -0.3473 470 GLU A C 3060 O O . GLU A 442 ? 1.1405 1.3757 0.6525 0.0041 0.0053 -0.3459 470 GLU A O 3061 C CB . GLU A 442 ? 0.9903 1.3011 0.6244 0.0054 -0.0261 -0.2980 470 GLU A CB 3062 C CG . GLU A 442 ? 1.0252 1.3676 0.6691 0.0241 -0.0557 -0.2788 470 GLU A CG 3063 C CD . GLU A 442 ? 1.0882 1.4814 0.8238 0.0124 -0.0861 -0.2835 470 GLU A CD 3064 O OE1 . GLU A 442 ? 1.1644 1.5598 0.9615 -0.0098 -0.0750 -0.2968 470 GLU A OE1 3065 O OE2 . GLU A 442 ? 1.1000 1.5368 0.8515 0.0268 -0.1193 -0.2687 470 GLU A OE2 3066 N N . PRO A 443 ? 1.0488 1.3227 0.7071 -0.0298 0.0004 -0.3536 471 PRO A N 3067 C CA . PRO A 443 ? 0.9826 1.2875 0.7318 -0.0473 -0.0159 -0.3568 471 PRO A CA 3068 C C . PRO A 443 ? 1.1317 1.4411 0.8866 -0.0633 -0.0597 -0.3883 471 PRO A C 3069 O O . PRO A 443 ? 1.1286 1.3961 0.8363 -0.0710 -0.0584 -0.4167 471 PRO A O 3070 C CB . PRO A 443 ? 0.8429 1.1392 0.6362 -0.0583 0.0227 -0.3542 471 PRO A CB 3071 C CG . PRO A 443 ? 0.8832 1.1463 0.6149 -0.0509 0.0446 -0.3650 471 PRO A CG 3072 C CD . PRO A 443 ? 0.9221 1.1721 0.5688 -0.0308 0.0388 -0.3573 471 PRO A CD 3073 N N . ASN A 444 ? 1.1510 1.5078 0.9583 -0.0692 -0.0972 -0.3816 472 ASN A N 3074 C CA . ASN A 444 ? 1.1963 1.5669 1.0215 -0.0961 -0.1435 -0.4089 472 ASN A CA 3075 C C . ASN A 444 ? 1.2310 1.6368 1.1645 -0.1235 -0.1512 -0.4118 472 ASN A C 3076 O O . ASN A 444 ? 1.4221 1.8277 1.3599 -0.1549 -0.1883 -0.4386 472 ASN A O 3077 C CB . ASN A 444 ? 1.2363 1.6504 1.0404 -0.0884 -0.1942 -0.3983 472 ASN A CB 3078 C CG . ASN A 444 ? 1.2832 1.7463 1.1322 -0.0591 -0.1837 -0.3534 472 ASN A CG 3079 O OD1 . ASN A 444 ? 1.2843 1.7773 1.2212 -0.0591 -0.1646 -0.3330 472 ASN A OD1 3080 N ND2 . ASN A 444 ? 1.4051 1.8682 1.1860 -0.0312 -0.1931 -0.3365 472 ASN A ND2 3081 N N . ASN A 445 ? 1.1670 1.5907 1.1773 -0.1171 -0.1155 -0.3887 473 ASN A N 3082 C CA . ASN A 445 ? 1.0087 1.4762 1.1255 -0.1395 -0.1274 -0.3855 473 ASN A CA 3083 C C . ASN A 445 ? 1.0672 1.6013 1.2105 -0.1483 -0.1857 -0.3775 473 ASN A C 3084 O O . ASN A 445 ? 1.0758 1.6211 1.2340 -0.1853 -0.2255 -0.4018 473 ASN A O 3085 C CB . ASN A 445 ? 0.9666 1.3936 1.0950 -0.1715 -0.1199 -0.4195 473 ASN A CB 3086 C CG . ASN A 445 ? 0.8820 1.2712 1.0229 -0.1611 -0.0633 -0.4149 473 ASN A CG 3087 O OD1 . ASN A 445 ? 0.8670 1.2721 1.0385 -0.1406 -0.0353 -0.3850 473 ASN A OD1 3088 N ND2 . ASN A 445 ? 0.7969 1.1309 0.9076 -0.1747 -0.0454 -0.4428 473 ASN A ND2 3089 N N . PHE A 446 ? 1.0349 1.6184 1.1979 -0.1175 -0.1894 -0.3388 474 PHE A N 3090 C CA . PHE A 446 ? 1.0272 1.6747 1.1897 -0.1154 -0.2448 -0.3258 474 PHE A CA 3091 C C . PHE A 446 ? 1.0110 1.7419 1.2790 -0.1482 -0.2891 -0.3191 474 PHE A C 3092 O O . PHE A 446 ? 1.0126 1.7787 1.3842 -0.1521 -0.2672 -0.2994 474 PHE A O 3093 C CB . PHE A 446 ? 1.0167 1.6911 1.1754 -0.0665 -0.2267 -0.2792 474 PHE A CB 3094 C CG . PHE A 446 ? 1.1420 1.8841 1.2913 -0.0533 -0.2786 -0.2582 474 PHE A CG 3095 C CD1 . PHE A 446 ? 1.2333 1.9419 1.2700 -0.0438 -0.3007 -0.2731 474 PHE A CD1 3096 C CD2 . PHE A 446 ? 1.1054 1.9490 1.3589 -0.0474 -0.3039 -0.2192 474 PHE A CD2 3097 C CE1 . PHE A 446 ? 1.2434 2.0145 1.2649 -0.0296 -0.3498 -0.2520 474 PHE A CE1 3098 C CE2 . PHE A 446 ? 1.1870 2.1040 1.4349 -0.0334 -0.3540 -0.1945 474 PHE A CE2 3099 C CZ . PHE A 446 ? 1.2716 2.1506 1.4000 -0.0249 -0.3787 -0.2122 474 PHE A CZ 3100 N N . ARG A 447 ? 0.9742 1.7362 1.2099 -0.1739 -0.3535 -0.3343 475 ARG A N 3101 C CA . ARG A 447 ? 0.9995 1.8520 1.3269 -0.2155 -0.4109 -0.3272 475 ARG A CA 3102 C C . ARG A 447 ? 1.0929 1.9202 1.4844 -0.2606 -0.3956 -0.3522 475 ARG A C 3103 O O . ARG A 447 ? 1.1078 2.0164 1.6199 -0.2864 -0.4137 -0.3306 475 ARG A O 3104 C CB . ARG A 447 ? 0.9583 1.9314 1.3943 -0.1834 -0.4189 -0.2634 475 ARG A CB 3105 N N . ASP A 448 ? 1.0549 1.7706 1.3661 -0.2671 -0.3585 -0.3937 476 ASP A N 3106 C CA . ASP A 448 ? 1.0917 1.7609 1.4442 -0.2981 -0.3282 -0.4170 476 ASP A CA 3107 C C . ASP A 448 ? 1.1115 1.8403 1.5964 -0.2811 -0.2894 -0.3756 476 ASP A C 3108 O O . ASP A 448 ? 1.1615 1.9544 1.7547 -0.3123 -0.3070 -0.3619 476 ASP A O 3109 C CB . ASP A 448 ? 1.1717 1.8290 1.5169 -0.3655 -0.3816 -0.4539 476 ASP A CB 3110 C CG . ASP A 448 ? 1.4650 2.0160 1.6505 -0.3780 -0.3979 -0.5032 476 ASP A CG 3111 O OD1 . ASP A 448 ? 1.6578 2.1427 1.7579 -0.3339 -0.3534 -0.5083 476 ASP A OD1 3112 O OD2 . ASP A 448 ? 1.5305 2.0470 1.6671 -0.4244 -0.4485 -0.5230 476 ASP A OD2 3113 N N . SER A 449 ? 1.0507 1.7529 1.5176 -0.2311 -0.2351 -0.3541 477 SER A N 3114 C CA . SER A 449 ? 0.9867 1.7067 1.5399 -0.2075 -0.1845 -0.3206 477 SER A CA 3115 C C . SER A 449 ? 1.0314 1.6592 1.5157 -0.1866 -0.1274 -0.3351 477 SER A C 3116 O O . SER A 449 ? 1.1222 1.6968 1.5040 -0.1760 -0.1247 -0.3542 477 SER A O 3117 C CB . SER A 449 ? 1.0199 1.8104 1.6200 -0.1635 -0.1793 -0.2661 477 SER A CB 3118 O OG . SER A 449 ? 1.0764 1.8237 1.5781 -0.1255 -0.1639 -0.2610 477 SER A OG 3119 N N . LEU A 450 ? 0.9330 1.5465 1.4745 -0.1805 -0.0817 -0.3226 478 LEU A N 3120 C CA . LEU A 450 ? 0.7964 1.3353 1.2783 -0.1621 -0.0316 -0.3298 478 LEU A CA 3121 C C . LEU A 450 ? 0.7350 1.2660 1.1659 -0.1237 -0.0143 -0.3023 478 LEU A C 3122 O O . LEU A 450 ? 0.6830 1.2469 1.1586 -0.0996 -0.0030 -0.2655 478 LEU A O 3123 C CB . LEU A 450 ? 0.7191 1.2439 1.2683 -0.1637 0.0108 -0.3204 478 LEU A CB 3124 C CG . LEU A 450 ? 0.7815 1.2915 1.3672 -0.2023 0.0050 -0.3498 478 LEU A CG 3125 C CD1 . LEU A 450 ? 0.7277 1.2350 1.3927 -0.2008 0.0461 -0.3330 478 LEU A CD1 3126 C CD2 . LEU A 450 ? 0.8250 1.2606 1.3149 -0.2106 0.0129 -0.3877 478 LEU A CD2 3127 N N . GLU A 451 ? 0.6593 1.1443 0.9938 -0.1173 -0.0103 -0.3176 479 GLU A N 3128 C CA . GLU A 451 ? 0.6362 1.0949 0.9119 -0.0889 0.0139 -0.2945 479 GLU A CA 3129 C C . GLU A 451 ? 0.6903 1.0931 0.9175 -0.0946 0.0483 -0.3070 479 GLU A C 3130 O O . GLU A 451 ? 0.6970 1.0781 0.8655 -0.1013 0.0433 -0.3280 479 GLU A O 3131 C CB . GLU A 451 ? 0.6528 1.1226 0.8637 -0.0759 -0.0154 -0.2919 479 GLU A CB 3132 C CG . GLU A 451 ? 0.6726 1.2088 0.9309 -0.0620 -0.0479 -0.2670 479 GLU A CG 3133 C CD . GLU A 451 ? 0.7771 1.3224 0.9630 -0.0460 -0.0776 -0.2634 479 GLU A CD 3134 O OE1 . GLU A 451 ? 0.7784 1.2834 0.8816 -0.0527 -0.0829 -0.2884 479 GLU A OE1 3135 O OE2 . GLU A 451 ? 0.8511 1.4426 1.0604 -0.0211 -0.0905 -0.2306 479 GLU A OE2 3136 N N . ASP A 452 ? 0.6904 1.0719 0.9402 -0.0894 0.0842 -0.2899 480 ASP A N 3137 C CA . ASP A 452 ? 0.6858 1.0296 0.9086 -0.0977 0.1137 -0.2968 480 ASP A CA 3138 C C . ASP A 452 ? 0.6279 0.9374 0.7838 -0.0916 0.1352 -0.2771 480 ASP A C 3139 O O . ASP A 452 ? 0.6004 0.8912 0.7341 -0.1012 0.1549 -0.2779 480 ASP A O 3140 C CB . ASP A 452 ? 0.8312 1.1716 1.1217 -0.1033 0.1359 -0.2955 480 ASP A CB 3141 C CG . ASP A 452 ? 0.8576 1.2217 1.2057 -0.1206 0.1164 -0.3196 480 ASP A CG 3142 O OD1 . ASP A 452 ? 0.7041 1.0728 1.0197 -0.1304 0.0883 -0.3421 480 ASP A OD1 3143 O OD2 . ASP A 452 ? 0.8470 1.2184 1.2654 -0.1261 0.1296 -0.3160 480 ASP A OD2 3144 N N . CYS A 453 ? 0.5795 0.8802 0.6993 -0.0779 0.1318 -0.2577 481 CYS A N 3145 C CA . CYS A 453 ? 0.6882 0.9429 0.7394 -0.0808 0.1540 -0.2394 481 CYS A CA 3146 C C . CYS A 453 ? 0.6886 0.9368 0.6766 -0.0723 0.1421 -0.2310 481 CYS A C 3147 O O . CYS A 453 ? 0.6691 0.9403 0.6682 -0.0538 0.1230 -0.2280 481 CYS A O 3148 C CB . CYS A 453 ? 0.6648 0.8777 0.7176 -0.0718 0.1806 -0.2170 481 CYS A CB 3149 S SG . CYS A 453 ? 0.7840 0.9947 0.9021 -0.0781 0.2016 -0.2218 481 CYS A SG 3150 N N . VAL A 454 ? 0.7308 0.9501 0.6537 -0.0865 0.1540 -0.2226 482 VAL A N 3151 C CA . VAL A 454 ? 0.8052 1.0200 0.6671 -0.0810 0.1453 -0.2161 482 VAL A CA 3152 C C . VAL A 454 ? 0.8186 0.9745 0.6199 -0.0779 0.1633 -0.1905 482 VAL A C 3153 O O . VAL A 454 ? 0.9395 1.0483 0.7141 -0.0970 0.1846 -0.1795 482 VAL A O 3154 C CB . VAL A 454 ? 0.8065 1.0362 0.6404 -0.0986 0.1480 -0.2203 482 VAL A CB 3155 C CG1 . VAL A 454 ? 0.7155 0.9362 0.4848 -0.0926 0.1451 -0.2092 482 VAL A CG1 3156 C CG2 . VAL A 454 ? 0.6970 0.9659 0.5736 -0.0944 0.1363 -0.2453 482 VAL A CG2 3157 N N . THR A 455 ? 0.9092 1.0603 0.6792 -0.0541 0.1554 -0.1804 483 THR A N 3158 C CA . THR A 455 ? 1.0353 1.1194 0.7336 -0.0456 0.1764 -0.1549 483 THR A CA 3159 C C . THR A 455 ? 1.0842 1.1601 0.7171 -0.0501 0.1733 -0.1490 483 THR A C 3160 O O . THR A 455 ? 1.1570 1.2840 0.8028 -0.0401 0.1509 -0.1616 483 THR A O 3161 C CB . THR A 455 ? 1.1612 1.2466 0.8755 -0.0036 0.1761 -0.1385 483 THR A CB 3162 O OG1 . THR A 455 ? 1.2391 1.3853 0.9694 0.0167 0.1444 -0.1446 483 THR A OG1 3163 C CG2 . THR A 455 ? 1.1924 1.3042 0.9869 0.0060 0.1779 -0.1406 483 THR A CG2 3164 N N . ILE A 456 ? 1.0812 1.0845 0.6364 -0.0657 0.1973 -0.1292 484 ILE A N 3165 C CA . ILE A 456 ? 1.1777 1.1598 0.6655 -0.0587 0.2007 -0.1152 484 ILE A CA 3166 C C . ILE A 456 ? 1.3699 1.3247 0.8331 -0.0123 0.2059 -0.0981 484 ILE A C 3167 O O . ILE A 456 ? 1.4786 1.3903 0.9413 0.0043 0.2239 -0.0858 484 ILE A O 3168 C CB . ILE A 456 ? 1.1752 1.0914 0.5889 -0.1020 0.2235 -0.0993 484 ILE A CB 3169 C CG1 . ILE A 456 ? 1.2157 1.1866 0.6607 -0.1413 0.2150 -0.1067 484 ILE A CG1 3170 C CG2 . ILE A 456 ? 1.1671 1.0478 0.5071 -0.0920 0.2338 -0.0806 484 ILE A CG2 3171 C CD1 . ILE A 456 ? 1.3364 1.2583 0.7190 -0.1927 0.2314 -0.0863 484 ILE A CD1 3172 N N . TRP A 457 ? 1.4524 1.4328 0.8919 0.0128 0.1925 -0.0936 485 TRP A N 3173 C CA . TRP A 457 ? 1.5308 1.5178 0.9605 0.0633 0.1868 -0.0761 485 TRP A CA 3174 C C . TRP A 457 ? 1.6130 1.5709 0.9611 0.0748 0.1938 -0.0611 485 TRP A C 3175 O O . TRP A 457 ? 1.7114 1.6856 1.0420 0.0515 0.1880 -0.0720 485 TRP A O 3176 C CB . TRP A 457 ? 1.5630 1.6487 1.0774 0.0833 0.1448 -0.0939 485 TRP A CB 3177 C CG . TRP A 457 ? 1.6442 1.7693 1.1567 0.1303 0.1233 -0.0768 485 TRP A CG 3178 C CD1 . TRP A 457 ? 1.6486 1.8093 1.1313 0.1437 0.0950 -0.0829 485 TRP A CD1 3179 C CD2 . TRP A 457 ? 1.7253 1.8678 1.2709 0.1718 0.1262 -0.0480 485 TRP A CD2 3180 N NE1 . TRP A 457 ? 1.7465 1.9466 1.2381 0.1875 0.0758 -0.0601 485 TRP A NE1 3181 C CE2 . TRP A 457 ? 1.8046 2.0011 1.3413 0.2067 0.0951 -0.0358 485 TRP A CE2 3182 C CE3 . TRP A 457 ? 1.6671 1.7840 1.2451 0.1864 0.1548 -0.0272 485 TRP A CE3 3183 C CZ2 . TRP A 457 ? 1.8165 2.0561 1.3868 0.2548 0.0894 0.0001 485 TRP A CZ2 3184 C CZ3 . TRP A 457 ? 1.6539 1.8077 1.2643 0.2380 0.1553 0.0090 485 TRP A CZ3 3185 C CH2 . TRP A 457 ? 1.7076 1.9285 1.3191 0.2712 0.1217 0.0241 485 TRP A CH2 3186 N N . GLY A 458 ? 1.6283 1.5395 0.9246 0.1139 0.2122 -0.0318 486 GLY A N 3187 C CA . GLY A 458 ? 1.5377 1.4278 0.7606 0.1381 0.2173 -0.0140 486 GLY A CA 3188 C C . GLY A 458 ? 1.5152 1.3286 0.6563 0.1013 0.2481 -0.0061 486 GLY A C 3189 O O . GLY A 458 ? 1.3731 1.1597 0.5172 0.0495 0.2599 -0.0157 486 GLY A O 3190 N N . PRO A 459 ? 1.6963 1.4798 0.7649 0.1261 0.2598 0.0144 487 PRO A N 3191 C CA . PRO A 459 ? 1.8548 1.5603 0.8434 0.0899 0.2934 0.0287 487 PRO A CA 3192 C C . PRO A 459 ? 1.9293 1.6779 0.9525 0.0340 0.2843 0.0106 487 PRO A C 3193 O O . PRO A 459 ? 1.8322 1.5353 0.8427 -0.0197 0.3022 0.0164 487 PRO A O 3194 C CB . PRO A 459 ? 1.8827 1.5815 0.8084 0.1352 0.2978 0.0495 487 PRO A CB 3195 C CG . PRO A 459 ? 1.9260 1.6615 0.8754 0.1984 0.2790 0.0579 487 PRO A CG 3196 C CD . PRO A 459 ? 1.8335 1.6534 0.8888 0.1873 0.2427 0.0290 487 PRO A CD 3197 N N . GLU A 460 ? 1.9156 1.3957 1.2708 0.0489 0.1282 -0.3492 488 GLU A N 3198 C CA . GLU A 460 ? 1.9548 1.4763 1.3454 0.0210 0.1595 -0.3580 488 GLU A CA 3199 C C . GLU A 460 ? 1.8575 1.4629 1.3514 0.0188 0.1632 -0.3677 488 GLU A C 3200 O O . GLU A 460 ? 1.8477 1.4890 1.3788 -0.0035 0.1877 -0.3728 488 GLU A O 3201 C CB . GLU A 460 ? 2.0457 1.5739 1.4220 0.0255 0.1548 -0.3649 488 GLU A CB 3202 C CG . GLU A 460 ? 2.2182 1.6691 1.4928 0.0169 0.1607 -0.3557 488 GLU A CG 3203 C CD . GLU A 460 ? 2.3079 1.7032 1.5225 0.0473 0.1231 -0.3453 488 GLU A CD 3204 O OE1 . GLU A 460 ? 2.2502 1.6656 1.5020 0.0727 0.0963 -0.3448 488 GLU A OE1 3205 O OE2 . GLU A 460 ? 2.4274 1.7607 1.5592 0.0466 0.1190 -0.3376 488 GLU A OE2 3206 N N . GLY A 461 ? 1.8046 1.4392 1.3433 0.0404 0.1391 -0.3692 489 GLY A N 3207 C CA . GLY A 461 ? 1.6814 1.3876 1.3109 0.0377 0.1392 -0.3729 489 GLY A CA 3208 C C . GLY A 461 ? 1.4910 1.2462 1.1690 0.0423 0.1311 -0.3786 489 GLY A C 3209 O O . GLY A 461 ? 1.3655 1.1753 1.1138 0.0338 0.1347 -0.3787 489 GLY A O 3210 N N . ARG A 462 ? 1.5268 1.2606 1.1668 0.0555 0.1182 -0.3830 490 ARG A N 3211 C CA . ARG A 462 ? 1.4731 1.2476 1.1558 0.0605 0.1074 -0.3867 490 ARG A CA 3212 C C . ARG A 462 ? 1.3320 1.1503 1.0741 0.0743 0.0805 -0.3825 490 ARG A C 3213 O O . ARG A 462 ? 1.2926 1.1047 1.0316 0.0855 0.0667 -0.3783 490 ARG A O 3214 C CB . ARG A 462 ? 1.4641 1.1993 1.0835 0.0681 0.1025 -0.3927 490 ARG A CB 3215 N N . TRP A 463 ? 1.1789 1.0435 0.9761 0.0732 0.0720 -0.3842 491 TRP A N 3216 C CA . TRP A 463 ? 0.9399 0.8543 0.8027 0.0778 0.0521 -0.3805 491 TRP A CA 3217 C C . TRP A 463 ? 0.9734 0.8999 0.8406 0.0922 0.0252 -0.3827 491 TRP A C 3218 O O . TRP A 463 ? 1.0646 0.9746 0.9037 0.0954 0.0228 -0.3877 491 TRP A O 3219 C CB . TRP A 463 ? 0.9044 0.8605 0.8270 0.0645 0.0597 -0.3821 491 TRP A CB 3220 C CG . TRP A 463 ? 0.9189 0.8737 0.8473 0.0497 0.0836 -0.3817 491 TRP A CG 3221 C CD1 . TRP A 463 ? 0.9640 0.8850 0.8524 0.0453 0.0986 -0.3787 491 TRP A CD1 3222 C CD2 . TRP A 463 ? 0.8043 0.7921 0.7800 0.0369 0.0947 -0.3865 491 TRP A CD2 3223 N NE1 . TRP A 463 ? 0.9491 0.8839 0.8599 0.0278 0.1197 -0.3808 491 TRP A NE1 3224 C CE2 . TRP A 463 ? 0.8327 0.8109 0.7993 0.0233 0.1171 -0.3864 491 TRP A CE2 3225 C CE3 . TRP A 463 ? 0.6920 0.7158 0.7171 0.0362 0.0859 -0.3925 491 TRP A CE3 3226 C CZ2 . TRP A 463 ? 0.7574 0.7673 0.7678 0.0089 0.1308 -0.3932 491 TRP A CZ2 3227 C CZ3 . TRP A 463 ? 0.7325 0.7834 0.7980 0.0248 0.0978 -0.3994 491 TRP A CZ3 3228 C CH2 . TRP A 463 ? 0.8108 0.8579 0.8713 0.0112 0.1200 -0.4004 491 TRP A CH2 3229 N N . ASN A 464 ? 0.9401 0.8974 0.8431 0.0997 0.0053 -0.3802 492 ASN A N 3230 C CA . ASN A 464 ? 0.9939 0.9725 0.9106 0.1112 -0.0212 -0.3840 492 ASN A CA 3231 C C . ASN A 464 ? 1.0177 1.0465 0.9984 0.1036 -0.0315 -0.3845 492 ASN A C 3232 O O . ASN A 464 ? 0.9549 1.0005 0.9631 0.0965 -0.0253 -0.3806 492 ASN A O 3233 C CB . ASN A 464 ? 0.9779 0.9427 0.8660 0.1307 -0.0394 -0.3845 492 ASN A CB 3234 C CG . ASN A 464 ? 1.0002 0.9908 0.9033 0.1423 -0.0672 -0.3913 492 ASN A CG 3235 O OD1 . ASN A 464 ? 0.8838 0.8787 0.7893 0.1382 -0.0714 -0.3952 492 ASN A OD1 3236 N ND2 . ASN A 464 ? 0.9220 0.9326 0.8383 0.1566 -0.0863 -0.3946 492 ASN A ND2 3237 N N . ASP A 465 ? 0.9547 1.0039 0.9550 0.1038 -0.0476 -0.3899 493 ASP A N 3238 C CA . ASP A 465 ? 0.9468 1.0372 0.9974 0.0962 -0.0605 -0.3919 493 ASP A CA 3239 C C . ASP A 465 ? 0.9261 1.0382 0.9829 0.1065 -0.0800 -0.3970 493 ASP A C 3240 O O . ASP A 465 ? 1.1121 1.2129 1.1413 0.1211 -0.0926 -0.4015 493 ASP A O 3241 C CB . ASP A 465 ? 0.8326 0.9317 0.9025 0.0881 -0.0674 -0.3959 493 ASP A CB 3242 C CG . ASP A 465 ? 0.8256 0.9129 0.8702 0.0969 -0.0802 -0.4017 493 ASP A CG 3243 O OD1 . ASP A 465 ? 0.8172 0.8882 0.8269 0.1103 -0.0850 -0.4029 493 ASP A OD1 3244 O OD2 . ASP A 465 ? 0.8041 0.8955 0.8618 0.0910 -0.0870 -0.4053 493 ASP A OD2 3245 N N . SER A 466 ? 0.9530 1.0974 1.0459 0.0990 -0.0825 -0.3977 494 SER A N 3246 C CA . SER A 466 ? 0.9767 1.1482 1.0815 0.1080 -0.0958 -0.4046 494 SER A CA 3247 C C . SER A 466 ? 0.9931 1.2077 1.1432 0.0905 -0.1012 -0.4090 494 SER A C 3248 O O . SER A 466 ? 1.0126 1.2282 1.1802 0.0730 -0.0924 -0.4031 494 SER A O 3249 C CB . SER A 466 ? 0.8256 0.9840 0.9155 0.1182 -0.0865 -0.4007 494 SER A CB 3250 O OG . SER A 466 ? 0.9010 1.0116 0.9404 0.1313 -0.0806 -0.3954 494 SER A OG 3251 N N . PRO A 467 ? 0.9929 1.2429 1.1609 0.0942 -0.1158 -0.4195 495 PRO A N 3252 C CA . PRO A 467 ? 0.9423 1.2334 1.1486 0.0742 -0.1162 -0.4224 495 PRO A CA 3253 C C . PRO A 467 ? 0.8160 1.1103 1.0317 0.0681 -0.1016 -0.4184 495 PRO A C 3254 O O . PRO A 467 ? 0.7294 1.0121 0.9305 0.0848 -0.0967 -0.4192 495 PRO A O 3255 C CB . PRO A 467 ? 0.9138 1.2436 1.1350 0.0843 -0.1313 -0.4367 495 PRO A CB 3256 C CG . PRO A 467 ? 0.9287 1.2344 1.1200 0.1057 -0.1445 -0.4401 495 PRO A CG 3257 C CD . PRO A 467 ? 0.9544 1.2091 1.1076 0.1164 -0.1325 -0.4295 495 PRO A CD 3258 N N . CYS A 468 ? 0.8164 1.1202 1.0513 0.0442 -0.0951 -0.4117 496 CYS A N 3259 C CA . CYS A 468 ? 0.7303 1.0316 0.9709 0.0366 -0.0814 -0.4064 496 CYS A CA 3260 C C . CYS A 468 ? 0.7651 1.1039 1.0242 0.0356 -0.0793 -0.4155 496 CYS A C 3261 O O . CYS A 468 ? 0.7549 1.0904 1.0145 0.0344 -0.0682 -0.4135 496 CYS A O 3262 C CB . CYS A 468 ? 0.7726 1.0629 1.0205 0.0136 -0.0775 -0.3944 496 CYS A CB 3263 S SG . CYS A 468 ? 1.2518 1.5028 1.4848 0.0164 -0.0806 -0.3877 496 CYS A SG 3264 N N . ASN A 469 ? 0.8022 1.1777 1.0772 0.0370 -0.0887 -0.4267 497 ASN A N 3265 C CA . ASN A 469 ? 0.7658 1.1817 1.0618 0.0383 -0.0851 -0.4390 497 ASN A CA 3266 C C . ASN A 469 ? 0.7270 1.1382 1.0120 0.0710 -0.0906 -0.4506 497 ASN A C 3267 O O . ASN A 469 ? 0.7377 1.1829 1.0408 0.0790 -0.0906 -0.4647 497 ASN A O 3268 C CB . ASN A 469 ? 0.9007 1.3623 1.2216 0.0237 -0.0878 -0.4464 497 ASN A CB 3269 C CG . ASN A 469 ? 1.2452 1.7155 1.5664 0.0372 -0.1042 -0.4545 497 ASN A CG 3270 O OD1 . ASN A 469 ? 1.3245 1.7628 1.6237 0.0554 -0.1146 -0.4526 497 ASN A OD1 3271 N ND2 . ASN A 469 ? 1.5015 2.0135 1.8447 0.0259 -0.1045 -0.4634 497 ASN A ND2 3272 N N . GLN A 470 ? 0.7333 1.0980 0.9849 0.0901 -0.0936 -0.4424 498 GLN A N 3273 C CA . GLN A 470 ? 0.7747 1.1172 1.0024 0.1208 -0.0982 -0.4441 498 GLN A CA 3274 C C . GLN A 470 ? 0.6596 0.9792 0.8767 0.1207 -0.0820 -0.4337 498 GLN A C 3275 O O . GLN A 470 ? 0.7322 1.0295 0.9433 0.1031 -0.0673 -0.4203 498 GLN A O 3276 C CB . GLN A 470 ? 1.0123 1.3063 1.1992 0.1362 -0.1048 -0.4351 498 GLN A CB 3277 C CG . GLN A 470 ? 1.2389 1.4991 1.3902 0.1666 -0.1124 -0.4342 498 GLN A CG 3278 C CD . GLN A 470 ? 1.4083 1.6273 1.5177 0.1808 -0.1228 -0.4301 498 GLN A CD 3279 O OE1 . GLN A 470 ? 1.4404 1.6630 1.5529 0.1691 -0.1252 -0.4298 498 GLN A OE1 3280 N NE2 . GLN A 470 ? 1.5165 1.6917 1.5819 0.2058 -0.1300 -0.4270 498 GLN A NE2 3281 N N . SER A 471 ? 0.7163 1.0392 0.9302 0.1417 -0.0866 -0.4399 499 SER A N 3282 C CA . SER A 471 ? 0.8067 1.1154 1.0153 0.1401 -0.0729 -0.4325 499 SER A CA 3283 C C . SER A 471 ? 0.9506 1.1920 1.1082 0.1569 -0.0696 -0.4176 499 SER A C 3284 O O . SER A 471 ? 1.1275 1.3487 1.2614 0.1843 -0.0835 -0.4219 499 SER A O 3285 C CB . SER A 471 ? 0.6695 1.0242 0.9072 0.1511 -0.0794 -0.4502 499 SER A CB 3286 O OG . SER A 471 ? 0.8715 1.2060 1.0988 0.1515 -0.0675 -0.4425 499 SER A OG 3287 N N . LEU A 472 ? 0.8069 1.0134 0.9469 0.1397 -0.0516 -0.4021 500 LEU A N 3288 C CA . LEU A 472 ? 0.7817 0.9236 0.8709 0.1481 -0.0438 -0.3898 500 LEU A CA 3289 C C . LEU A 472 ? 0.7612 0.8834 0.8459 0.1309 -0.0232 -0.3799 500 LEU A C 3290 O O . LEU A 472 ? 0.6977 0.8548 0.8180 0.1119 -0.0165 -0.3806 500 LEU A O 3291 C CB . LEU A 472 ? 0.7010 0.8191 0.7694 0.1429 -0.0425 -0.3843 500 LEU A CB 3292 C CG . LEU A 472 ? 0.6747 0.8082 0.7439 0.1571 -0.0628 -0.3936 500 LEU A CG 3293 C CD1 . LEU A 472 ? 0.5994 0.7187 0.6588 0.1444 -0.0575 -0.3882 500 LEU A CD1 3294 C CD2 . LEU A 472 ? 0.7931 0.8876 0.8181 0.1863 -0.0767 -0.3960 500 LEU A CD2 3295 N N . PRO A 473 ? 0.8879 0.9532 0.9274 0.1346 -0.0127 -0.3718 501 PRO A N 3296 C CA . PRO A 473 ? 0.9444 0.9914 0.9801 0.1156 0.0075 -0.3640 501 PRO A CA 3297 C C . PRO A 473 ? 0.8756 0.9272 0.9231 0.0936 0.0190 -0.3585 501 PRO A C 3298 O O . PRO A 473 ? 0.9300 0.9971 0.9877 0.0932 0.0117 -0.3604 501 PRO A O 3299 C CB . PRO A 473 ? 1.0243 1.0055 1.0020 0.1284 0.0129 -0.3612 501 PRO A CB 3300 C CG . PRO A 473 ? 1.0156 0.9915 0.9779 0.1586 -0.0093 -0.3684 501 PRO A CG 3301 C CD . PRO A 473 ? 0.8948 0.9126 0.8854 0.1608 -0.0229 -0.3734 501 PRO A CD 3302 N N . SER A 474 ? 0.8891 0.9285 0.9371 0.0759 0.0359 -0.3532 502 SER A N 3303 C CA . SER A 474 ? 0.8610 0.9115 0.9282 0.0567 0.0450 -0.3505 502 SER A CA 3304 C C . SER A 474 ? 0.8819 0.9067 0.9357 0.0419 0.0645 -0.3470 502 SER A C 3305 O O . SER A 474 ? 0.8665 0.8640 0.8961 0.0445 0.0709 -0.3461 502 SER A O 3306 C CB . SER A 474 ? 0.8229 0.9237 0.9406 0.0447 0.0368 -0.3528 502 SER A CB 3307 O OG . SER A 474 ? 0.8910 1.0041 1.0236 0.0367 0.0404 -0.3528 502 SER A OG 3308 N N . ILE A 475 ? 0.7550 0.7909 0.8276 0.0262 0.0731 -0.3470 503 ILE A N 3309 C CA . ILE A 475 ? 0.8053 0.8282 0.8754 0.0092 0.0918 -0.3469 503 ILE A CA 3310 C C . ILE A 475 ? 0.8407 0.9052 0.9627 -0.0060 0.0902 -0.3498 503 ILE A C 3311 O O . ILE A 475 ? 0.7533 0.8419 0.9000 -0.0045 0.0798 -0.3522 503 ILE A O 3312 C CB . ILE A 475 ? 0.9068 0.8943 0.9389 0.0062 0.1072 -0.3486 503 ILE A CB 3313 C CG1 . ILE A 475 ? 1.0826 1.0176 1.0537 0.0216 0.1072 -0.3473 503 ILE A CG1 3314 C CG2 . ILE A 475 ? 0.8013 0.7845 0.8381 -0.0157 0.1285 -0.3515 503 ILE A CG2 3315 C CD1 . ILE A 475 ? 1.1953 1.0905 1.1193 0.0188 0.1204 -0.3498 503 ILE A CD1 3316 N N . CYS A 476 ? 0.8145 0.8841 0.9508 -0.0200 0.0988 -0.3511 504 CYS A N 3317 C CA . CYS A 476 ? 0.8318 0.9372 1.0148 -0.0326 0.0947 -0.3562 504 CYS A CA 3318 C C . CYS A 476 ? 0.8899 0.9950 1.0816 -0.0476 0.1120 -0.3631 504 CYS A C 3319 O O . CYS A 476 ? 1.0191 1.0947 1.1792 -0.0538 0.1297 -0.3627 504 CYS A O 3320 C CB . CYS A 476 ? 0.7525 0.8725 0.9526 -0.0384 0.0883 -0.3556 504 CYS A CB 3321 S SG . CYS A 476 ? 1.0324 1.1598 1.2269 -0.0275 0.0738 -0.3519 504 CYS A SG 3322 N N . LYS A 477 ? 0.7949 0.9331 1.0302 -0.0539 0.1062 -0.3714 505 LYS A N 3323 C CA . LYS A 477 ? 0.9780 1.1302 1.2367 -0.0688 0.1200 -0.3828 505 LYS A CA 3324 C C . LYS A 477 ? 0.9839 1.1701 1.2897 -0.0725 0.1054 -0.3905 505 LYS A C 3325 O O . LYS A 477 ? 0.9360 1.1350 1.2577 -0.0631 0.0846 -0.3884 505 LYS A O 3326 C CB . LYS A 477 ? 1.0927 1.2501 1.3553 -0.0699 0.1304 -0.3914 505 LYS A CB 3327 C CG . LYS A 477 ? 1.1417 1.2597 1.3515 -0.0720 0.1505 -0.3868 505 LYS A CG 3328 C CD . LYS A 477 ? 1.2025 1.3273 1.4151 -0.0777 0.1649 -0.3975 505 LYS A CD 3329 C CE . LYS A 477 ? 1.2049 1.3527 1.4462 -0.0992 0.1849 -0.4140 505 LYS A CE 3330 N NZ . LYS A 477 ? 1.1733 1.2893 1.3779 -0.1176 0.2082 -0.4123 505 LYS A NZ 3331 N N . LYS A 478 ? 0.8831 1.0807 1.2074 -0.0867 0.1159 -0.3998 506 LYS A N 3332 C CA . LYS A 478 ? 0.7577 0.9881 1.1282 -0.0892 0.1028 -0.4107 506 LYS A CA 3333 C C . LYS A 478 ? 0.7293 0.9864 1.1342 -0.1005 0.1173 -0.4309 506 LYS A C 3334 O O . LYS A 478 ? 0.7314 0.9794 1.1225 -0.1168 0.1415 -0.4355 506 LYS A O 3335 C CB . LYS A 478 ? 0.8831 1.1075 1.2470 -0.0948 0.0970 -0.4037 506 LYS A CB # 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 ARG 1 29 ? ? ? A . n A 1 2 SER 2 30 ? ? ? A . n A 1 3 GLY 3 31 ? ? ? A . n A 1 4 ALA 4 32 ? ? ? A . n A 1 5 PRO 5 33 ? ? ? A . n A 1 6 GLY 6 34 ? ? ? A . n A 1 7 ASP 7 35 ? ? ? A . n A 1 8 ALA 8 36 ? ? ? A . n A 1 9 ALA 9 37 37 ALA ALA A . n A 1 10 LEU 10 38 38 LEU LEU A . n A 1 11 PRO 11 39 39 PRO PRO A . n A 1 12 GLU 12 40 40 GLU GLU A . n A 1 13 PRO 13 41 41 PRO PRO A . n A 1 14 ASN 14 42 42 ASN ASN A . n A 1 15 ILE 15 43 43 ILE ILE A . n A 1 16 PHE 16 44 44 PHE PHE A . n A 1 17 LEU 17 45 45 LEU LEU A . n A 1 18 ILE 18 46 46 ILE ILE A . n A 1 19 PHE 19 47 47 PHE PHE A . n A 1 20 SER 20 48 48 SER SER A . n A 1 21 HIS 21 49 49 HIS HIS A . n A 1 22 GLY 22 50 50 GLY GLY A . n A 1 23 LEU 23 51 51 LEU LEU A . n A 1 24 GLN 24 52 52 GLN GLN A . n A 1 25 GLY 25 53 53 GLY GLY A . n A 1 26 CYS 26 54 54 CYS CYS A . n A 1 27 LEU 27 55 55 LEU LEU A . n A 1 28 GLU 28 56 56 GLU GLU A . n A 1 29 ALA 29 57 57 ALA ALA A . n A 1 30 GLN 30 58 58 GLN GLN A . n A 1 31 GLY 31 59 59 GLY GLY A . n A 1 32 GLY 32 60 60 GLY GLY A . n A 1 33 GLN 33 61 61 GLN GLN A . n A 1 34 VAL 34 62 62 VAL VAL A . n A 1 35 ARG 35 63 63 ARG ARG A . n A 1 36 VAL 36 64 64 VAL VAL A . n A 1 37 THR 37 65 65 THR THR A . n A 1 38 PRO 38 66 66 PRO PRO A . n A 1 39 ALA 39 67 67 ALA ALA A . n A 1 40 CYS 40 68 68 CYS CYS A . n A 1 41 ASN 41 69 69 ASN ASN A . n A 1 42 THR 42 70 70 THR THR A . n A 1 43 SER 43 71 71 SER SER A . n A 1 44 LEU 44 72 72 LEU LEU A . n A 1 45 PRO 45 73 73 PRO PRO A . n A 1 46 ALA 46 74 74 ALA ALA A . n A 1 47 GLN 47 75 75 GLN GLN A . n A 1 48 ARG 48 76 76 ARG ARG A . n A 1 49 TRP 49 77 77 TRP TRP A . n A 1 50 LYS 50 78 78 LYS LYS A . n A 1 51 TRP 51 79 79 TRP TRP A . n A 1 52 VAL 52 80 80 VAL VAL A . n A 1 53 SER 53 81 81 SER SER A . n A 1 54 ARG 54 82 82 ARG ARG A . n A 1 55 ASN 55 83 83 ASN ASN A . n A 1 56 ARG 56 84 84 ARG ARG A . n A 1 57 LEU 57 85 85 LEU LEU A . n A 1 58 PHE 58 86 86 PHE PHE A . n A 1 59 ASN 59 87 87 ASN ASN A . n A 1 60 LEU 60 88 88 LEU LEU A . n A 1 61 GLY 61 89 89 GLY GLY A . n A 1 62 THR 62 90 90 THR THR A . n A 1 63 MET 63 91 91 MET MET A . n A 1 64 GLN 64 92 92 GLN GLN A . n A 1 65 CYS 65 93 93 CYS CYS A . n A 1 66 LEU 66 94 94 LEU LEU A . n A 1 67 GLY 67 95 95 GLY GLY A . n A 1 68 THR 68 96 96 THR THR A . n A 1 69 GLY 69 97 ? ? ? A . n A 1 70 TRP 70 98 ? ? ? A . n A 1 71 PRO 71 99 ? ? ? A . n A 1 72 GLY 72 100 ? ? ? A . n A 1 73 THR 73 101 ? ? ? A . n A 1 74 ASN 74 102 ? ? ? A . n A 1 75 THR 75 103 ? ? ? A . n A 1 76 THR 76 104 ? ? ? A . n A 1 77 ALA 77 105 105 ALA ALA A . n A 1 78 SER 78 106 106 SER SER A . n A 1 79 LEU 79 107 107 LEU LEU A . n A 1 80 GLY 80 108 108 GLY GLY A . n A 1 81 MET 81 109 109 MET MET A . n A 1 82 TYR 82 110 110 TYR TYR A . n A 1 83 GLU 83 111 111 GLU GLU A . n A 1 84 CYS 84 112 112 CYS CYS A . n A 1 85 ASP 85 113 113 ASP ASP A . n A 1 86 ARG 86 114 114 ARG ARG A . n A 1 87 GLU 87 115 115 GLU GLU A . n A 1 88 ALA 88 116 116 ALA ALA A . n A 1 89 LEU 89 117 117 LEU LEU A . n A 1 90 ASN 90 118 118 ASN ASN A . n A 1 91 LEU 91 119 119 LEU LEU A . n A 1 92 ARG 92 120 120 ARG ARG A . n A 1 93 TRP 93 121 121 TRP TRP A . n A 1 94 HIS 94 122 122 HIS HIS A . n A 1 95 CYS 95 123 123 CYS CYS A . n A 1 96 ARG 96 124 124 ARG ARG A . n A 1 97 THR 97 125 125 THR THR A . n A 1 98 LEU 98 126 126 LEU LEU A . n A 1 99 GLY 99 127 127 GLY GLY A . n A 1 100 ASP 100 128 128 ASP ASP A . n A 1 101 GLN 101 129 129 GLN GLN A . n A 1 102 LEU 102 130 130 LEU LEU A . n A 1 103 SER 103 131 131 SER SER A . n A 1 104 LEU 104 132 132 LEU LEU A . n A 1 105 LEU 105 133 133 LEU LEU A . n A 1 106 LEU 106 134 134 LEU LEU A . n A 1 107 GLY 107 135 ? ? ? A . n A 1 108 ALA 108 136 ? ? ? A . n A 1 109 ARG 109 137 ? ? ? A . n A 1 110 THR 110 138 ? ? ? A . n A 1 111 SER 111 139 ? ? ? A . n A 1 112 ASN 112 140 ? ? ? A . n A 1 113 ILE 113 141 ? ? ? A . n A 1 114 SER 114 142 ? ? ? A . n A 1 115 LYS 115 143 ? ? ? A . n A 1 116 PRO 116 144 ? ? ? A . n A 1 117 GLY 117 145 ? ? ? A . n A 1 118 THR 118 146 ? ? ? A . n A 1 119 LEU 119 147 ? ? ? A . n A 1 120 GLU 120 148 ? ? ? A . n A 1 121 ARG 121 149 ? ? ? A . n A 1 122 GLY 122 150 ? ? ? A . n A 1 123 ASP 123 151 ? ? ? A . n A 1 124 GLN 124 152 ? ? ? A . n A 1 125 THR 125 153 ? ? ? A . n A 1 126 ARG 126 154 ? ? ? A . n A 1 127 SER 127 155 ? ? ? A . n A 1 128 GLY 128 156 ? ? ? A . n A 1 129 GLN 129 157 157 GLN GLN A . n A 1 130 TRP 130 158 158 TRP TRP A . n A 1 131 ARG 131 159 159 ARG ARG A . n A 1 132 ILE 132 160 160 ILE ILE A . n A 1 133 TYR 133 161 161 TYR TYR A . n A 1 134 GLY 134 162 162 GLY GLY A . n A 1 135 SER 135 163 163 SER SER A . n A 1 136 GLU 136 164 164 GLU GLU A . n A 1 137 GLU 137 165 165 GLU GLU A . n A 1 138 ASP 138 166 166 ASP ASP A . n A 1 139 LEU 139 167 167 LEU LEU A . n A 1 140 CYS 140 168 168 CYS CYS A . n A 1 141 ALA 141 169 169 ALA ALA A . n A 1 142 LEU 142 170 170 LEU LEU A . n A 1 143 PRO 143 171 171 PRO PRO A . n A 1 144 TYR 144 172 172 TYR TYR A . n A 1 145 HIS 145 173 173 HIS HIS A . n A 1 146 GLU 146 174 174 GLU GLU A . n A 1 147 VAL 147 175 175 VAL VAL A . n A 1 148 TYR 148 176 176 TYR TYR A . n A 1 149 THR 149 177 177 THR THR A . n A 1 150 ILE 150 178 178 ILE ILE A . n A 1 151 GLN 151 179 179 GLN GLN A . n A 1 152 GLY 152 180 180 GLY GLY A . n A 1 153 ASN 153 181 181 ASN ASN A . n A 1 154 SER 154 182 182 SER SER A . n A 1 155 HIS 155 183 183 HIS HIS A . n A 1 156 GLY 156 184 184 GLY GLY A . n A 1 157 LYS 157 185 185 LYS LYS A . n A 1 158 PRO 158 186 186 PRO PRO A . n A 1 159 CYS 159 187 187 CYS CYS A . n A 1 160 THR 160 188 188 THR THR A . n A 1 161 ILE 161 189 189 ILE ILE A . n A 1 162 PRO 162 190 190 PRO PRO A . n A 1 163 PHE 163 191 191 PHE PHE A . n A 1 164 LYS 164 192 192 LYS LYS A . n A 1 165 TYR 165 193 193 TYR TYR A . n A 1 166 ASP 166 194 194 ASP ASP A . n A 1 167 ASN 167 195 195 ASN ASN A . n A 1 168 GLN 168 196 196 GLN GLN A . n A 1 169 TRP 169 197 197 TRP TRP A . n A 1 170 PHE 170 198 198 PHE PHE A . n A 1 171 HIS 171 199 199 HIS HIS A . n A 1 172 GLY 172 200 200 GLY GLY A . n A 1 173 CYS 173 201 201 CYS CYS A . n A 1 174 THR 174 202 202 THR THR A . n A 1 175 SER 175 203 203 SER SER A . n A 1 176 THR 176 204 204 THR THR A . n A 1 177 GLY 177 205 205 GLY GLY A . n A 1 178 ARG 178 206 206 ARG ARG A . n A 1 179 GLU 179 207 207 GLU GLU A . n A 1 180 ASP 180 208 208 ASP ASP A . n A 1 181 GLY 181 209 209 GLY GLY A . n A 1 182 HIS 182 210 210 HIS HIS A . n A 1 183 LEU 183 211 211 LEU LEU A . n A 1 184 TRP 184 212 212 TRP TRP A . n A 1 185 CYS 185 213 213 CYS CYS A . n A 1 186 ALA 186 214 214 ALA ALA A . n A 1 187 THR 187 215 215 THR THR A . n A 1 188 THR 188 216 216 THR THR A . n A 1 189 GLN 189 217 217 GLN GLN A . n A 1 190 ASP 190 218 218 ASP ASP A . n A 1 191 TYR 191 219 219 TYR TYR A . n A 1 192 GLY 192 220 220 GLY GLY A . n A 1 193 LYS 193 221 221 LYS LYS A . n A 1 194 ASP 194 222 222 ASP ASP A . n A 1 195 GLU 195 223 223 GLU GLU A . n A 1 196 ARG 196 224 224 ARG ARG A . n A 1 197 TRP 197 225 225 TRP TRP A . n A 1 198 GLY 198 226 226 GLY GLY A . n A 1 199 PHE 199 227 227 PHE PHE A . n A 1 200 CYS 200 228 228 CYS CYS A . n A 1 201 PRO 201 229 229 PRO PRO A . n A 1 202 ILE 202 230 230 ILE ILE A . n A 1 203 LYS 203 231 231 LYS LYS A . n A 1 204 SER 204 232 232 SER SER A . n A 1 205 ASN 205 233 233 ASN ASN A . n A 1 206 ASP 206 234 234 ASP ASP A . n A 1 207 CYS 207 235 235 CYS CYS A . n A 1 208 GLU 208 236 236 GLU GLU A . n A 1 209 THR 209 237 237 THR THR A . n A 1 210 PHE 210 238 238 PHE PHE A . n A 1 211 TRP 211 239 239 TRP TRP A . n A 1 212 ASP 212 240 240 ASP ASP A . n A 1 213 LYS 213 241 241 LYS LYS A . n A 1 214 ASP 214 242 242 ASP ASP A . n A 1 215 GLN 215 243 243 GLN GLN A . n A 1 216 LEU 216 244 244 LEU LEU A . n A 1 217 THR 217 245 245 THR THR A . n A 1 218 ASP 218 246 246 ASP ASP A . n A 1 219 SER 219 247 247 SER SER A . n A 1 220 CYS 220 248 248 CYS CYS A . n A 1 221 TYR 221 249 249 TYR TYR A . n A 1 222 GLN 222 250 250 GLN GLN A . n A 1 223 PHE 223 251 251 PHE PHE A . n A 1 224 ASN 224 252 252 ASN ASN A . n A 1 225 PHE 225 253 253 PHE PHE A . n A 1 226 GLN 226 254 254 GLN GLN A . n A 1 227 SER 227 255 255 SER SER A . n A 1 228 THR 228 256 256 THR THR A . n A 1 229 LEU 229 257 257 LEU LEU A . n A 1 230 SER 230 258 258 SER SER A . n A 1 231 TRP 231 259 259 TRP TRP A . n A 1 232 ARG 232 260 260 ARG ARG A . n A 1 233 GLU 233 261 261 GLU GLU A . n A 1 234 ALA 234 262 262 ALA ALA A . n A 1 235 TRP 235 263 263 TRP TRP A . n A 1 236 ALA 236 264 264 ALA ALA A . n A 1 237 SER 237 265 265 SER SER A . n A 1 238 CYS 238 266 266 CYS CYS A . n A 1 239 GLU 239 267 267 GLU GLU A . n A 1 240 GLN 240 268 268 GLN GLN A . n A 1 241 GLN 241 269 269 GLN GLN A . n A 1 242 GLY 242 270 270 GLY GLY A . n A 1 243 ALA 243 271 271 ALA ALA A . n A 1 244 ASP 244 272 272 ASP ASP A . n A 1 245 LEU 245 273 273 LEU LEU A . n A 1 246 LEU 246 274 274 LEU LEU A . n A 1 247 SER 247 275 275 SER SER A . n A 1 248 ILE 248 276 276 ILE ILE A . n A 1 249 THR 249 277 277 THR THR A . n A 1 250 GLU 250 278 278 GLU GLU A . n A 1 251 ILE 251 279 279 ILE ILE A . n A 1 252 HIS 252 280 280 HIS HIS A . n A 1 253 GLU 253 281 281 GLU GLU A . n A 1 254 GLN 254 282 282 GLN GLN A . n A 1 255 THR 255 283 283 THR THR A . n A 1 256 TYR 256 284 284 TYR TYR A . n A 1 257 ILE 257 285 285 ILE ILE A . n A 1 258 ASN 258 286 286 ASN ASN A . n A 1 259 GLY 259 287 287 GLY GLY A . n A 1 260 LEU 260 288 288 LEU LEU A . n A 1 261 LEU 261 289 289 LEU LEU A . n A 1 262 THR 262 290 290 THR THR A . n A 1 263 GLY 263 291 291 GLY GLY A . n A 1 264 TYR 264 292 292 TYR TYR A . n A 1 265 SER 265 293 293 SER SER A . n A 1 266 SER 266 294 294 SER SER A . n A 1 267 THR 267 295 295 THR THR A . n A 1 268 LEU 268 296 296 LEU LEU A . n A 1 269 TRP 269 297 297 TRP TRP A . n A 1 270 ILE 270 298 298 ILE ILE A . n A 1 271 GLY 271 299 299 GLY GLY A . n A 1 272 LEU 272 300 300 LEU LEU A . n A 1 273 ASN 273 301 301 ASN ASN A . n A 1 274 ASP 274 302 302 ASP ASP A . n A 1 275 LEU 275 303 303 LEU LEU A . n A 1 276 ASP 276 304 304 ASP ASP A . n A 1 277 THR 277 305 305 THR THR A . n A 1 278 SER 278 306 306 SER SER A . n A 1 279 GLY 279 307 307 GLY GLY A . n A 1 280 GLY 280 308 308 GLY GLY A . n A 1 281 TRP 281 309 309 TRP TRP A . n A 1 282 GLN 282 310 310 GLN GLN A . n A 1 283 TRP 283 311 311 TRP TRP A . n A 1 284 SER 284 312 312 SER SER A . n A 1 285 ASP 285 313 313 ASP ASP A . n A 1 286 ASN 286 314 314 ASN ASN A . n A 1 287 SER 287 315 315 SER SER A . n A 1 288 PRO 288 316 316 PRO PRO A . n A 1 289 LEU 289 317 317 LEU LEU A . n A 1 290 LYS 290 318 318 LYS LYS A . n A 1 291 TYR 291 319 319 TYR TYR A . n A 1 292 LEU 292 320 320 LEU LEU A . n A 1 293 ASN 293 321 321 ASN ASN A . n A 1 294 TRP 294 322 322 TRP TRP A . n A 1 295 GLU 295 323 323 GLU GLU A . n A 1 296 SER 296 324 324 SER SER A . n A 1 297 ASP 297 325 325 ASP ASP A . n A 1 298 GLN 298 326 326 GLN GLN A . n A 1 299 PRO 299 327 327 PRO PRO A . n A 1 300 ASP 300 328 328 ASP ASP A . n A 1 301 ASN 301 329 329 ASN ASN A . n A 1 302 PRO 302 330 330 PRO PRO A . n A 1 303 SER 303 331 331 SER SER A . n A 1 304 GLU 304 332 332 GLU GLU A . n A 1 305 GLU 305 333 333 GLU GLU A . n A 1 306 ASN 306 334 334 ASN ASN A . n A 1 307 CYS 307 335 335 CYS CYS A . n A 1 308 GLY 308 336 336 GLY GLY A . n A 1 309 VAL 309 337 337 VAL VAL A . n A 1 310 ILE 310 338 338 ILE ILE A . n A 1 311 ARG 311 339 339 ARG ARG A . n A 1 312 THR 312 340 340 THR THR A . n A 1 313 GLU 313 341 341 GLU GLU A . n A 1 314 SER 314 342 342 SER SER A . n A 1 315 SER 315 343 343 SER SER A . n A 1 316 GLY 316 344 344 GLY GLY A . n A 1 317 GLY 317 345 345 GLY GLY A . n A 1 318 TRP 318 346 346 TRP TRP A . n A 1 319 GLN 319 347 347 GLN GLN A . n A 1 320 ASN 320 348 348 ASN ASN A . n A 1 321 ARG 321 349 349 ARG ARG A . n A 1 322 ASP 322 350 350 ASP ASP A . n A 1 323 CYS 323 351 351 CYS CYS A . n A 1 324 SER 324 352 352 SER SER A . n A 1 325 ILE 325 353 353 ILE ILE A . n A 1 326 ALA 326 354 354 ALA ALA A . n A 1 327 LEU 327 355 355 LEU LEU A . n A 1 328 PRO 328 356 356 PRO PRO A . n A 1 329 TYR 329 357 357 TYR TYR A . n A 1 330 VAL 330 358 358 VAL VAL A . n A 1 331 CYS 331 359 359 CYS CYS A . n A 1 332 LYS 332 360 360 LYS LYS A . n A 1 333 LYS 333 361 361 LYS LYS A . n A 1 334 LYS 334 362 362 LYS LYS A . n A 1 335 PRO 335 363 363 PRO PRO A . n A 1 336 ASN 336 364 ? ? ? A . n A 1 337 ALA 337 365 ? ? ? A . n A 1 338 THR 338 366 ? ? ? A . n A 1 339 ALA 339 367 ? ? ? A . n A 1 340 GLU 340 368 ? ? ? A . n A 1 341 PRO 341 369 ? ? ? A . n A 1 342 THR 342 370 ? ? ? A . n A 1 343 PRO 343 371 ? ? ? A . n A 1 344 PRO 344 372 ? ? ? A . n A 1 345 ASP 345 373 ? ? ? A . n A 1 346 ARG 346 374 ? ? ? A . n A 1 347 TRP 347 375 ? ? ? A . n A 1 348 ALA 348 376 ? ? ? A . n A 1 349 ASN 349 377 ? ? ? A . n A 1 350 VAL 350 378 ? ? ? A . n A 1 351 LYS 351 379 ? ? ? A . n A 1 352 VAL 352 380 380 VAL VAL A . n A 1 353 GLU 353 381 381 GLU GLU A . n A 1 354 CYS 354 382 382 CYS CYS A . n A 1 355 GLU 355 383 383 GLU GLU A . n A 1 356 PRO 356 384 384 PRO PRO A . n A 1 357 SER 357 385 385 SER SER A . n A 1 358 TRP 358 386 386 TRP TRP A . n A 1 359 GLN 359 387 387 GLN GLN A . n A 1 360 PRO 360 388 388 PRO PRO A . n A 1 361 PHE 361 389 389 PHE PHE A . n A 1 362 GLN 362 390 390 GLN GLN A . n A 1 363 GLY 363 391 391 GLY GLY A . n A 1 364 HIS 364 392 392 HIS HIS A . n A 1 365 CYS 365 393 393 CYS CYS A . n A 1 366 TYR 366 394 394 TYR TYR A . n A 1 367 ARG 367 395 395 ARG ARG A . n A 1 368 LEU 368 396 396 LEU LEU A . n A 1 369 GLN 369 397 397 GLN GLN A . n A 1 370 ALA 370 398 398 ALA ALA A . n A 1 371 GLU 371 399 399 GLU GLU A . n A 1 372 LYS 372 400 400 LYS LYS A . n A 1 373 ARG 373 401 401 ARG ARG A . n A 1 374 SER 374 402 402 SER SER A . n A 1 375 TRP 375 403 403 TRP TRP A . n A 1 376 GLN 376 404 404 GLN GLN A . n A 1 377 GLU 377 405 405 GLU GLU A . n A 1 378 SER 378 406 406 SER SER A . n A 1 379 LYS 379 407 407 LYS LYS A . n A 1 380 LYS 380 408 408 LYS LYS A . n A 1 381 ALA 381 409 409 ALA ALA A . n A 1 382 CYS 382 410 410 CYS CYS A . n A 1 383 LEU 383 411 411 LEU LEU A . n A 1 384 ARG 384 412 412 ARG ARG A . n A 1 385 GLY 385 413 413 GLY GLY A . n A 1 386 GLY 386 414 414 GLY GLY A . n A 1 387 GLY 387 415 415 GLY GLY A . n A 1 388 ASP 388 416 416 ASP ASP A . n A 1 389 LEU 389 417 417 LEU LEU A . n A 1 390 VAL 390 418 418 VAL VAL A . n A 1 391 SER 391 419 419 SER SER A . n A 1 392 ILE 392 420 420 ILE ILE A . n A 1 393 HIS 393 421 421 HIS HIS A . n A 1 394 SER 394 422 422 SER SER A . n A 1 395 MET 395 423 423 MET MET A . n A 1 396 ALA 396 424 424 ALA ALA A . n A 1 397 GLU 397 425 425 GLU GLU A . n A 1 398 LEU 398 426 426 LEU LEU A . n A 1 399 GLU 399 427 427 GLU GLU A . n A 1 400 PHE 400 428 428 PHE PHE A . n A 1 401 ILE 401 429 429 ILE ILE A . n A 1 402 THR 402 430 430 THR THR A . n A 1 403 LYS 403 431 431 LYS LYS A . n A 1 404 GLN 404 432 432 GLN GLN A . n A 1 405 ILE 405 433 433 ILE ILE A . n A 1 406 LYS 406 434 434 LYS LYS A . n A 1 407 GLN 407 435 435 GLN GLN A . n A 1 408 GLU 408 436 436 GLU GLU A . n A 1 409 VAL 409 437 437 VAL VAL A . n A 1 410 GLU 410 438 438 GLU GLU A . n A 1 411 GLU 411 439 439 GLU GLU A . n A 1 412 LEU 412 440 440 LEU LEU A . n A 1 413 TRP 413 441 441 TRP TRP A . n A 1 414 ILE 414 442 442 ILE ILE A . n A 1 415 GLY 415 443 443 GLY GLY A . n A 1 416 LEU 416 444 444 LEU LEU A . n A 1 417 ASN 417 445 445 ASN ASN A . n A 1 418 ASP 418 446 446 ASP ASP A . n A 1 419 LEU 419 447 447 LEU LEU A . n A 1 420 LYS 420 448 448 LYS LYS A . n A 1 421 LEU 421 449 449 LEU LEU A . n A 1 422 GLN 422 450 450 GLN GLN A . n A 1 423 MET 423 451 451 MET MET A . n A 1 424 ASN 424 452 452 ASN ASN A . n A 1 425 PHE 425 453 453 PHE PHE A . n A 1 426 GLU 426 454 454 GLU GLU A . n A 1 427 TRP 427 455 455 TRP TRP A . n A 1 428 SER 428 456 456 SER SER A . n A 1 429 ASP 429 457 457 ASP ASP A . n A 1 430 GLY 430 458 458 GLY GLY A . n A 1 431 SER 431 459 459 SER SER A . n A 1 432 LEU 432 460 460 LEU LEU A . n A 1 433 VAL 433 461 461 VAL VAL A . n A 1 434 SER 434 462 462 SER SER A . n A 1 435 PHE 435 463 463 PHE PHE A . n A 1 436 THR 436 464 464 THR THR A . n A 1 437 HIS 437 465 465 HIS HIS A . n A 1 438 TRP 438 466 466 TRP TRP A . n A 1 439 HIS 439 467 467 HIS HIS A . n A 1 440 PRO 440 468 468 PRO PRO A . n A 1 441 PHE 441 469 469 PHE PHE A . n A 1 442 GLU 442 470 470 GLU GLU A . n A 1 443 PRO 443 471 471 PRO PRO A . n A 1 444 ASN 444 472 472 ASN ASN A . n A 1 445 ASN 445 473 473 ASN ASN A . n A 1 446 PHE 446 474 474 PHE PHE A . n A 1 447 ARG 447 475 475 ARG ARG A . n A 1 448 ASP 448 476 476 ASP ASP A . n A 1 449 SER 449 477 477 SER SER A . n A 1 450 LEU 450 478 478 LEU LEU A . n A 1 451 GLU 451 479 479 GLU GLU A . n A 1 452 ASP 452 480 480 ASP ASP A . n A 1 453 CYS 453 481 481 CYS CYS A . n A 1 454 VAL 454 482 482 VAL VAL A . n A 1 455 THR 455 483 483 THR THR A . n A 1 456 ILE 456 484 484 ILE ILE A . n A 1 457 TRP 457 485 485 TRP TRP A . n A 1 458 GLY 458 486 486 GLY GLY A . n A 1 459 PRO 459 487 487 PRO PRO A . n A 1 460 GLU 460 488 488 GLU GLU A . n A 1 461 GLY 461 489 489 GLY GLY A . n A 1 462 ARG 462 490 490 ARG ARG A . n A 1 463 TRP 463 491 491 TRP TRP A . n A 1 464 ASN 464 492 492 ASN ASN A . n A 1 465 ASP 465 493 493 ASP ASP A . n A 1 466 SER 466 494 494 SER SER A . n A 1 467 PRO 467 495 495 PRO PRO A . n A 1 468 CYS 468 496 496 CYS CYS A . n A 1 469 ASN 469 497 497 ASN ASN A . n A 1 470 GLN 470 498 498 GLN GLN A . n A 1 471 SER 471 499 499 SER SER A . n A 1 472 LEU 472 500 500 LEU LEU A . n A 1 473 PRO 473 501 501 PRO PRO A . n A 1 474 SER 474 502 502 SER SER A . n A 1 475 ILE 475 503 503 ILE ILE A . n A 1 476 CYS 476 504 504 CYS CYS A . n A 1 477 LYS 477 505 505 LYS LYS A . n A 1 478 LYS 478 506 506 LYS LYS A . n A 1 479 ALA 479 507 ? ? ? A . n A 1 480 GLY 480 508 ? ? ? A . n A 1 481 GLN 481 509 ? ? ? A . n A 1 482 LEU 482 510 ? ? ? A . n A 1 483 THR 483 511 ? ? ? A . n A 1 484 ARG 484 512 ? ? ? A . n A 1 485 THR 485 513 ? ? ? A . n A 1 486 GLY 486 514 ? ? ? A . n A 1 487 HIS 487 515 ? ? ? A . n A 1 488 HIS 488 516 ? ? ? A . n A 1 489 HIS 489 517 ? ? ? A . n A 1 490 HIS 490 518 ? ? ? A . n A 1 491 HIS 491 519 ? ? ? A . n A 1 492 HIS 492 520 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CA 1 601 601 CA CA A . C 2 CA 1 602 602 CA CA A . D 3 NA 1 603 603 NA NA A . E 4 NAG 1 604 604 NAG NAG A . F 4 NAG 1 605 605 NAG NAG A . G 5 1PE 1 606 606 1PE 1PE A . H 6 PE5 1 607 607 PE5 PE5 A . I 7 HOH 1 701 7 HOH HOH A . I 7 HOH 2 702 3 HOH HOH A . I 7 HOH 3 703 2 HOH HOH A . I 7 HOH 4 704 103 HOH HOH A . I 7 HOH 5 705 1 HOH HOH A . I 7 HOH 6 706 5 HOH HOH A . I 7 HOH 7 707 45 HOH HOH A . I 7 HOH 8 708 72 HOH HOH A . I 7 HOH 9 709 57 HOH HOH A . I 7 HOH 10 710 15 HOH HOH A . I 7 HOH 11 711 102 HOH HOH A . I 7 HOH 12 712 6 HOH HOH A . I 7 HOH 13 713 89 HOH HOH A . I 7 HOH 14 714 14 HOH HOH A . I 7 HOH 15 715 13 HOH HOH A . I 7 HOH 16 716 20 HOH HOH A . I 7 HOH 17 717 10 HOH HOH A . I 7 HOH 18 718 82 HOH HOH A . I 7 HOH 19 719 70 HOH HOH A . I 7 HOH 20 720 21 HOH HOH A . I 7 HOH 21 721 76 HOH HOH A . I 7 HOH 22 722 38 HOH HOH A . I 7 HOH 23 723 29 HOH HOH A . I 7 HOH 24 724 84 HOH HOH A . I 7 HOH 25 725 81 HOH HOH A . I 7 HOH 26 726 31 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,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)' 440 ? 1 MORE -8 ? 1 'SSA (A^2)' 20700 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 72.1 ? 2 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 118.0 ? 3 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 61.0 ? 4 OE1 ? A GLN 298 ? A GLN 326 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 92.9 ? 5 OD1 ? A ASP 300 ? A ASP 328 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 106.3 ? 6 OE1 ? A GLU 305 ? A GLU 333 ? 1_555 NA ? D NA . ? A NA 603 ? 1_555 O ? A ASN 320 ? A ASN 348 ? 1_555 66.4 ? 7 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 49.1 ? 8 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 114.2 ? 9 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 93.9 ? 10 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 153.8 ? 11 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 136.0 ? 12 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 91.8 ? 13 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 77.9 ? 14 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 109.2 ? 15 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 155.7 ? 16 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? A GLU 451 ? A GLU 479 ? 1_555 76.9 ? 17 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 70.5 ? 18 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 112.7 ? 19 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 85.0 ? 20 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 111.3 ? 21 O ? A GLU 451 ? A GLU 479 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 79.5 ? 22 OD1 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 102.6 ? 23 OD2 ? A ASP 418 ? A ASP 446 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 74.3 ? 24 OE1 ? A GLN 422 ? A GLN 450 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 118.1 ? 25 OD1 ? A ASN 445 ? A ASN 473 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 64.6 ? 26 O ? A GLU 451 ? A GLU 479 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 76.6 ? 27 OD1 ? A ASP 452 ? A ASP 480 ? 1_555 CA ? B CA . ? A CA 601 ? 1_555 O ? I HOH . ? A HOH 704 ? 1_555 156.0 ? 28 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 76.4 ? 29 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 137.3 ? 30 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 74.7 ? 31 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 63.7 ? 32 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 138.0 ? 33 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 145.4 ? 34 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 125.4 ? 35 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 140.5 ? 36 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 67.7 ? 37 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? A ASP 465 ? A ASP 493 ? 1_555 77.8 ? 38 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 77.7 ? 39 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 92.2 ? 40 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 72.7 ? 41 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 91.6 ? 42 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 65.9 ? 43 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 137.4 ? 44 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 110.8 ? 45 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 82.7 ? 46 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 91.6 ? 47 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 76.4 ? 48 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 708 ? 1_555 140.5 ? 49 OE1 ? A GLU 442 ? A GLU 470 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 104.5 ? 50 OD1 ? A ASN 444 ? A ASN 472 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 72.5 ? 51 OE1 ? A GLU 451 ? A GLU 479 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 96.1 ? 52 OD1 ? A ASN 464 ? A ASN 492 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 104.2 ? 53 O ? A ASP 465 ? A ASP 493 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 122.1 ? 54 OD1 ? A ASP 465 ? A ASP 493 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 163.3 ? 55 O ? I HOH . ? A HOH 708 ? 1_555 CA ? C CA . ? A CA 602 ? 1_555 O ? I HOH . ? A HOH 726 ? 1_555 45.9 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2016-08-10 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -9.7453 28.7875 -0.4829 0.4552 0.7767 0.5495 -0.2492 0.2041 -0.3317 1.9779 0.1675 2.7637 0.0625 -1.8949 -0.4589 -0.0527 0.5062 0.0076 -0.2363 0.3107 -0.2651 -0.3488 -0.0503 -1.3372 'X-RAY DIFFRACTION' 2 ? refined -16.4977 23.1929 11.8700 0.9363 1.3196 1.1995 -0.6324 0.1280 -0.4164 1.6777 1.9973 0.4195 1.3610 0.5987 0.2165 -0.0165 -0.0977 0.1704 -0.0093 -0.0378 0.2985 -0.0304 -0.0302 0.0629 'X-RAY DIFFRACTION' 3 ? refined -10.8690 30.8409 8.3250 0.7158 1.1136 0.8103 -0.5297 0.3437 -0.3927 0.7949 0.2504 0.3714 0.3175 0.0603 -0.1213 0.1543 -0.0916 0.0715 0.2010 -0.0771 0.2007 -0.0827 0.0157 0.2545 'X-RAY DIFFRACTION' 4 ? refined -8.2370 34.9726 17.7990 1.3336 1.6418 0.9673 -0.6823 0.3003 -0.6021 2.2164 4.1573 6.1523 1.0799 2.8749 3.4337 0.2250 -0.3783 0.0110 0.2621 -0.1624 0.1008 0.6471 -0.4133 0.0752 'X-RAY DIFFRACTION' 5 ? refined -0.6305 29.0415 15.7681 1.3285 1.5262 0.5843 -0.7420 0.0088 -0.1336 0.6305 7.1630 6.1228 -1.2286 -0.5389 6.0287 0.0078 0.0336 0.1317 0.0873 0.5901 -0.6786 -0.4037 0.9277 -0.6210 'X-RAY DIFFRACTION' 6 ? refined -5.7351 19.1951 16.6566 1.4598 1.3530 0.7352 -0.7422 -0.0151 -0.2046 0.2443 2.1194 2.5296 -0.6181 -0.6406 2.3079 1.0550 -0.8805 -0.7245 2.1793 -0.4835 -0.3404 1.7972 -0.7955 -0.6715 'X-RAY DIFFRACTION' 7 ? refined -5.8985 20.7247 4.8585 0.8429 1.2094 0.8833 -0.5510 0.1136 -0.4763 0.9603 0.9563 0.5085 0.5081 0.6901 0.4527 0.0511 0.0382 -0.0753 -0.0267 -0.0211 0.0626 0.0559 0.0313 -0.7059 'X-RAY DIFFRACTION' 8 ? refined 0.1216 45.0042 0.8423 0.9443 1.0332 1.1039 -0.3645 0.4468 -0.5117 0.0493 0.2973 3.4052 0.1212 -0.4022 -1.0075 0.3102 -0.2475 0.6985 0.4956 -0.1744 0.3351 -0.8141 -0.3458 -0.4295 'X-RAY DIFFRACTION' 9 ? refined 0.1368 50.0591 0.7920 1.0407 1.1523 1.3269 -0.2640 0.5135 -0.5353 2.8653 3.9167 9.9621 -0.4286 0.9898 2.4146 0.6596 -0.2438 0.8050 0.7191 -0.0592 -0.0791 -1.3812 -0.2124 0.2613 'X-RAY DIFFRACTION' 10 ? refined 0.6868 43.2089 -12.1552 0.6279 0.8270 0.7407 -0.3343 0.1481 -0.1798 9.5921 4.6061 4.7966 -1.3815 -1.6025 -2.5974 -0.5513 2.0277 -0.2480 -0.8100 -0.0514 0.8635 -0.1003 0.2066 0.3891 'X-RAY DIFFRACTION' 11 ? refined 7.8893 44.9235 -22.7799 0.5544 0.6851 0.6976 0.0041 0.1196 -0.1672 7.6271 9.4289 6.2470 -3.7483 -5.9542 6.4083 0.9059 1.1603 0.2664 -0.8106 -1.1078 1.0240 -1.5447 -1.2734 0.1309 'X-RAY DIFFRACTION' 12 ? refined 13.5495 37.5017 -14.3310 0.6222 0.7129 0.6601 -0.3008 0.1650 -0.2640 2.4694 3.0176 4.3733 -0.2802 -0.0527 3.6176 0.3785 -0.3437 0.5307 0.3765 -0.2826 0.6523 -0.0019 -0.2073 0.0174 'X-RAY DIFFRACTION' 13 ? refined 22.4938 36.1748 -19.8842 0.5139 0.5785 0.6832 -0.1672 0.1878 -0.2525 3.6423 3.8113 4.0359 1.4162 1.6350 3.1541 0.5206 -0.0561 -0.4376 0.2754 -0.0442 -0.3866 -0.1708 0.5690 -0.4055 'X-RAY DIFFRACTION' 14 ? refined 27.5704 37.1413 -13.5923 0.6147 0.7481 0.6797 -0.1843 0.1111 -0.4521 1.1266 2.4687 4.3732 1.1502 1.2466 1.6685 0.3634 -0.0037 -0.0500 0.3402 0.2712 -0.6349 0.5665 0.6396 0.0039 'X-RAY DIFFRACTION' 15 ? refined 13.1460 32.7947 -21.1010 0.4362 0.5136 0.5024 -0.2293 -0.1109 -0.2629 0.1101 0.0043 0.0388 -0.0200 -0.0666 0.0150 0.0743 0.1247 -0.0183 -0.1360 0.0081 0.2232 0.1466 0.0387 0.7770 'X-RAY DIFFRACTION' 16 ? refined 16.7229 7.0866 -43.5222 1.5092 1.1874 1.5716 -0.5941 -0.0305 -0.5903 0.1140 0.2466 0.4404 0.0776 0.2138 0.2323 0.0526 0.1517 -0.1118 -0.0511 0.1197 0.0222 0.2102 0.0904 -0.1788 'X-RAY DIFFRACTION' 17 ? refined 28.1425 12.3940 -42.7638 0.4527 0.7242 0.9896 0.1035 0.0276 -0.4274 0.4342 0.1710 1.7084 -0.2727 -0.8617 0.5408 -0.3319 0.6750 -0.8748 0.2678 -0.3147 0.6983 0.5729 -0.5743 -0.1348 'X-RAY DIFFRACTION' 18 ? refined 24.5948 19.3524 -36.3226 0.6010 0.8699 0.7293 -0.0290 0.1339 -0.3725 2.0783 2.2978 5.6301 -1.1065 -0.9116 2.7402 -0.2297 0.2582 -0.5231 0.5242 -0.4781 0.8031 1.0405 -0.4701 0.5216 'X-RAY DIFFRACTION' 19 ? refined 33.8296 23.5538 -28.0231 0.7963 1.2062 0.7177 -0.0174 -0.0358 -0.2715 2.4039 6.4150 8.6223 -0.7537 -2.5929 -4.2306 -0.3349 -1.3628 0.4088 1.1644 -0.0339 -1.3350 0.2324 1.0658 0.2106 'X-RAY DIFFRACTION' 20 ? refined 30.4372 17.4364 -35.0616 0.5709 0.6308 0.6172 0.0884 0.0086 -0.3920 1.3738 3.2935 4.0352 0.7811 0.8963 2.0955 -0.2561 -0.1824 0.0449 0.8358 0.1546 -0.0138 0.6268 0.2813 -1.3822 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? '(chain A and resid 37:47)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '(chain A and resid 48:62)' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '(chain A and resid 63:96)' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '(chain A and resid 105:113)' 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? '(chain A and resid 114:125)' 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? '(chain A and resid 126:132)' 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? '(chain A and resid 133:173)' 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? '(chain A and resid 174:205)' 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? '(chain A and resid 206:224)' 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? '(chain A and resid 225:235)' 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? '(chain A and resid 236:252)' 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? '(chain A and resid 253:280)' 'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? '(chain A and resid 281:328)' 'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? '(chain A and resid 329:351)' 'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? '(chain A and resid 352:382)' 'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? '(chain A and resid 383:391)' 'X-RAY DIFFRACTION' 17 17 ? ? ? ? ? ? ? ? ? '(chain A and resid 392:403)' 'X-RAY DIFFRACTION' 18 18 ? ? ? ? ? ? ? ? ? '(chain A and resid 404:467)' 'X-RAY DIFFRACTION' 19 19 ? ? ? ? ? ? ? ? ? '(chain A and resid 468:487)' 'X-RAY DIFFRACTION' 20 20 ? ? ? ? ? ? ? ? ? '(chain A and resid 488:506)' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10.1_2155: ???)' 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 5 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 C A GLU 115 ? ? N A ALA 116 ? ? CA A ALA 116 ? ? 138.05 121.70 16.35 2.50 Y 2 1 N A ALA 116 ? ? CA A ALA 116 ? ? C A ALA 116 ? ? 94.51 111.00 -16.49 2.70 N 3 1 CA A LEU 133 ? ? CB A LEU 133 ? ? CG A LEU 133 ? ? 129.65 115.30 14.35 2.30 N # 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 ALA A 67 ? ? -81.52 30.62 2 1 CYS A 68 ? ? -38.65 129.39 3 1 SER A 106 ? ? -156.00 -151.92 4 1 ARG A 114 ? ? -81.14 35.83 5 1 ALA A 116 ? ? 167.98 -173.00 6 1 LEU A 117 ? ? 64.47 -122.65 7 1 ASN A 118 ? ? -130.85 -75.34 8 1 LEU A 119 ? ? 60.25 -3.26 9 1 GLN A 179 ? ? 57.27 -141.31 10 1 ASN A 195 ? ? 71.06 -6.71 11 1 GLU A 207 ? ? 33.24 -114.33 12 1 THR A 237 ? ? 73.35 -25.60 13 1 ALA A 271 ? ? -124.08 -168.34 14 1 SER A 331 ? ? -73.52 -71.04 15 1 PRO A 356 ? ? -65.52 -177.09 16 1 SER A 385 ? ? 83.17 -2.21 17 1 ILE A 433 ? ? -100.17 -61.66 18 1 GLN A 435 ? ? 56.17 -124.56 19 1 PHE A 469 ? ? 60.44 -5.19 20 1 ASN A 473 ? ? 45.14 75.21 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 ARG A 206 ? ? GLU A 207 ? ? 122.75 2 1 GLU A 381 ? ? CYS A 382 ? ? -137.80 # 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 40 ? CG ? A GLU 12 CG 2 1 Y 1 A GLU 40 ? CD ? A GLU 12 CD 3 1 Y 1 A GLU 40 ? OE1 ? A GLU 12 OE1 4 1 Y 1 A GLU 40 ? OE2 ? A GLU 12 OE2 5 1 Y 1 A GLU 115 ? CG ? A GLU 87 CG 6 1 Y 1 A GLU 115 ? CD ? A GLU 87 CD 7 1 Y 1 A GLU 115 ? OE1 ? A GLU 87 OE1 8 1 Y 1 A GLU 115 ? OE2 ? A GLU 87 OE2 9 1 Y 1 A ARG 120 ? CG ? A ARG 92 CG 10 1 Y 1 A ARG 120 ? CD ? A ARG 92 CD 11 1 Y 1 A ARG 120 ? NE ? A ARG 92 NE 12 1 Y 1 A ARG 120 ? CZ ? A ARG 92 CZ 13 1 Y 1 A ARG 120 ? NH1 ? A ARG 92 NH1 14 1 Y 1 A ARG 120 ? NH2 ? A ARG 92 NH2 15 1 Y 1 A LYS 185 ? CG ? A LYS 157 CG 16 1 Y 1 A LYS 185 ? CD ? A LYS 157 CD 17 1 Y 1 A LYS 185 ? CE ? A LYS 157 CE 18 1 Y 1 A LYS 185 ? NZ ? A LYS 157 NZ 19 1 Y 1 A LYS 192 ? CG ? A LYS 164 CG 20 1 Y 1 A LYS 192 ? CD ? A LYS 164 CD 21 1 Y 1 A LYS 192 ? CE ? A LYS 164 CE 22 1 Y 1 A LYS 192 ? NZ ? A LYS 164 NZ 23 1 Y 1 A GLU 207 ? CG ? A GLU 179 CG 24 1 Y 1 A GLU 207 ? CD ? A GLU 179 CD 25 1 Y 1 A GLU 207 ? OE1 ? A GLU 179 OE1 26 1 Y 1 A GLU 207 ? OE2 ? A GLU 179 OE2 27 1 Y 1 A ARG 224 ? CG ? A ARG 196 CG 28 1 Y 1 A ARG 224 ? CD ? A ARG 196 CD 29 1 Y 1 A ARG 224 ? NE ? A ARG 196 NE 30 1 Y 1 A ARG 224 ? CZ ? A ARG 196 CZ 31 1 Y 1 A ARG 224 ? NH1 ? A ARG 196 NH1 32 1 Y 1 A ARG 224 ? NH2 ? A ARG 196 NH2 33 1 Y 1 A GLU 236 ? CG ? A GLU 208 CG 34 1 Y 1 A GLU 236 ? CD ? A GLU 208 CD 35 1 Y 1 A GLU 236 ? OE1 ? A GLU 208 OE1 36 1 Y 1 A GLU 236 ? OE2 ? A GLU 208 OE2 37 1 Y 1 A GLU 323 ? CG ? A GLU 295 CG 38 1 Y 1 A GLU 323 ? CD ? A GLU 295 CD 39 1 Y 1 A GLU 323 ? OE1 ? A GLU 295 OE1 40 1 Y 1 A GLU 323 ? OE2 ? A GLU 295 OE2 41 1 Y 1 A LYS 360 ? CG ? A LYS 332 CG 42 1 Y 1 A LYS 360 ? CD ? A LYS 332 CD 43 1 Y 1 A LYS 360 ? CE ? A LYS 332 CE 44 1 Y 1 A LYS 360 ? NZ ? A LYS 332 NZ 45 1 Y 1 A GLN 390 ? CG ? A GLN 362 CG 46 1 Y 1 A GLN 390 ? CD ? A GLN 362 CD 47 1 Y 1 A GLN 390 ? OE1 ? A GLN 362 OE1 48 1 Y 1 A GLN 390 ? NE2 ? A GLN 362 NE2 49 1 Y 1 A TYR 394 ? CG ? A TYR 366 CG 50 1 Y 1 A TYR 394 ? CD1 ? A TYR 366 CD1 51 1 Y 1 A TYR 394 ? CD2 ? A TYR 366 CD2 52 1 Y 1 A TYR 394 ? CE1 ? A TYR 366 CE1 53 1 Y 1 A TYR 394 ? CE2 ? A TYR 366 CE2 54 1 Y 1 A TYR 394 ? CZ ? A TYR 366 CZ 55 1 Y 1 A TYR 394 ? OH ? A TYR 366 OH 56 1 Y 1 A GLU 427 ? CG ? A GLU 399 CG 57 1 Y 1 A GLU 427 ? CD ? A GLU 399 CD 58 1 Y 1 A GLU 427 ? OE1 ? A GLU 399 OE1 59 1 Y 1 A GLU 427 ? OE2 ? A GLU 399 OE2 60 1 Y 1 A LYS 431 ? CG ? A LYS 403 CG 61 1 Y 1 A LYS 431 ? CD ? A LYS 403 CD 62 1 Y 1 A LYS 431 ? CE ? A LYS 403 CE 63 1 Y 1 A LYS 431 ? NZ ? A LYS 403 NZ 64 1 Y 1 A GLN 432 ? CG ? A GLN 404 CG 65 1 Y 1 A GLN 432 ? CD ? A GLN 404 CD 66 1 Y 1 A GLN 432 ? OE1 ? A GLN 404 OE1 67 1 Y 1 A GLN 432 ? NE2 ? A GLN 404 NE2 68 1 Y 1 A LYS 434 ? CG ? A LYS 406 CG 69 1 Y 1 A LYS 434 ? CD ? A LYS 406 CD 70 1 Y 1 A LYS 434 ? CE ? A LYS 406 CE 71 1 Y 1 A LYS 434 ? NZ ? A LYS 406 NZ 72 1 Y 1 A ARG 475 ? CG ? A ARG 447 CG 73 1 Y 1 A ARG 475 ? CD ? A ARG 447 CD 74 1 Y 1 A ARG 475 ? NE ? A ARG 447 NE 75 1 Y 1 A ARG 475 ? CZ ? A ARG 447 CZ 76 1 Y 1 A ARG 475 ? NH1 ? A ARG 447 NH1 77 1 Y 1 A ARG 475 ? NH2 ? A ARG 447 NH2 78 1 Y 1 A ARG 490 ? CG ? A ARG 462 CG 79 1 Y 1 A ARG 490 ? CD ? A ARG 462 CD 80 1 Y 1 A ARG 490 ? NE ? A ARG 462 NE 81 1 Y 1 A ARG 490 ? CZ ? A ARG 462 CZ 82 1 Y 1 A ARG 490 ? NH1 ? A ARG 462 NH1 83 1 Y 1 A ARG 490 ? NH2 ? A ARG 462 NH2 84 1 Y 1 A LYS 506 ? CG ? A LYS 478 CG 85 1 Y 1 A LYS 506 ? CD ? A LYS 478 CD 86 1 Y 1 A LYS 506 ? CE ? A LYS 478 CE 87 1 Y 1 A LYS 506 ? NZ ? A LYS 478 NZ # 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 ARG 29 ? A ARG 1 2 1 Y 1 A SER 30 ? A SER 2 3 1 Y 1 A GLY 31 ? A GLY 3 4 1 Y 1 A ALA 32 ? A ALA 4 5 1 Y 1 A PRO 33 ? A PRO 5 6 1 Y 1 A GLY 34 ? A GLY 6 7 1 Y 1 A ASP 35 ? A ASP 7 8 1 Y 1 A ALA 36 ? A ALA 8 9 1 Y 1 A GLY 97 ? A GLY 69 10 1 Y 1 A TRP 98 ? A TRP 70 11 1 Y 1 A PRO 99 ? A PRO 71 12 1 Y 1 A GLY 100 ? A GLY 72 13 1 Y 1 A THR 101 ? A THR 73 14 1 Y 1 A ASN 102 ? A ASN 74 15 1 Y 1 A THR 103 ? A THR 75 16 1 Y 1 A THR 104 ? A THR 76 17 1 Y 1 A GLY 135 ? A GLY 107 18 1 Y 1 A ALA 136 ? A ALA 108 19 1 Y 1 A ARG 137 ? A ARG 109 20 1 Y 1 A THR 138 ? A THR 110 21 1 Y 1 A SER 139 ? A SER 111 22 1 Y 1 A ASN 140 ? A ASN 112 23 1 Y 1 A ILE 141 ? A ILE 113 24 1 Y 1 A SER 142 ? A SER 114 25 1 Y 1 A LYS 143 ? A LYS 115 26 1 Y 1 A PRO 144 ? A PRO 116 27 1 Y 1 A GLY 145 ? A GLY 117 28 1 Y 1 A THR 146 ? A THR 118 29 1 Y 1 A LEU 147 ? A LEU 119 30 1 Y 1 A GLU 148 ? A GLU 120 31 1 Y 1 A ARG 149 ? A ARG 121 32 1 Y 1 A GLY 150 ? A GLY 122 33 1 Y 1 A ASP 151 ? A ASP 123 34 1 Y 1 A GLN 152 ? A GLN 124 35 1 Y 1 A THR 153 ? A THR 125 36 1 Y 1 A ARG 154 ? A ARG 126 37 1 Y 1 A SER 155 ? A SER 127 38 1 Y 1 A GLY 156 ? A GLY 128 39 1 Y 1 A ASN 364 ? A ASN 336 40 1 Y 1 A ALA 365 ? A ALA 337 41 1 Y 1 A THR 366 ? A THR 338 42 1 Y 1 A ALA 367 ? A ALA 339 43 1 Y 1 A GLU 368 ? A GLU 340 44 1 Y 1 A PRO 369 ? A PRO 341 45 1 Y 1 A THR 370 ? A THR 342 46 1 Y 1 A PRO 371 ? A PRO 343 47 1 Y 1 A PRO 372 ? A PRO 344 48 1 Y 1 A ASP 373 ? A ASP 345 49 1 Y 1 A ARG 374 ? A ARG 346 50 1 Y 1 A TRP 375 ? A TRP 347 51 1 Y 1 A ALA 376 ? A ALA 348 52 1 Y 1 A ASN 377 ? A ASN 349 53 1 Y 1 A VAL 378 ? A VAL 350 54 1 Y 1 A LYS 379 ? A LYS 351 55 1 Y 1 A ALA 507 ? A ALA 479 56 1 Y 1 A GLY 508 ? A GLY 480 57 1 Y 1 A GLN 509 ? A GLN 481 58 1 Y 1 A LEU 510 ? A LEU 482 59 1 Y 1 A THR 511 ? A THR 483 60 1 Y 1 A ARG 512 ? A ARG 484 61 1 Y 1 A THR 513 ? A THR 485 62 1 Y 1 A GLY 514 ? A GLY 486 63 1 Y 1 A HIS 515 ? A HIS 487 64 1 Y 1 A HIS 516 ? A HIS 488 65 1 Y 1 A HIS 517 ? A HIS 489 66 1 Y 1 A HIS 518 ? A HIS 490 67 1 Y 1 A HIS 519 ? A HIS 491 68 1 Y 1 A HIS 520 ? A HIS 492 # _pdbx_audit_support.funding_organization 'National Natural Science Foundation of China' _pdbx_audit_support.country China _pdbx_audit_support.grant_number 31570745 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 'SODIUM ION' NA 4 N-ACETYL-D-GLUCOSAMINE NAG 5 'PENTAETHYLENE GLYCOL' 1PE 6 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL PE5 7 water HOH #