data_5I85 # _entry.id 5I85 # _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 5I85 WWPDB D_1000218449 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB '5I81 contains the same protein but without phosphocholine.' 5I81 unspecified PDB . 5I8R 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 5I85 _pdbx_database_status.recvd_initial_deposition_date 2016-02-18 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Zhou, Y.F.' 1 'Wei, R.R.' 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 'Nat Commun' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2041-1723 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 7 _citation.language ? _citation.page_first 13082 _citation.page_last 13082 _citation.title 'Human acid sphingomyelinase structures provide insight to molecular basis of Niemann-Pick disease.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/ncomms13082 _citation.pdbx_database_id_PubMed 27725636 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhou, Y.F.' 1 primary 'Metcalf, M.C.' 2 primary 'Garman, S.C.' 3 primary 'Edmunds, T.' 4 primary 'Qiu, H.' 5 primary 'Wei, R.R.' 6 # _cell.entry_id 5I85 _cell.length_a 131.601 _cell.length_b 131.601 _cell.length_c 188.573 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5I85 _symmetry.space_group_name_H-M 'P 64 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 181 # 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 'Sphingomyelin phosphodiesterase' 65114.270 1 3.1.4.12 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 9 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 11 ? ? ? ? 7 non-polymer syn PHOSPHOCHOLINE 184.151 1 ? ? ? ? 8 water nat water 18.015 261 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Acid sphingomyelinase,aSMase' # _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 ;LSDSRVLWAPAEAHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIKLCNLLKIA PPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISLPTVPKPPPKPPSPPAPGAPVSRILFLTD LHWDHDYLEGTDPDCADPLCCRRGSGLPPASRPGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWH QTRQDQLRALTTVTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEALRTLRIGGF YALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGDKVHIIGHIPPGHCLKSWSWNYYRIVARY ENTLAAQFFGHTHVDEFEVFYDEETLSRPLAVAFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANI PGAIPHWQLLYRARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLSARADSPAL CRHLMPDGSLPEAQSLWPRPLFC ; _entity_poly.pdbx_seq_one_letter_code_can ;LSDSRVLWAPAEAHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIKLCNLLKIA PPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISLPTVPKPPPKPPSPPAPGAPVSRILFLTD LHWDHDYLEGTDPDCADPLCCRRGSGLPPASRPGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWH QTRQDQLRALTTVTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEALRTLRIGGF YALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGDKVHIIGHIPPGHCLKSWSWNYYRIVARY ENTLAAQFFGHTHVDEFEVFYDEETLSRPLAVAFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANI PGAIPHWQLLYRARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLSARADSPAL CRHLMPDGSLPEAQSLWPRPLFC ; _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 LEU n 1 2 SER n 1 3 ASP n 1 4 SER n 1 5 ARG n 1 6 VAL n 1 7 LEU n 1 8 TRP n 1 9 ALA n 1 10 PRO n 1 11 ALA n 1 12 GLU n 1 13 ALA n 1 14 HIS n 1 15 PRO n 1 16 LEU n 1 17 SER n 1 18 PRO n 1 19 GLN n 1 20 GLY n 1 21 HIS n 1 22 PRO n 1 23 ALA n 1 24 ARG n 1 25 LEU n 1 26 HIS n 1 27 ARG n 1 28 ILE n 1 29 VAL n 1 30 PRO n 1 31 ARG n 1 32 LEU n 1 33 ARG n 1 34 ASP n 1 35 VAL n 1 36 PHE n 1 37 GLY n 1 38 TRP n 1 39 GLY n 1 40 ASN n 1 41 LEU n 1 42 THR n 1 43 CYS n 1 44 PRO n 1 45 ILE n 1 46 CYS n 1 47 LYS n 1 48 GLY n 1 49 LEU n 1 50 PHE n 1 51 THR n 1 52 ALA n 1 53 ILE n 1 54 ASN n 1 55 LEU n 1 56 GLY n 1 57 LEU n 1 58 LYS n 1 59 LYS n 1 60 GLU n 1 61 PRO n 1 62 ASN n 1 63 VAL n 1 64 ALA n 1 65 ARG n 1 66 VAL n 1 67 GLY n 1 68 SER n 1 69 VAL n 1 70 ALA n 1 71 ILE n 1 72 LYS n 1 73 LEU n 1 74 CYS n 1 75 ASN n 1 76 LEU n 1 77 LEU n 1 78 LYS n 1 79 ILE n 1 80 ALA n 1 81 PRO n 1 82 PRO n 1 83 ALA n 1 84 VAL n 1 85 CYS n 1 86 GLN n 1 87 SER n 1 88 ILE n 1 89 VAL n 1 90 HIS n 1 91 LEU n 1 92 PHE n 1 93 GLU n 1 94 ASP n 1 95 ASP n 1 96 MET n 1 97 VAL n 1 98 GLU n 1 99 VAL n 1 100 TRP n 1 101 ARG n 1 102 ARG n 1 103 SER n 1 104 VAL n 1 105 LEU n 1 106 SER n 1 107 PRO n 1 108 SER n 1 109 GLU n 1 110 ALA n 1 111 CYS n 1 112 GLY n 1 113 LEU n 1 114 LEU n 1 115 LEU n 1 116 GLY n 1 117 SER n 1 118 THR n 1 119 CYS n 1 120 GLY n 1 121 HIS n 1 122 TRP n 1 123 ASP n 1 124 ILE n 1 125 PHE n 1 126 SER n 1 127 SER n 1 128 TRP n 1 129 ASN n 1 130 ILE n 1 131 SER n 1 132 LEU n 1 133 PRO n 1 134 THR n 1 135 VAL n 1 136 PRO n 1 137 LYS n 1 138 PRO n 1 139 PRO n 1 140 PRO n 1 141 LYS n 1 142 PRO n 1 143 PRO n 1 144 SER n 1 145 PRO n 1 146 PRO n 1 147 ALA n 1 148 PRO n 1 149 GLY n 1 150 ALA n 1 151 PRO n 1 152 VAL n 1 153 SER n 1 154 ARG n 1 155 ILE n 1 156 LEU n 1 157 PHE n 1 158 LEU n 1 159 THR n 1 160 ASP n 1 161 LEU n 1 162 HIS n 1 163 TRP n 1 164 ASP n 1 165 HIS n 1 166 ASP n 1 167 TYR n 1 168 LEU n 1 169 GLU n 1 170 GLY n 1 171 THR n 1 172 ASP n 1 173 PRO n 1 174 ASP n 1 175 CYS n 1 176 ALA n 1 177 ASP n 1 178 PRO n 1 179 LEU n 1 180 CYS n 1 181 CYS n 1 182 ARG n 1 183 ARG n 1 184 GLY n 1 185 SER n 1 186 GLY n 1 187 LEU n 1 188 PRO n 1 189 PRO n 1 190 ALA n 1 191 SER n 1 192 ARG n 1 193 PRO n 1 194 GLY n 1 195 ALA n 1 196 GLY n 1 197 TYR n 1 198 TRP n 1 199 GLY n 1 200 GLU n 1 201 TYR n 1 202 SER n 1 203 LYS n 1 204 CYS n 1 205 ASP n 1 206 LEU n 1 207 PRO n 1 208 LEU n 1 209 ARG n 1 210 THR n 1 211 LEU n 1 212 GLU n 1 213 SER n 1 214 LEU n 1 215 LEU n 1 216 SER n 1 217 GLY n 1 218 LEU n 1 219 GLY n 1 220 PRO n 1 221 ALA n 1 222 GLY n 1 223 PRO n 1 224 PHE n 1 225 ASP n 1 226 MET n 1 227 VAL n 1 228 TYR n 1 229 TRP n 1 230 THR n 1 231 GLY n 1 232 ASP n 1 233 ILE n 1 234 PRO n 1 235 ALA n 1 236 HIS n 1 237 ASP n 1 238 VAL n 1 239 TRP n 1 240 HIS n 1 241 GLN n 1 242 THR n 1 243 ARG n 1 244 GLN n 1 245 ASP n 1 246 GLN n 1 247 LEU n 1 248 ARG n 1 249 ALA n 1 250 LEU n 1 251 THR n 1 252 THR n 1 253 VAL n 1 254 THR n 1 255 ALA n 1 256 LEU n 1 257 VAL n 1 258 ARG n 1 259 LYS n 1 260 PHE n 1 261 LEU n 1 262 GLY n 1 263 PRO n 1 264 VAL n 1 265 PRO n 1 266 VAL n 1 267 TYR n 1 268 PRO n 1 269 ALA n 1 270 VAL n 1 271 GLY n 1 272 ASN n 1 273 HIS n 1 274 GLU n 1 275 SER n 1 276 THR n 1 277 PRO n 1 278 VAL n 1 279 ASN n 1 280 SER n 1 281 PHE n 1 282 PRO n 1 283 PRO n 1 284 PRO n 1 285 PHE n 1 286 ILE n 1 287 GLU n 1 288 GLY n 1 289 ASN n 1 290 HIS n 1 291 SER n 1 292 SER n 1 293 ARG n 1 294 TRP n 1 295 LEU n 1 296 TYR n 1 297 GLU n 1 298 ALA n 1 299 MET n 1 300 ALA n 1 301 LYS n 1 302 ALA n 1 303 TRP n 1 304 GLU n 1 305 PRO n 1 306 TRP n 1 307 LEU n 1 308 PRO n 1 309 ALA n 1 310 GLU n 1 311 ALA n 1 312 LEU n 1 313 ARG n 1 314 THR n 1 315 LEU n 1 316 ARG n 1 317 ILE n 1 318 GLY n 1 319 GLY n 1 320 PHE n 1 321 TYR n 1 322 ALA n 1 323 LEU n 1 324 SER n 1 325 PRO n 1 326 TYR n 1 327 PRO n 1 328 GLY n 1 329 LEU n 1 330 ARG n 1 331 LEU n 1 332 ILE n 1 333 SER n 1 334 LEU n 1 335 ASN n 1 336 MET n 1 337 ASN n 1 338 PHE n 1 339 CYS n 1 340 SER n 1 341 ARG n 1 342 GLU n 1 343 ASN n 1 344 PHE n 1 345 TRP n 1 346 LEU n 1 347 LEU n 1 348 ILE n 1 349 ASN n 1 350 SER n 1 351 THR n 1 352 ASP n 1 353 PRO n 1 354 ALA n 1 355 GLY n 1 356 GLN n 1 357 LEU n 1 358 GLN n 1 359 TRP n 1 360 LEU n 1 361 VAL n 1 362 GLY n 1 363 GLU n 1 364 LEU n 1 365 GLN n 1 366 ALA n 1 367 ALA n 1 368 GLU n 1 369 ASP n 1 370 ARG n 1 371 GLY n 1 372 ASP n 1 373 LYS n 1 374 VAL n 1 375 HIS n 1 376 ILE n 1 377 ILE n 1 378 GLY n 1 379 HIS n 1 380 ILE n 1 381 PRO n 1 382 PRO n 1 383 GLY n 1 384 HIS n 1 385 CYS n 1 386 LEU n 1 387 LYS n 1 388 SER n 1 389 TRP n 1 390 SER n 1 391 TRP n 1 392 ASN n 1 393 TYR n 1 394 TYR n 1 395 ARG n 1 396 ILE n 1 397 VAL n 1 398 ALA n 1 399 ARG n 1 400 TYR n 1 401 GLU n 1 402 ASN n 1 403 THR n 1 404 LEU n 1 405 ALA n 1 406 ALA n 1 407 GLN n 1 408 PHE n 1 409 PHE n 1 410 GLY n 1 411 HIS n 1 412 THR n 1 413 HIS n 1 414 VAL n 1 415 ASP n 1 416 GLU n 1 417 PHE n 1 418 GLU n 1 419 VAL n 1 420 PHE n 1 421 TYR n 1 422 ASP n 1 423 GLU n 1 424 GLU n 1 425 THR n 1 426 LEU n 1 427 SER n 1 428 ARG n 1 429 PRO n 1 430 LEU n 1 431 ALA n 1 432 VAL n 1 433 ALA n 1 434 PHE n 1 435 LEU n 1 436 ALA n 1 437 PRO n 1 438 SER n 1 439 ALA n 1 440 THR n 1 441 THR n 1 442 TYR n 1 443 ILE n 1 444 GLY n 1 445 LEU n 1 446 ASN n 1 447 PRO n 1 448 GLY n 1 449 TYR n 1 450 ARG n 1 451 VAL n 1 452 TYR n 1 453 GLN n 1 454 ILE n 1 455 ASP n 1 456 GLY n 1 457 ASN n 1 458 TYR n 1 459 SER n 1 460 GLY n 1 461 SER n 1 462 SER n 1 463 HIS n 1 464 VAL n 1 465 VAL n 1 466 LEU n 1 467 ASP n 1 468 HIS n 1 469 GLU n 1 470 THR n 1 471 TYR n 1 472 ILE n 1 473 LEU n 1 474 ASN n 1 475 LEU n 1 476 THR n 1 477 GLN n 1 478 ALA n 1 479 ASN n 1 480 ILE n 1 481 PRO n 1 482 GLY n 1 483 ALA n 1 484 ILE n 1 485 PRO n 1 486 HIS n 1 487 TRP n 1 488 GLN n 1 489 LEU n 1 490 LEU n 1 491 TYR n 1 492 ARG n 1 493 ALA n 1 494 ARG n 1 495 GLU n 1 496 THR n 1 497 TYR n 1 498 GLY n 1 499 LEU n 1 500 PRO n 1 501 ASN n 1 502 THR n 1 503 LEU n 1 504 PRO n 1 505 THR n 1 506 ALA n 1 507 TRP n 1 508 HIS n 1 509 ASN n 1 510 LEU n 1 511 VAL n 1 512 TYR n 1 513 ARG n 1 514 MET n 1 515 ARG n 1 516 GLY n 1 517 ASP n 1 518 MET n 1 519 GLN n 1 520 LEU n 1 521 PHE n 1 522 GLN n 1 523 THR n 1 524 PHE n 1 525 TRP n 1 526 PHE n 1 527 LEU n 1 528 TYR n 1 529 HIS n 1 530 LYS n 1 531 GLY n 1 532 HIS n 1 533 PRO n 1 534 PRO n 1 535 SER n 1 536 GLU n 1 537 PRO n 1 538 CYS n 1 539 GLY n 1 540 THR n 1 541 PRO n 1 542 CYS n 1 543 ARG n 1 544 LEU n 1 545 ALA n 1 546 THR n 1 547 LEU n 1 548 CYS n 1 549 ALA n 1 550 GLN n 1 551 LEU n 1 552 SER n 1 553 ALA n 1 554 ARG n 1 555 ALA n 1 556 ASP n 1 557 SER n 1 558 PRO n 1 559 ALA n 1 560 LEU n 1 561 CYS n 1 562 ARG n 1 563 HIS n 1 564 LEU n 1 565 MET n 1 566 PRO n 1 567 ASP n 1 568 GLY n 1 569 SER n 1 570 LEU n 1 571 PRO n 1 572 GLU n 1 573 ALA n 1 574 GLN n 1 575 SER n 1 576 LEU n 1 577 TRP n 1 578 PRO n 1 579 ARG n 1 580 PRO n 1 581 LEU n 1 582 PHE n 1 583 CYS 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 583 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'SMPD1, ASM' _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 human _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'HEK293S Gnt1-' _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 pIRES2 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code ASM_HUMAN _struct_ref.pdbx_db_accession P17405 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;LSDSRVLWAPAEAHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIKLCNLLKIA PPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISLPTVPKPPPKPPSPPAPGAPVSRILFLTD LHWDHDYLEGTDPDCADPLCCRRGSGLPPASRPGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWH QTRQDQLRALTTVTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEALRTLRIGGF YALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGDKVHIIGHIPPGHCLKSWSWNYYRIVARY ENTLAAQFFGHTHVDEFEVFYDEETLSRPLAVAFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANI PGAIPHWQLLYRARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLSARADSPAL CRHLMPDGSLPEAQSLWPRPLFC ; _struct_ref.pdbx_align_begin 47 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5I85 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 583 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P17405 _struct_ref_seq.db_align_beg 47 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 629 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 47 _struct_ref_seq.pdbx_auth_seq_align_end 629 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PC non-polymer . PHOSPHOCHOLINE ? 'C5 H15 N O4 P 1' 184.151 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _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 5I85 _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 3.62 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 66.02 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'phosphocholine soaked in well solution containing 1.5 M ammonium sulfate, 0.1 M sodium acetate pH 5.0-5.5, 12% glycerol.' _exptl_crystal_grow.pdbx_pH_range 5.0-5.5 # _diffrn.ambient_environment ? _diffrn.ambient_temp 90 _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 'RIGAKU SATURN 944+' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-01-08 # _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 1.54 _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 'ROTATING ANODE' _diffrn_source.target ? _diffrn_source.type 'RIGAKU FR-E+ SUPERBRIGHT' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.54 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_synchrotron_site ? # _reflns.B_iso_Wilson_estimate 30.760 _reflns.entry_id 5I85 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.5 _reflns.d_resolution_low 48.7 _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 34056 _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 99.900 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 17.300 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.200 _reflns.pdbx_netI_over_av_sigmaI 3.476 _reflns.pdbx_netI_over_sigmaI 12.600 _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 ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _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 _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 2.500 2.640 ? 0.900 ? ? ? ? ? 100.000 ? ? ? ? 0.822 ? ? ? ? ? ? ? ? 13.900 ? ? ? ? ? ? ? 1 1 ? ? 2.640 2.800 ? 1.100 ? ? ? ? ? 100.000 ? ? ? ? 0.662 ? ? ? ? ? ? ? ? 14.500 ? ? ? ? ? ? ? 2 1 ? ? 2.800 2.990 ? 1.500 ? ? ? ? ? 100.000 ? ? ? ? 0.500 ? ? ? ? ? ? ? ? 15.700 ? ? ? ? ? ? ? 3 1 ? ? 2.990 3.230 ? 2.200 ? ? ? ? ? 100.000 ? ? ? ? 0.336 ? ? ? ? ? ? ? ? 17.200 ? ? ? ? ? ? ? 4 1 ? ? 3.230 3.540 ? 3.100 ? ? ? ? ? 100.000 ? ? ? ? 0.234 ? ? ? ? ? ? ? ? 18.500 ? ? ? ? ? ? ? 5 1 ? ? 3.540 3.950 ? 4.000 ? ? ? ? ? 100.000 ? ? ? ? 0.175 ? ? ? ? ? ? ? ? 19.400 ? ? ? ? ? ? ? 6 1 ? ? 3.950 4.560 ? 4.900 ? ? ? ? ? 100.000 ? ? ? ? 0.137 ? ? ? ? ? ? ? ? 20.100 ? ? ? ? ? ? ? 7 1 ? ? 4.560 5.590 ? 5.900 ? ? ? ? ? 100.000 ? ? ? ? 0.112 ? ? ? ? ? ? ? ? 20.500 ? ? ? ? ? ? ? 8 1 ? ? 5.590 7.910 ? 7.500 ? ? ? ? ? 100.000 ? ? ? ? 0.092 ? ? ? ? ? ? ? ? 20.400 ? ? ? ? ? ? ? 9 1 ? ? 7.910 31.175 ? 15.600 ? ? ? ? ? 98.300 ? ? ? ? 0.040 ? ? ? ? ? ? ? ? 18.500 ? ? ? ? ? ? ? 10 1 ? ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5I85 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 33985 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 31.175 _refine.ls_d_res_high 2.500 _refine.ls_percent_reflns_obs 99.92 _refine.ls_R_factor_obs 0.1919 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1903 _refine.ls_R_factor_R_free 0.2218 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.93 _refine.ls_number_reflns_R_free 1676 _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 5I81 _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 0.26 _refine.pdbx_overall_phase_error 21.73 _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 4161 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 238 _refine_hist.number_atoms_solvent 261 _refine_hist.number_atoms_total 4660 _refine_hist.d_res_high 2.500 _refine_hist.d_res_low 31.175 # 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 0.018 ? ? 4557 'X-RAY DIFFRACTION' ? f_angle_d 0.885 ? ? 6235 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 14.043 ? ? 2642 'X-RAY DIFFRACTION' ? f_chiral_restr 0.048 ? ? 682 'X-RAY DIFFRACTION' ? f_plane_restr 0.007 ? ? 782 '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 'X-RAY DIFFRACTION' . 2.5000 2.5736 2625 0.2547 100.00 0.3202 . . 151 . . 'X-RAY DIFFRACTION' . 2.5736 2.6566 2625 0.2384 100.00 0.2931 . . 143 . . 'X-RAY DIFFRACTION' . 2.6566 2.7515 2642 0.2344 100.00 0.2489 . . 137 . . 'X-RAY DIFFRACTION' . 2.7515 2.8616 2674 0.2228 100.00 0.2586 . . 125 . . 'X-RAY DIFFRACTION' . 2.8616 2.9917 2650 0.2294 100.00 0.2792 . . 140 . . 'X-RAY DIFFRACTION' . 2.9917 3.1493 2653 0.2197 100.00 0.2652 . . 141 . . 'X-RAY DIFFRACTION' . 3.1493 3.3464 2657 0.2067 100.00 0.2562 . . 136 . . 'X-RAY DIFFRACTION' . 3.3464 3.6044 2677 0.1948 100.00 0.2393 . . 137 . . 'X-RAY DIFFRACTION' . 3.6044 3.9665 2705 0.1739 100.00 0.1913 . . 130 . . 'X-RAY DIFFRACTION' . 3.9665 4.5390 2726 0.1462 100.00 0.1521 . . 132 . . 'X-RAY DIFFRACTION' . 4.5390 5.7129 2753 0.1545 100.00 0.1897 . . 156 . . 'X-RAY DIFFRACTION' . 5.7129 31.1770 2922 0.1751 100.00 0.1876 . . 148 . . # _struct.entry_id 5I85 _struct.title 'aSMase with zinc and phosphocholine' _struct.pdbx_descriptor 'Sphingomyelin phosphodiesterase (E.C.3.1.4.12)' _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 5I85 _struct_keywords.text 'acid sphingomyelinase, phosphocholine, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # 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 2 ? E N N 2 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 4 ? K N N 4 ? L N N 2 ? M N N 2 ? N N N 2 ? O N N 5 ? P N N 5 ? Q N N 6 ? R N N 6 ? S N N 6 ? T N N 6 ? U N N 6 ? V N N 6 ? W N N 6 ? X N N 6 ? Y N N 6 ? Z N N 6 ? AA N N 6 ? BA N N 7 ? CA N N 8 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 TRP A 38 ? ASN A 40 ? TRP A 84 ASN A 86 5 ? 3 HELX_P HELX_P2 AA2 LEU A 41 ? LYS A 58 ? LEU A 87 LYS A 104 1 ? 18 HELX_P HELX_P3 AA3 LYS A 59 ? LEU A 77 ? LYS A 105 LEU A 123 1 ? 19 HELX_P HELX_P4 AA4 PRO A 81 ? SER A 103 ? PRO A 127 SER A 149 1 ? 23 HELX_P HELX_P5 AA5 SER A 106 ? GLY A 116 ? SER A 152 GLY A 162 1 ? 11 HELX_P HELX_P6 AA6 PRO A 207 ? GLY A 217 ? PRO A 253 GLY A 263 1 ? 11 HELX_P HELX_P7 AA7 LEU A 218 ? GLY A 222 ? LEU A 264 GLY A 268 5 ? 5 HELX_P HELX_P8 AA8 THR A 242 ? GLY A 262 ? THR A 288 GLY A 308 1 ? 21 HELX_P HELX_P9 AA9 SER A 292 ? TRP A 303 ? SER A 338 TRP A 349 1 ? 12 HELX_P HELX_P10 AB1 PRO A 308 ? GLY A 319 ? PRO A 354 GLY A 365 1 ? 12 HELX_P HELX_P11 AB2 ASN A 335 ? CYS A 339 ? ASN A 381 CYS A 385 5 ? 5 HELX_P HELX_P12 AB3 ASN A 343 ? ILE A 348 ? ASN A 389 ILE A 394 5 ? 6 HELX_P HELX_P13 AB4 ASP A 352 ? ALA A 354 ? ASP A 398 ALA A 400 5 ? 3 HELX_P HELX_P14 AB5 GLY A 355 ? GLY A 371 ? GLY A 401 GLY A 417 1 ? 17 HELX_P HELX_P15 AB6 PRO A 381 ? CYS A 385 ? PRO A 427 CYS A 431 5 ? 5 HELX_P HELX_P16 AB7 LEU A 386 ? TYR A 400 ? LEU A 432 TYR A 446 1 ? 15 HELX_P HELX_P17 AB8 ASN A 474 ? ASN A 479 ? ASN A 520 ASN A 525 1 ? 6 HELX_P HELX_P18 AB9 ALA A 493 ? GLY A 498 ? ALA A 539 GLY A 544 1 ? 6 HELX_P HELX_P19 AC1 LEU A 503 ? ASP A 517 ? LEU A 549 ASP A 563 1 ? 15 HELX_P HELX_P20 AC2 ASP A 517 ? HIS A 529 ? ASP A 563 HIS A 575 1 ? 13 HELX_P HELX_P21 AC3 GLY A 539 ? LEU A 551 ? GLY A 585 LEU A 597 1 ? 13 HELX_P HELX_P22 AC4 SER A 557 ? ARG A 562 ? SER A 603 ARG A 608 5 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 119 SG ? ? A CYS 89 A CYS 165 1_555 ? ? ? ? ? ? ? 2.025 ? disulf2 disulf ? ? A CYS 46 SG ? ? ? 1_555 A CYS 111 SG ? ? A CYS 92 A CYS 157 1_555 ? ? ? ? ? ? ? 2.094 ? disulf3 disulf ? ? A CYS 74 SG ? ? ? 1_555 A CYS 85 SG ? ? A CYS 120 A CYS 131 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? A CYS 175 SG ? ? ? 1_555 A CYS 180 SG ? ? A CYS 221 A CYS 226 1_555 ? ? ? ? ? ? ? 2.059 ? disulf5 disulf ? ? A CYS 181 SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 227 A CYS 250 1_555 ? ? ? ? ? ? ? 2.032 ? disulf6 disulf ? ? A CYS 339 SG ? ? ? 1_555 A CYS 385 SG ? ? A CYS 385 A CYS 431 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? A CYS 538 SG ? ? ? 1_555 A CYS 542 SG ? ? A CYS 584 A CYS 588 1_555 ? ? ? ? ? ? ? 2.036 ? disulf8 disulf ? ? A CYS 548 SG ? ? ? 1_555 A CYS 561 SG ? ? A CYS 594 A CYS 607 1_555 ? ? ? ? ? ? ? 2.023 ? metalc1 metalc ? ? A ASP 160 OD1 ? ? ? 1_555 P ZN . ZN ? ? A ASP 206 A ZN 715 1_555 ? ? ? ? ? ? ? 2.106 ? metalc2 metalc ? ? A HIS 162 NE2 ? ? ? 1_555 P ZN . ZN ? ? A HIS 208 A ZN 715 1_555 ? ? ? ? ? ? ? 2.224 ? metalc3 metalc ? ? A ASP 232 OD2 ? ? ? 1_555 O ZN . ZN ? ? A ASP 278 A ZN 714 1_555 ? ? ? ? ? ? ? 2.356 ? metalc4 metalc ? ? A ASP 232 OD2 ? ? ? 1_555 P ZN . ZN ? ? A ASP 278 A ZN 715 1_555 ? ? ? ? ? ? ? 2.108 ? metalc5 metalc ? ? A ASN 272 OD1 ? ? ? 1_555 O ZN . ZN ? ? A ASN 318 A ZN 714 1_555 ? ? ? ? ? ? ? 2.051 ? covale1 covale one ? A ASN 349 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 395 A NAG 706 1_555 ? ? ? ? ? ? ? 1.417 ? metalc6 metalc ? ? A HIS 379 NE2 ? ? ? 1_555 O ZN . ZN ? ? A HIS 425 A ZN 714 1_555 ? ? ? ? ? ? ? 2.038 ? metalc7 metalc ? ? A HIS 411 ND1 ? ? ? 1_555 O ZN . ZN ? ? A HIS 457 A ZN 714 1_555 ? ? ? ? ? ? ? 2.182 ? metalc8 metalc ? ? A HIS 413 NE2 ? ? ? 1_555 P ZN . ZN ? ? A HIS 459 A ZN 715 1_555 ? ? ? ? ? ? ? 2.075 ? covale2 covale one ? A ASN 457 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 503 A NAG 711 1_555 ? ? ? ? ? ? ? 1.482 ? covale3 covale one ? A ASN 474 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 520 A NAG 712 1_555 ? ? ? ? ? ? ? 1.372 ? covale4 covale both ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 703 A NAG 704 1_555 ? ? ? ? ? ? ? 1.396 ? covale5 covale both ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? A NAG 704 A BMA 705 1_555 ? ? ? ? ? ? ? 1.413 ? covale6 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 706 A NAG 707 1_555 ? ? ? ? ? ? ? 1.460 ? covale7 covale both ? H NAG . O4 ? ? ? 1_555 I BMA . C1 ? ? A NAG 707 A BMA 708 1_555 ? ? ? ? ? ? ? 1.433 ? covale8 covale one ? I BMA . O6 ? ? ? 1_555 J MAN . C1 ? ? A BMA 708 A MAN 709 1_555 ? ? ? ? ? ? ? 1.442 ? covale9 covale one ? J MAN . O3 ? ? ? 1_555 K MAN . C1 ? ? A MAN 709 A MAN 710 1_555 ? ? ? ? ? ? ? 1.428 ? covale10 covale both ? M NAG . O4 ? ? ? 1_555 N NAG . C1 ? ? A NAG 712 A NAG 713 1_555 ? ? ? ? ? ? ? 1.378 ? metalc9 metalc ? ? O ZN . ZN ? ? ? 1_555 BA PC . O4 ? ? A ZN 714 A PC 727 1_555 ? ? ? ? ? ? ? 2.098 ? metalc10 metalc ? ? P ZN . ZN ? ? ? 1_555 BA PC . O1 ? ? A ZN 715 A PC 727 1_555 ? ? ? ? ? ? ? 2.519 ? metalc11 metalc ? ? P ZN . ZN ? ? ? 1_555 BA PC . O4 ? ? A ZN 715 A PC 727 1_555 ? ? ? ? ? ? ? 2.510 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 222 A . ? GLY 268 A PRO 223 A ? PRO 269 A 1 -3.62 2 THR 276 A . ? THR 322 A PRO 277 A ? PRO 323 A 1 -5.31 3 TYR 442 A . ? TYR 488 A ILE 443 A ? ILE 489 A 1 -3.90 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 6 ? # 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 ? parallel AA1 2 3 ? parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? parallel AA2 3 4 ? parallel AA2 4 5 ? parallel AA2 5 6 ? 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 VAL A 266 ? PRO A 268 ? VAL A 312 PRO A 314 AA1 2 MET A 226 ? TRP A 229 ? MET A 272 TRP A 275 AA1 3 VAL A 152 ? LEU A 158 ? VAL A 198 LEU A 204 AA1 4 GLY A 448 ? ASP A 455 ? GLY A 494 ASP A 501 AA1 5 VAL A 465 ? ILE A 472 ? VAL A 511 ILE A 518 AA1 6 GLN A 488 ? ARG A 492 ? GLN A 534 ARG A 538 AA2 1 TYR A 321 ? TYR A 326 ? TYR A 367 TYR A 372 AA2 2 LEU A 329 ? SER A 333 ? LEU A 375 SER A 379 AA2 3 LYS A 373 ? ILE A 377 ? LYS A 419 ILE A 423 AA2 4 LEU A 404 ? PHE A 409 ? LEU A 450 PHE A 455 AA2 5 PRO A 429 ? LEU A 435 ? PRO A 475 LEU A 481 AA2 6 GLU A 416 ? TYR A 421 ? GLU A 462 TYR A 467 # 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 TYR A 267 ? O TYR A 313 N VAL A 227 ? N VAL A 273 AA1 2 3 O TYR A 228 ? O TYR A 274 N LEU A 156 ? N LEU A 202 AA1 3 4 N PHE A 157 ? N PHE A 203 O ARG A 450 ? O ARG A 496 AA1 4 5 N GLN A 453 ? N GLN A 499 O LEU A 466 ? O LEU A 512 AA1 5 6 N THR A 470 ? N THR A 516 O LEU A 490 ? O LEU A 536 AA2 1 2 N LEU A 323 ? N LEU A 369 O LEU A 331 ? O LEU A 377 AA2 2 3 N ARG A 330 ? N ARG A 376 O LYS A 373 ? O LYS A 419 AA2 3 4 N VAL A 374 ? N VAL A 420 O ALA A 405 ? O ALA A 451 AA2 4 5 N PHE A 409 ? N PHE A 455 O PHE A 434 ? O PHE A 480 AA2 5 6 O LEU A 430 ? O LEU A 476 N PHE A 420 ? N PHE A 466 # 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 NAG 701 ? 2 'binding site for residue NAG A 701' AC2 Software A NAG 702 ? 2 'binding site for residue NAG A 702' AC3 Software A ZN 714 ? 6 'binding site for residue ZN A 714' AC4 Software A ZN 715 ? 6 'binding site for residue ZN A 715' AC5 Software A SO4 716 ? 5 'binding site for residue SO4 A 716' AC6 Software A SO4 717 ? 5 'binding site for residue SO4 A 717' AC7 Software A SO4 718 ? 3 'binding site for residue SO4 A 718' AC8 Software A SO4 719 ? 4 'binding site for residue SO4 A 719' AC9 Software A SO4 720 ? 4 'binding site for residue SO4 A 720' AD1 Software A SO4 721 ? 5 'binding site for residue SO4 A 721' AD2 Software A SO4 722 ? 5 'binding site for residue SO4 A 722' AD3 Software A SO4 723 ? 5 'binding site for residue SO4 A 723' AD4 Software A SO4 724 ? 6 'binding site for residue SO4 A 724' AD5 Software A SO4 725 ? 3 'binding site for residue SO4 A 725' AD6 Software A SO4 726 ? 3 'binding site for residue SO4 A 726' AD7 Software A PC 727 ? 11 'binding site for residue PC A 727' AD8 Software A ASN 395 ? 5 'binding site for Poly-Saccharide residues NAG A 706 through MAN A 710 bound to ASN A 395' AD9 Software A NAG 711 ? 3 'binding site for Mono-Saccharide NAG A 711 bound to ASN A 503' AE1 Software A ASN 520 ? 5 'binding site for Poly-Saccharide residues NAG A 712 through NAG A 713 bound to ASN A 520' AE2 Software A NAG 703 ? 4 'binding site for Poly-Saccharide residues NAG A 703 through BMA A 705' # 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 2 ASN A 40 ? ASN A 86 . ? 1_555 ? 2 AC1 2 ILE A 79 ? ILE A 125 . ? 4_445 ? 3 AC2 2 SER A 127 ? SER A 173 . ? 1_555 ? 4 AC2 2 ASN A 129 ? ASN A 175 . ? 1_555 ? 5 AC3 6 ASP A 232 ? ASP A 278 . ? 1_555 ? 6 AC3 6 ASN A 272 ? ASN A 318 . ? 1_555 ? 7 AC3 6 HIS A 379 ? HIS A 425 . ? 1_555 ? 8 AC3 6 HIS A 411 ? HIS A 457 . ? 1_555 ? 9 AC3 6 ZN P . ? ZN A 715 . ? 1_555 ? 10 AC3 6 PC BA . ? PC A 727 . ? 1_555 ? 11 AC4 6 ASP A 160 ? ASP A 206 . ? 1_555 ? 12 AC4 6 HIS A 162 ? HIS A 208 . ? 1_555 ? 13 AC4 6 ASP A 232 ? ASP A 278 . ? 1_555 ? 14 AC4 6 HIS A 413 ? HIS A 459 . ? 1_555 ? 15 AC4 6 ZN O . ? ZN A 714 . ? 1_555 ? 16 AC4 6 PC BA . ? PC A 727 . ? 1_555 ? 17 AC5 5 HIS A 384 ? HIS A 430 . ? 1_555 ? 18 AC5 5 HIS A 411 ? HIS A 457 . ? 1_555 ? 19 AC5 5 PC BA . ? PC A 727 . ? 1_555 ? 20 AC5 5 HOH CA . ? HOH A 803 . ? 1_555 ? 21 AC5 5 HOH CA . ? HOH A 873 . ? 1_555 ? 22 AC6 5 LYS A 59 ? LYS A 105 . ? 4_445 ? 23 AC6 5 LYS A 59 ? LYS A 105 . ? 1_555 ? 24 AC6 5 ASN A 62 ? ASN A 108 . ? 4_445 ? 25 AC6 5 HOH CA . ? HOH A 950 . ? 4_445 ? 26 AC6 5 HOH CA . ? HOH A 950 . ? 1_555 ? 27 AC7 3 GLN A 86 ? GLN A 132 . ? 1_555 ? 28 AC7 3 SER A 87 ? SER A 133 . ? 1_555 ? 29 AC7 3 HIS A 90 ? HIS A 136 . ? 1_555 ? 30 AC8 4 LYS A 141 ? LYS A 187 . ? 1_555 ? 31 AC8 4 SER A 144 ? SER A 190 . ? 1_555 ? 32 AC8 4 ARG A 562 ? ARG A 608 . ? 11_555 ? 33 AC8 4 HIS A 563 ? HIS A 609 . ? 11_555 ? 34 AC9 4 ARG A 102 ? ARG A 148 . ? 1_555 ? 35 AC9 4 ILE A 286 ? ILE A 332 . ? 1_555 ? 36 AC9 4 GLU A 287 ? GLU A 333 . ? 1_555 ? 37 AC9 4 HIS A 290 ? HIS A 336 . ? 1_555 ? 38 AD1 5 PRO A 537 ? PRO A 583 . ? 1_555 ? 39 AD1 5 CYS A 538 ? CYS A 584 . ? 1_555 ? 40 AD1 5 GLY A 539 ? GLY A 585 . ? 1_555 ? 41 AD1 5 PRO A 541 ? PRO A 587 . ? 1_555 ? 42 AD1 5 CYS A 542 ? CYS A 588 . ? 1_555 ? 43 AD2 5 PRO A 189 ? PRO A 235 . ? 12_554 ? 44 AD2 5 ALA A 190 ? ALA A 236 . ? 12_554 ? 45 AD2 5 PRO A 534 ? PRO A 580 . ? 1_555 ? 46 AD2 5 SER A 535 ? SER A 581 . ? 1_555 ? 47 AD2 5 GLU A 536 ? GLU A 582 . ? 1_555 ? 48 AD3 5 GLY A 516 ? GLY A 562 . ? 1_555 ? 49 AD3 5 ASP A 517 ? ASP A 563 . ? 1_555 ? 50 AD3 5 MET A 518 ? MET A 564 . ? 1_555 ? 51 AD3 5 GLN A 519 ? GLN A 565 . ? 1_555 ? 52 AD3 5 HOH CA . ? HOH A 843 . ? 1_555 ? 53 AD4 6 PRO A 148 ? PRO A 194 . ? 11_555 ? 54 AD4 6 ARG A 515 ? ARG A 561 . ? 1_555 ? 55 AD4 6 GLY A 516 ? GLY A 562 . ? 1_555 ? 56 AD4 6 HOH CA . ? HOH A 805 . ? 1_555 ? 57 AD4 6 HOH CA . ? HOH A 961 . ? 1_555 ? 58 AD4 6 HOH CA . ? HOH A 968 . ? 1_555 ? 59 AD5 3 ASP A 94 ? ASP A 140 . ? 1_555 ? 60 AD5 3 NAG D . ? NAG A 703 . ? 1_555 ? 61 AD5 3 NAG E . ? NAG A 704 . ? 1_555 ? 62 AD6 3 ASP A 225 ? ASP A 271 . ? 1_555 ? 63 AD6 3 ASN A 457 ? ASN A 503 . ? 1_555 ? 64 AD6 3 NAG L . ? NAG A 711 . ? 1_555 ? 65 AD7 11 ASP A 160 ? ASP A 206 . ? 1_555 ? 66 AD7 11 HIS A 162 ? HIS A 208 . ? 1_555 ? 67 AD7 11 ASP A 232 ? ASP A 278 . ? 1_555 ? 68 AD7 11 HIS A 236 ? HIS A 282 . ? 1_555 ? 69 AD7 11 ASN A 272 ? ASN A 318 . ? 1_555 ? 70 AD7 11 HIS A 273 ? HIS A 319 . ? 1_555 ? 71 AD7 11 HIS A 411 ? HIS A 457 . ? 1_555 ? 72 AD7 11 HIS A 413 ? HIS A 459 . ? 1_555 ? 73 AD7 11 ZN O . ? ZN A 714 . ? 1_555 ? 74 AD7 11 ZN P . ? ZN A 715 . ? 1_555 ? 75 AD7 11 SO4 Q . ? SO4 A 716 . ? 1_555 ? 76 AD8 5 ASN A 129 ? ASN A 175 . ? 1_555 ? 77 AD8 5 ILE A 130 ? ILE A 176 . ? 1_555 ? 78 AD8 5 SER A 131 ? SER A 177 . ? 1_555 ? 79 AD8 5 ASN A 349 ? ASN A 395 . ? 1_555 ? 80 AD8 5 HOH CA . ? HOH A 842 . ? 1_555 ? 81 AD9 3 TYR A 326 ? TYR A 372 . ? 1_555 ? 82 AD9 3 ASN A 457 ? ASN A 503 . ? 1_555 ? 83 AD9 3 SO4 AA . ? SO4 A 726 . ? 1_555 ? 84 AE1 5 ASN A 474 ? ASN A 520 . ? 1_555 ? 85 AE1 5 THR A 476 ? THR A 522 . ? 1_555 ? 86 AE1 5 GLN A 477 ? GLN A 523 . ? 1_555 ? 87 AE1 5 GLN A 488 ? GLN A 534 . ? 1_555 ? 88 AE1 5 HOH CA . ? HOH A 935 . ? 1_555 ? 89 AE2 4 THR A 242 ? THR A 288 . ? 1_555 ? 90 AE2 4 ARG A 243 ? ARG A 289 . ? 1_555 ? 91 AE2 4 ASN A 289 ? ASN A 335 . ? 1_555 ? 92 AE2 4 SO4 Z . ? SO4 A 725 . ? 1_555 ? # _atom_sites.entry_id 5I85 _atom_sites.fract_transf_matrix[1][1] 0.007599 _atom_sites.fract_transf_matrix[1][2] 0.004387 _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] 0.008774 _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] 0.005303 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P S ZN # 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 . TRP A 1 38 ? -45.949 -76.014 -34.169 1.00 109.73 ? 84 TRP A N 1 ATOM 2 C CA . TRP A 1 38 ? -44.572 -76.362 -34.489 1.00 106.08 ? 84 TRP A CA 1 ATOM 3 C C . TRP A 1 38 ? -43.679 -75.133 -34.431 1.00 100.43 ? 84 TRP A C 1 ATOM 4 O O . TRP A 1 38 ? -43.229 -74.626 -35.457 1.00 97.22 ? 84 TRP A O 1 ATOM 5 C CB . TRP A 1 38 ? -44.491 -77.029 -35.867 1.00 107.56 ? 84 TRP A CB 1 ATOM 6 C CG . TRP A 1 38 ? -44.054 -78.479 -35.823 1.00 109.83 ? 84 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 38 ? -43.031 -79.056 -36.528 1.00 108.36 ? 84 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 38 ? -44.613 -79.524 -35.010 1.00 113.05 ? 84 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 38 ? -42.930 -80.390 -36.217 1.00 109.92 ? 84 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 38 ? -43.885 -80.702 -35.285 1.00 112.58 ? 84 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 38 ? -45.660 -79.578 -34.080 1.00 116.09 ? 84 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 38 ? -44.167 -81.910 -34.662 1.00 114.59 ? 84 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 38 ? -45.936 -80.779 -33.465 1.00 118.55 ? 84 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 38 ? -45.199 -81.931 -33.765 1.00 117.72 ? 84 TRP A CH2 1 ATOM 15 N N . GLY A 1 39 ? -43.435 -74.651 -33.212 1.00 99.19 ? 85 GLY A N 1 ATOM 16 C CA . GLY A 1 39 ? -42.470 -73.592 -33.001 1.00 94.35 ? 85 GLY A CA 1 ATOM 17 C C . GLY A 1 39 ? -41.025 -74.022 -33.118 1.00 90.10 ? 85 GLY A C 1 ATOM 18 O O . GLY A 1 39 ? -40.132 -73.229 -32.808 1.00 87.70 ? 85 GLY A O 1 ATOM 19 N N . ASN A 1 40 ? -40.774 -75.267 -33.537 1.00 89.30 ? 86 ASN A N 1 ATOM 20 C CA . ASN A 1 40 ? -39.424 -75.730 -33.827 1.00 85.60 ? 86 ASN A CA 1 ATOM 21 C C . ASN A 1 40 ? -38.841 -75.049 -35.059 1.00 77.36 ? 86 ASN A C 1 ATOM 22 O O . ASN A 1 40 ? -37.661 -75.249 -35.358 1.00 75.42 ? 86 ASN A O 1 ATOM 23 C CB . ASN A 1 40 ? -39.402 -77.258 -34.022 1.00 91.55 ? 86 ASN A CB 1 ATOM 24 C CG . ASN A 1 40 ? -40.344 -78.009 -33.065 1.00 99.92 ? 86 ASN A CG 1 ATOM 25 O OD1 . ASN A 1 40 ? -41.568 -77.886 -33.165 1.00 101.98 ? 86 ASN A OD1 1 ATOM 26 N ND2 . ASN A 1 40 ? -39.769 -78.825 -32.160 1.00 105.53 ? 86 ASN A ND2 1 ATOM 27 N N . LEU A 1 41 ? -39.634 -74.250 -35.776 1.00 72.59 ? 87 LEU A N 1 ATOM 28 C CA . LEU A 1 41 ? -39.190 -73.577 -36.987 1.00 66.31 ? 87 LEU A CA 1 ATOM 29 C C . LEU A 1 41 ? -38.814 -72.119 -36.778 1.00 61.77 ? 87 LEU A C 1 ATOM 30 O O . LEU A 1 41 ? -38.352 -71.477 -37.725 1.00 58.94 ? 87 LEU A O 1 ATOM 31 C CB . LEU A 1 41 ? -40.283 -73.631 -38.053 1.00 66.46 ? 87 LEU A CB 1 ATOM 32 C CG . LEU A 1 41 ? -40.403 -74.905 -38.870 1.00 66.77 ? 87 LEU A CG 1 ATOM 33 C CD1 . LEU A 1 41 ? -41.319 -74.617 -40.045 1.00 68.17 ? 87 LEU A CD1 1 ATOM 34 C CD2 . LEU A 1 41 ? -39.035 -75.392 -39.329 1.00 64.00 ? 87 LEU A CD2 1 ATOM 35 N N . THR A 1 42 ? -39.037 -71.568 -35.587 1.00 60.83 ? 88 THR A N 1 ATOM 36 C CA . THR A 1 42 ? -38.794 -70.147 -35.382 1.00 58.98 ? 88 THR A CA 1 ATOM 37 C C . THR A 1 42 ? -37.322 -69.808 -35.586 1.00 55.61 ? 88 THR A C 1 ATOM 38 O O . THR A 1 42 ? -36.988 -68.805 -36.223 1.00 55.65 ? 88 THR A O 1 ATOM 39 C CB . THR A 1 42 ? -39.259 -69.740 -33.991 1.00 61.07 ? 88 THR A CB 1 ATOM 40 O OG1 . THR A 1 42 ? -38.424 -70.379 -33.019 1.00 62.95 ? 88 THR A OG1 1 ATOM 41 C CG2 . THR A 1 42 ? -40.710 -70.173 -33.770 1.00 63.07 ? 88 THR A CG2 1 ATOM 42 N N . CYS A 1 43 ? -36.424 -70.646 -35.069 1.00 53.28 ? 89 CYS A N 1 ATOM 43 C CA . CYS A 1 43 ? -34.997 -70.398 -35.264 1.00 50.02 ? 89 CYS A CA 1 ATOM 44 C C . CYS A 1 43 ? -34.558 -70.582 -36.710 1.00 47.81 ? 89 CYS A C 1 ATOM 45 O O . CYS A 1 43 ? -33.834 -69.709 -37.224 1.00 47.13 ? 89 CYS A O 1 ATOM 46 C CB . CYS A 1 43 ? -34.191 -71.274 -34.303 1.00 51.80 ? 89 CYS A CB 1 ATOM 47 S SG . CYS A 1 43 ? -32.434 -71.015 -34.421 1.00 51.82 ? 89 CYS A SG 1 ATOM 48 N N . PRO A 1 44 ? -34.924 -71.666 -37.408 1.00 46.50 ? 90 PRO A N 1 ATOM 49 C CA . PRO A 1 44 ? -34.687 -71.711 -38.858 1.00 45.48 ? 90 PRO A CA 1 ATOM 50 C C . PRO A 1 44 ? -35.128 -70.459 -39.618 1.00 45.24 ? 90 PRO A C 1 ATOM 51 O O . PRO A 1 44 ? -34.346 -69.914 -40.414 1.00 44.63 ? 90 PRO A O 1 ATOM 52 C CB . PRO A 1 44 ? -35.492 -72.939 -39.290 1.00 45.96 ? 90 PRO A CB 1 ATOM 53 C CG . PRO A 1 44 ? -35.472 -73.825 -38.118 1.00 46.48 ? 90 PRO A CG 1 ATOM 54 C CD . PRO A 1 44 ? -35.313 -72.987 -36.879 1.00 46.64 ? 90 PRO A CD 1 ATOM 55 N N . ILE A 1 45 ? -36.360 -69.985 -39.407 1.00 45.46 ? 91 ILE A N 1 ATOM 56 C CA . ILE A 1 45 ? -36.852 -68.854 -40.195 1.00 44.72 ? 91 ILE A CA 1 ATOM 57 C C . ILE A 1 45 ? -36.091 -67.577 -39.841 1.00 42.48 ? 91 ILE A C 1 ATOM 58 O O . ILE A 1 45 ? -35.759 -66.770 -40.725 1.00 41.63 ? 91 ILE A O 1 ATOM 59 C CB . ILE A 1 45 ? -38.373 -68.681 -40.008 1.00 46.91 ? 91 ILE A CB 1 ATOM 60 C CG1 . ILE A 1 45 ? -39.134 -69.690 -40.864 1.00 49.83 ? 91 ILE A CG1 1 ATOM 61 C CG2 . ILE A 1 45 ? -38.804 -67.277 -40.390 1.00 46.27 ? 91 ILE A CG2 1 ATOM 62 C CD1 . ILE A 1 45 ? -39.282 -69.243 -42.312 1.00 50.53 ? 91 ILE A CD1 1 ATOM 63 N N . CYS A 1 46 ? -35.817 -67.370 -38.542 1.00 41.91 ? 92 CYS A N 1 ATOM 64 C CA . CYS A 1 46 ? -35.053 -66.203 -38.096 1.00 41.18 ? 92 CYS A CA 1 ATOM 65 C C . CYS A 1 46 ? -33.704 -66.149 -38.783 1.00 40.08 ? 92 CYS A C 1 ATOM 66 O O . CYS A 1 46 ? -33.276 -65.095 -39.271 1.00 38.38 ? 92 CYS A O 1 ATOM 67 C CB . CYS A 1 46 ? -34.822 -66.216 -36.578 1.00 41.82 ? 92 CYS A CB 1 ATOM 68 S SG . CYS A 1 46 ? -33.978 -64.707 -35.987 1.00 41.31 ? 92 CYS A SG 1 ATOM 69 N N . LYS A 1 47 ? -32.984 -67.267 -38.750 1.00 40.47 ? 93 LYS A N 1 ATOM 70 C CA . LYS A 1 47 ? -31.687 -67.313 -39.397 1.00 39.92 ? 93 LYS A CA 1 ATOM 71 C C . LYS A 1 47 ? -31.831 -67.103 -40.898 1.00 39.53 ? 93 LYS A C 1 ATOM 72 O O . LYS A 1 47 ? -30.995 -66.438 -41.522 1.00 39.00 ? 93 LYS A O 1 ATOM 73 C CB . LYS A 1 47 ? -30.988 -68.635 -39.079 1.00 40.54 ? 93 LYS A CB 1 ATOM 74 C CG . LYS A 1 47 ? -30.475 -68.767 -37.638 1.00 41.27 ? 93 LYS A CG 1 ATOM 75 C CD . LYS A 1 47 ? -29.333 -69.772 -37.588 1.00 42.72 ? 93 LYS A CD 1 ATOM 76 C CE . LYS A 1 47 ? -28.875 -70.066 -36.183 1.00 44.91 ? 93 LYS A CE 1 ATOM 77 N NZ . LYS A 1 47 ? -28.334 -68.854 -35.523 1.00 45.87 ? 93 LYS A NZ 1 ATOM 78 N N . GLY A 1 48 ? -32.898 -67.638 -41.490 1.00 39.60 ? 94 GLY A N 1 ATOM 79 C CA . GLY A 1 48 ? -33.140 -67.388 -42.899 1.00 38.99 ? 94 GLY A CA 1 ATOM 80 C C . GLY A 1 48 ? -33.405 -65.923 -43.189 1.00 37.41 ? 94 GLY A C 1 ATOM 81 O O . GLY A 1 48 ? -32.963 -65.392 -44.213 1.00 35.29 ? 94 GLY A O 1 ATOM 82 N N . LEU A 1 49 ? -34.124 -65.247 -42.287 1.00 37.80 ? 95 LEU A N 1 ATOM 83 C CA . LEU A 1 49 ? -34.392 -63.820 -42.458 1.00 36.70 ? 95 LEU A CA 1 ATOM 84 C C . LEU A 1 49 ? -33.095 -63.018 -42.516 1.00 34.35 ? 95 LEU A C 1 ATOM 85 O O . LEU A 1 49 ? -32.831 -62.310 -43.498 1.00 33.19 ? 95 LEU A O 1 ATOM 86 C CB . LEU A 1 49 ? -35.295 -63.311 -41.331 1.00 36.92 ? 95 LEU A CB 1 ATOM 87 C CG . LEU A 1 49 ? -36.780 -63.631 -41.480 1.00 39.98 ? 95 LEU A CG 1 ATOM 88 C CD1 . LEU A 1 49 ? -37.508 -63.334 -40.184 1.00 42.10 ? 95 LEU A CD1 1 ATOM 89 C CD2 . LEU A 1 49 ? -37.397 -62.843 -42.629 1.00 40.21 ? 95 LEU A CD2 1 ATOM 90 N N . PHE A 1 50 ? -32.261 -63.129 -41.476 1.00 33.68 ? 96 PHE A N 1 ATOM 91 C CA . PHE A 1 50 ? -31.046 -62.329 -41.415 1.00 34.66 ? 96 PHE A CA 1 ATOM 92 C C . PHE A 1 50 ? -29.974 -62.802 -42.392 1.00 37.16 ? 96 PHE A C 1 ATOM 93 O O . PHE A 1 50 ? -29.099 -62.012 -42.761 1.00 37.54 ? 96 PHE A O 1 ATOM 94 C CB . PHE A 1 50 ? -30.525 -62.297 -39.974 1.00 33.86 ? 96 PHE A CB 1 ATOM 95 C CG . PHE A 1 50 ? -31.457 -61.593 -39.029 1.00 31.29 ? 96 PHE A CG 1 ATOM 96 C CD1 . PHE A 1 50 ? -31.398 -60.214 -38.852 1.00 30.93 ? 96 PHE A CD1 1 ATOM 97 C CD2 . PHE A 1 50 ? -32.442 -62.298 -38.370 1.00 35.47 ? 96 PHE A CD2 1 ATOM 98 C CE1 . PHE A 1 50 ? -32.284 -59.573 -38.001 1.00 31.55 ? 96 PHE A CE1 1 ATOM 99 C CE2 . PHE A 1 50 ? -33.325 -61.661 -37.521 1.00 36.29 ? 96 PHE A CE2 1 ATOM 100 C CZ . PHE A 1 50 ? -33.249 -60.299 -37.337 1.00 32.70 ? 96 PHE A CZ 1 ATOM 101 N N . THR A 1 51 ? -30.035 -64.053 -42.850 1.00 38.35 ? 97 THR A N 1 ATOM 102 C CA . THR A 1 51 ? -29.168 -64.467 -43.948 1.00 37.79 ? 97 THR A CA 1 ATOM 103 C C . THR A 1 51 ? -29.545 -63.739 -45.233 1.00 39.91 ? 97 THR A C 1 ATOM 104 O O . THR A 1 51 ? -28.670 -63.270 -45.975 1.00 40.49 ? 97 THR A O 1 ATOM 105 C CB . THR A 1 51 ? -29.240 -65.987 -44.117 1.00 35.70 ? 97 THR A CB 1 ATOM 106 O OG1 . THR A 1 51 ? -28.578 -66.615 -43.013 1.00 34.70 ? 97 THR A OG1 1 ATOM 107 C CG2 . THR A 1 51 ? -28.595 -66.427 -45.424 1.00 34.12 ? 97 THR A CG2 1 ATOM 108 N N . ALA A 1 52 ? -30.845 -63.608 -45.495 1.00 41.66 ? 98 ALA A N 1 ATOM 109 C CA . ALA A 1 52 ? -31.287 -62.797 -46.619 1.00 43.33 ? 98 ALA A CA 1 ATOM 110 C C . ALA A 1 52 ? -30.973 -61.320 -46.392 1.00 43.40 ? 98 ALA A C 1 ATOM 111 O O . ALA A 1 52 ? -30.601 -60.612 -47.335 1.00 43.17 ? 98 ALA A O 1 ATOM 112 C CB . ALA A 1 52 ? -32.780 -63.012 -46.856 1.00 44.29 ? 98 ALA A CB 1 ATOM 113 N N . ILE A 1 53 ? -31.119 -60.839 -45.150 1.00 43.90 ? 99 ILE A N 1 ATOM 114 C CA . ILE A 1 53 ? -30.736 -59.465 -44.817 1.00 45.03 ? 99 ILE A CA 1 ATOM 115 C C . ILE A 1 53 ? -29.284 -59.214 -45.208 1.00 46.02 ? 99 ILE A C 1 ATOM 116 O O . ILE A 1 53 ? -28.961 -58.227 -45.882 1.00 46.64 ? 99 ILE A O 1 ATOM 117 C CB . ILE A 1 53 ? -30.950 -59.186 -43.315 1.00 45.39 ? 99 ILE A CB 1 ATOM 118 C CG1 . ILE A 1 53 ? -32.425 -59.284 -42.894 1.00 45.85 ? 99 ILE A CG1 1 ATOM 119 C CG2 . ILE A 1 53 ? -30.356 -57.830 -42.931 1.00 44.83 ? 99 ILE A CG2 1 ATOM 120 C CD1 . ILE A 1 53 ? -33.368 -58.704 -43.876 1.00 47.23 ? 99 ILE A CD1 1 ATOM 121 N N . ASN A 1 54 ? -28.388 -60.110 -44.773 1.00 46.16 ? 100 ASN A N 1 ATOM 122 C CA . ASN A 1 54 ? -26.959 -59.974 -45.046 1.00 46.89 ? 100 ASN A CA 1 ATOM 123 C C . ASN A 1 54 ? -26.684 -59.867 -46.545 1.00 46.32 ? 100 ASN A C 1 ATOM 124 O O . ASN A 1 54 ? -25.973 -58.960 -46.990 1.00 47.09 ? 100 ASN A O 1 ATOM 125 C CB . ASN A 1 54 ? -26.211 -61.164 -44.436 1.00 50.78 ? 100 ASN A CB 1 ATOM 126 C CG . ASN A 1 54 ? -24.700 -61.105 -44.670 1.00 56.20 ? 100 ASN A CG 1 ATOM 127 O OD1 . ASN A 1 54 ? -23.945 -60.561 -43.853 1.00 56.04 ? 100 ASN A OD1 1 ATOM 128 N ND2 . ASN A 1 54 ? -24.253 -61.681 -45.782 1.00 58.92 ? 100 ASN A ND2 1 ATOM 129 N N . LEU A 1 55 ? -27.247 -60.782 -47.341 1.00 45.69 ? 101 LEU A N 1 ATOM 130 C CA . LEU A 1 55 ? -26.996 -60.779 -48.782 1.00 46.60 ? 101 LEU A CA 1 ATOM 131 C C . LEU A 1 55 ? -27.528 -59.516 -49.446 1.00 46.06 ? 101 LEU A C 1 ATOM 132 O O . LEU A 1 55 ? -26.889 -58.966 -50.352 1.00 46.91 ? 101 LEU A O 1 ATOM 133 C CB . LEU A 1 55 ? -27.625 -62.013 -49.434 1.00 48.41 ? 101 LEU A CB 1 ATOM 134 C CG . LEU A 1 55 ? -27.038 -63.380 -49.077 1.00 48.51 ? 101 LEU A CG 1 ATOM 135 C CD1 . LEU A 1 55 ? -27.739 -64.477 -49.855 1.00 49.40 ? 101 LEU A CD1 1 ATOM 136 C CD2 . LEU A 1 55 ? -25.529 -63.396 -49.335 1.00 48.98 ? 101 LEU A CD2 1 ATOM 137 N N . GLY A 1 56 ? -28.712 -59.060 -49.034 1.00 45.01 ? 102 GLY A N 1 ATOM 138 C CA . GLY A 1 56 ? -29.259 -57.841 -49.602 1.00 45.14 ? 102 GLY A CA 1 ATOM 139 C C . GLY A 1 56 ? -28.409 -56.622 -49.297 1.00 45.60 ? 102 GLY A C 1 ATOM 140 O O . GLY A 1 56 ? -28.204 -55.764 -50.162 1.00 47.38 ? 102 GLY A O 1 ATOM 141 N N . LEU A 1 57 ? -27.887 -56.529 -48.074 1.00 43.92 ? 103 LEU A N 1 ATOM 142 C CA . LEU A 1 57 ? -27.149 -55.327 -47.700 1.00 43.36 ? 103 LEU A CA 1 ATOM 143 C C . LEU A 1 57 ? -25.755 -55.265 -48.308 1.00 44.71 ? 103 LEU A C 1 ATOM 144 O O . LEU A 1 57 ? -25.095 -54.229 -48.187 1.00 45.15 ? 103 LEU A O 1 ATOM 145 C CB . LEU A 1 57 ? -27.066 -55.210 -46.179 1.00 40.82 ? 103 LEU A CB 1 ATOM 146 C CG . LEU A 1 57 ? -28.417 -54.932 -45.512 1.00 40.12 ? 103 LEU A CG 1 ATOM 147 C CD1 . LEU A 1 57 ? -28.278 -54.918 -44.005 1.00 40.15 ? 103 LEU A CD1 1 ATOM 148 C CD2 . LEU A 1 57 ? -29.012 -53.621 -45.998 1.00 39.88 ? 103 LEU A CD2 1 ATOM 149 N N . LYS A 1 58 ? -25.289 -56.337 -48.951 1.00 45.65 ? 104 LYS A N 1 ATOM 150 C CA . LYS A 1 58 ? -24.043 -56.271 -49.701 1.00 47.35 ? 104 LYS A CA 1 ATOM 151 C C . LYS A 1 58 ? -24.207 -55.529 -51.018 1.00 48.85 ? 104 LYS A C 1 ATOM 152 O O . LYS A 1 58 ? -23.215 -55.053 -51.572 1.00 50.49 ? 104 LYS A O 1 ATOM 153 C CB . LYS A 1 58 ? -23.505 -57.675 -49.985 1.00 49.40 ? 104 LYS A CB 1 ATOM 154 C CG . LYS A 1 58 ? -22.886 -58.390 -48.806 1.00 50.31 ? 104 LYS A CG 1 ATOM 155 C CD . LYS A 1 58 ? -22.188 -59.665 -49.267 1.00 53.81 ? 104 LYS A CD 1 ATOM 156 C CE . LYS A 1 58 ? -21.410 -60.317 -48.123 1.00 55.85 ? 104 LYS A CE 1 ATOM 157 N NZ . LYS A 1 58 ? -20.450 -61.384 -48.564 1.00 58.93 ? 104 LYS A NZ 1 ATOM 158 N N . LYS A 1 59 ? -25.431 -55.429 -51.529 1.00 49.40 ? 105 LYS A N 1 ATOM 159 C CA . LYS A 1 59 ? -25.691 -54.773 -52.805 1.00 50.85 ? 105 LYS A CA 1 ATOM 160 C C . LYS A 1 59 ? -25.631 -53.262 -52.620 1.00 51.62 ? 105 LYS A C 1 ATOM 161 O O . LYS A 1 59 ? -26.336 -52.707 -51.768 1.00 50.43 ? 105 LYS A O 1 ATOM 162 C CB . LYS A 1 59 ? -27.050 -55.207 -53.357 1.00 50.35 ? 105 LYS A CB 1 ATOM 163 C CG . LYS A 1 59 ? -27.027 -56.570 -54.035 1.00 51.55 ? 105 LYS A CG 1 ATOM 164 C CD . LYS A 1 59 ? -28.194 -57.439 -53.631 1.00 51.70 ? 105 LYS A CD 1 ATOM 165 C CE . LYS A 1 59 ? -28.737 -58.217 -54.829 1.00 55.47 ? 105 LYS A CE 1 ATOM 166 N NZ . LYS A 1 59 ? -29.798 -59.202 -54.438 1.00 56.12 ? 105 LYS A NZ 1 ATOM 167 N N . GLU A 1 60 ? -24.791 -52.600 -53.419 1.00 53.88 ? 106 GLU A N 1 ATOM 168 C CA . GLU A 1 60 ? -24.623 -51.156 -53.284 1.00 54.62 ? 106 GLU A CA 1 ATOM 169 C C . GLU A 1 60 ? -25.917 -50.369 -53.481 1.00 53.50 ? 106 GLU A C 1 ATOM 170 O O . GLU A 1 60 ? -26.111 -49.378 -52.753 1.00 52.67 ? 106 GLU A O 1 ATOM 171 C CB . GLU A 1 60 ? -23.528 -50.663 -54.244 1.00 59.58 ? 106 GLU A CB 1 ATOM 172 C CG . GLU A 1 60 ? -23.021 -49.238 -53.948 1.00 63.03 ? 106 GLU A CG 1 ATOM 173 C CD . GLU A 1 60 ? -22.398 -49.080 -52.544 1.00 62.09 ? 106 GLU A CD 1 ATOM 174 O OE1 . GLU A 1 60 ? -22.033 -50.105 -51.916 1.00 61.67 ? 106 GLU A OE1 1 ATOM 175 O OE2 . GLU A 1 60 ? -22.272 -47.926 -52.062 1.00 61.30 ? 106 GLU A OE2 1 ATOM 176 N N . PRO A 1 61 ? -26.819 -50.716 -54.410 1.00 53.82 ? 107 PRO A N 1 ATOM 177 C CA . PRO A 1 61 ? -28.101 -49.991 -54.456 1.00 53.98 ? 107 PRO A CA 1 ATOM 178 C C . PRO A 1 61 ? -28.927 -50.154 -53.189 1.00 53.78 ? 107 PRO A C 1 ATOM 179 O O . PRO A 1 61 ? -29.710 -49.253 -52.847 1.00 52.49 ? 107 PRO A O 1 ATOM 180 C CB . PRO A 1 61 ? -28.802 -50.590 -55.684 1.00 54.97 ? 107 PRO A CB 1 ATOM 181 C CG . PRO A 1 61 ? -28.085 -51.864 -55.970 1.00 55.08 ? 107 PRO A CG 1 ATOM 182 C CD . PRO A 1 61 ? -26.676 -51.623 -55.563 1.00 55.00 ? 107 PRO A CD 1 ATOM 183 N N . ASN A 1 62 ? -28.774 -51.274 -52.475 1.00 55.53 ? 108 ASN A N 1 ATOM 184 C CA . ASN A 1 62 ? -29.403 -51.396 -51.164 1.00 57.39 ? 108 ASN A CA 1 ATOM 185 C C . ASN A 1 62 ? -28.748 -50.468 -50.155 1.00 51.67 ? 108 ASN A C 1 ATOM 186 O O . ASN A 1 62 ? -29.434 -49.874 -49.313 1.00 48.40 ? 108 ASN A O 1 ATOM 187 C CB . ASN A 1 62 ? -29.326 -52.832 -50.661 1.00 64.67 ? 108 ASN A CB 1 ATOM 188 C CG . ASN A 1 62 ? -30.296 -53.751 -51.363 1.00 73.08 ? 108 ASN A CG 1 ATOM 189 O OD1 . ASN A 1 62 ? -31.377 -53.341 -51.767 1.00 76.60 ? 108 ASN A OD1 1 ATOM 190 N ND2 . ASN A 1 62 ? -29.910 -55.006 -51.517 1.00 76.80 ? 108 ASN A ND2 1 ATOM 191 N N . VAL A 1 63 ? -27.417 -50.358 -50.206 1.00 49.51 ? 109 VAL A N 1 ATOM 192 C CA . VAL A 1 63 ? -26.714 -49.439 -49.316 1.00 46.43 ? 109 VAL A CA 1 ATOM 193 C C . VAL A 1 63 ? -27.160 -48.009 -49.580 1.00 48.51 ? 109 VAL A C 1 ATOM 194 O O . VAL A 1 63 ? -27.357 -47.220 -48.645 1.00 48.51 ? 109 VAL A O 1 ATOM 195 C CB . VAL A 1 63 ? -25.187 -49.599 -49.468 1.00 43.62 ? 109 VAL A CB 1 ATOM 196 C CG1 . VAL A 1 63 ? -24.449 -48.523 -48.675 1.00 41.82 ? 109 VAL A CG1 1 ATOM 197 C CG2 . VAL A 1 63 ? -24.743 -50.996 -49.032 1.00 41.89 ? 109 VAL A CG2 1 ATOM 198 N N . ALA A 1 64 ? -27.334 -47.653 -50.856 1.00 51.18 ? 110 ALA A N 1 ATOM 199 C CA . ALA A 1 64 ? -27.777 -46.303 -51.182 1.00 52.93 ? 110 ALA A CA 1 ATOM 200 C C . ALA A 1 64 ? -29.175 -46.049 -50.641 1.00 51.90 ? 110 ALA A C 1 ATOM 201 O O . ALA A 1 64 ? -29.464 -44.955 -50.136 1.00 50.99 ? 110 ALA A O 1 ATOM 202 C CB . ALA A 1 64 ? -27.729 -46.086 -52.692 1.00 55.88 ? 110 ALA A CB 1 ATOM 203 N N . ARG A 1 65 ? -30.052 -47.062 -50.730 1.00 52.12 ? 111 ARG A N 1 ATOM 204 C CA . ARG A 1 65 ? -31.372 -46.981 -50.111 1.00 52.93 ? 111 ARG A CA 1 ATOM 205 C C . ARG A 1 65 ? -31.263 -46.682 -48.617 1.00 48.11 ? 111 ARG A C 1 ATOM 206 O O . ARG A 1 65 ? -31.977 -45.815 -48.096 1.00 46.40 ? 111 ARG A O 1 ATOM 207 C CB . ARG A 1 65 ? -32.149 -48.282 -50.361 1.00 58.09 ? 111 ARG A CB 1 ATOM 208 C CG . ARG A 1 65 ? -33.077 -48.221 -51.597 1.00 65.64 ? 111 ARG A CG 1 ATOM 209 C CD . ARG A 1 65 ? -34.065 -49.399 -51.694 1.00 71.01 ? 111 ARG A CD 1 ATOM 210 N NE . ARG A 1 65 ? -34.019 -50.095 -52.986 1.00 78.10 ? 111 ARG A NE 1 ATOM 211 C CZ . ARG A 1 65 ? -33.196 -51.111 -53.250 1.00 81.51 ? 111 ARG A CZ 1 ATOM 212 N NH1 . ARG A 1 65 ? -32.337 -51.510 -52.321 1.00 81.76 ? 111 ARG A NH1 1 ATOM 213 N NH2 . ARG A 1 65 ? -33.210 -51.710 -54.437 1.00 83.54 ? 111 ARG A NH2 1 ATOM 214 N N . VAL A 1 66 ? -30.369 -47.384 -47.914 1.00 45.78 ? 112 VAL A N 1 ATOM 215 C CA . VAL A 1 66 ? -30.120 -47.092 -46.502 1.00 43.92 ? 112 VAL A CA 1 ATOM 216 C C . VAL A 1 66 ? -29.713 -45.633 -46.321 1.00 44.91 ? 112 VAL A C 1 ATOM 217 O O . VAL A 1 66 ? -30.221 -44.933 -45.435 1.00 45.08 ? 112 VAL A O 1 ATOM 218 C CB . VAL A 1 66 ? -29.053 -48.049 -45.937 1.00 42.24 ? 112 VAL A CB 1 ATOM 219 C CG1 . VAL A 1 66 ? -28.870 -47.840 -44.431 1.00 40.45 ? 112 VAL A CG1 1 ATOM 220 C CG2 . VAL A 1 66 ? -29.443 -49.486 -46.231 1.00 41.91 ? 112 VAL A CG2 1 ATOM 221 N N . GLY A 1 67 ? -28.805 -45.150 -47.171 1.00 45.10 ? 113 GLY A N 1 ATOM 222 C CA . GLY A 1 67 ? -28.331 -43.784 -47.031 1.00 44.57 ? 113 GLY A CA 1 ATOM 223 C C . GLY A 1 67 ? -29.409 -42.745 -47.272 1.00 44.88 ? 113 GLY A C 1 ATOM 224 O O . GLY A 1 67 ? -29.449 -41.719 -46.590 1.00 45.60 ? 113 GLY A O 1 ATOM 225 N N . SER A 1 68 ? -30.302 -42.997 -48.235 1.00 45.41 ? 114 SER A N 1 ATOM 226 C CA . SER A 1 68 ? -31.303 -41.999 -48.615 1.00 47.42 ? 114 SER A CA 1 ATOM 227 C C . SER A 1 68 ? -32.300 -41.745 -47.492 1.00 45.64 ? 114 SER A C 1 ATOM 228 O O . SER A 1 68 ? -32.599 -40.591 -47.158 1.00 44.95 ? 114 SER A O 1 ATOM 229 C CB . SER A 1 68 ? -32.042 -42.451 -49.872 1.00 51.11 ? 114 SER A CB 1 ATOM 230 O OG . SER A 1 68 ? -31.142 -42.633 -50.946 1.00 54.01 ? 114 SER A OG 1 ATOM 231 N N . VAL A 1 69 ? -32.867 -42.818 -46.934 1.00 44.69 ? 115 VAL A N 1 ATOM 232 C CA . VAL A 1 69 ? -33.761 -42.675 -45.790 1.00 44.45 ? 115 VAL A CA 1 ATOM 233 C C . VAL A 1 69 ? -33.031 -42.010 -44.633 1.00 43.10 ? 115 VAL A C 1 ATOM 234 O O . VAL A 1 69 ? -33.565 -41.108 -43.978 1.00 44.17 ? 115 VAL A O 1 ATOM 235 C CB . VAL A 1 69 ? -34.345 -44.047 -45.397 1.00 44.79 ? 115 VAL A CB 1 ATOM 236 C CG1 . VAL A 1 69 ? -35.135 -43.956 -44.095 1.00 44.95 ? 115 VAL A CG1 1 ATOM 237 C CG2 . VAL A 1 69 ? -35.209 -44.588 -46.522 1.00 46.40 ? 115 VAL A CG2 1 ATOM 238 N N . ALA A 1 70 ? -31.790 -42.425 -44.385 1.00 40.78 ? 116 ALA A N 1 ATOM 239 C CA . ALA A 1 70 ? -31.041 -41.879 -43.264 1.00 40.65 ? 116 ALA A CA 1 ATOM 240 C C . ALA A 1 70 ? -30.846 -40.377 -43.420 1.00 42.44 ? 116 ALA A C 1 ATOM 241 O O . ALA A 1 70 ? -30.900 -39.633 -42.434 1.00 42.70 ? 116 ALA A O 1 ATOM 242 C CB . ALA A 1 70 ? -29.693 -42.592 -43.132 1.00 39.97 ? 116 ALA A CB 1 ATOM 243 N N . ILE A 1 71 ? -30.648 -39.912 -44.658 1.00 43.44 ? 117 ILE A N 1 ATOM 244 C CA . ILE A 1 71 ? -30.444 -38.487 -44.904 1.00 44.46 ? 117 ILE A CA 1 ATOM 245 C C . ILE A 1 71 ? -31.728 -37.712 -44.652 1.00 46.50 ? 117 ILE A C 1 ATOM 246 O O . ILE A 1 71 ? -31.711 -36.622 -44.060 1.00 46.88 ? 117 ILE A O 1 ATOM 247 C CB . ILE A 1 71 ? -29.929 -38.264 -46.336 1.00 45.22 ? 117 ILE A CB 1 ATOM 248 C CG1 . ILE A 1 71 ? -28.484 -38.758 -46.451 1.00 45.05 ? 117 ILE A CG1 1 ATOM 249 C CG2 . ILE A 1 71 ? -30.017 -36.796 -46.732 1.00 40.35 ? 117 ILE A CG2 1 ATOM 250 C CD1 . ILE A 1 71 ? -28.000 -38.942 -47.866 1.00 46.47 ? 117 ILE A CD1 1 ATOM 251 N N . LYS A 1 72 ? -32.865 -38.270 -45.073 1.00 48.41 ? 118 LYS A N 1 ATOM 252 C CA . LYS A 1 72 ? -34.128 -37.576 -44.868 1.00 51.36 ? 118 LYS A CA 1 ATOM 253 C C . LYS A 1 72 ? -34.462 -37.476 -43.387 1.00 51.64 ? 118 LYS A C 1 ATOM 254 O O . LYS A 1 72 ? -34.996 -36.460 -42.935 1.00 53.12 ? 118 LYS A O 1 ATOM 255 C CB . LYS A 1 72 ? -35.232 -38.272 -45.662 1.00 53.60 ? 118 LYS A CB 1 ATOM 256 C CG . LYS A 1 72 ? -35.126 -38.018 -47.177 1.00 56.83 ? 118 LYS A CG 1 ATOM 257 C CD . LYS A 1 72 ? -34.197 -36.803 -47.498 1.00 58.50 ? 118 LYS A CD 1 ATOM 258 C CE . LYS A 1 72 ? -33.933 -36.638 -48.993 1.00 60.30 ? 118 LYS A CE 1 ATOM 259 N NZ . LYS A 1 72 ? -33.148 -35.413 -49.327 1.00 60.79 ? 118 LYS A NZ 1 ATOM 260 N N . LEU A 1 73 ? -34.114 -38.496 -42.605 1.00 50.60 ? 119 LEU A N 1 ATOM 261 C CA . LEU A 1 73 ? -34.285 -38.387 -41.161 1.00 51.81 ? 119 LEU A CA 1 ATOM 262 C C . LEU A 1 73 ? -33.299 -37.400 -40.556 1.00 51.79 ? 119 LEU A C 1 ATOM 263 O O . LEU A 1 73 ? -33.638 -36.694 -39.596 1.00 51.80 ? 119 LEU A O 1 ATOM 264 C CB . LEU A 1 73 ? -34.135 -39.756 -40.506 1.00 52.20 ? 119 LEU A CB 1 ATOM 265 C CG . LEU A 1 73 ? -35.332 -40.649 -40.779 1.00 54.77 ? 119 LEU A CG 1 ATOM 266 C CD1 . LEU A 1 73 ? -35.088 -42.041 -40.231 1.00 54.36 ? 119 LEU A CD1 1 ATOM 267 C CD2 . LEU A 1 73 ? -36.583 -40.022 -40.165 1.00 57.03 ? 119 LEU A CD2 1 ATOM 268 N N . CYS A 1 74 ? -32.075 -37.350 -41.097 1.00 50.15 ? 120 CYS A N 1 ATOM 269 C CA . CYS A 1 74 ? -31.106 -36.338 -40.689 1.00 49.28 ? 120 CYS A CA 1 ATOM 270 C C . CYS A 1 74 ? -31.650 -34.942 -40.942 1.00 52.20 ? 120 CYS A C 1 ATOM 271 O O . CYS A 1 74 ? -31.506 -34.049 -40.099 1.00 53.86 ? 120 CYS A O 1 ATOM 272 C CB . CYS A 1 74 ? -29.792 -36.548 -41.442 1.00 47.17 ? 120 CYS A CB 1 ATOM 273 S SG . CYS A 1 74 ? -28.416 -35.482 -40.947 1.00 46.62 ? 120 CYS A SG 1 ATOM 274 N N . ASN A 1 75 ? -32.288 -34.737 -42.097 1.00 53.82 ? 121 ASN A N 1 ATOM 275 C CA . ASN A 1 75 ? -32.886 -33.437 -42.381 1.00 56.26 ? 121 ASN A CA 1 ATOM 276 C C . ASN A 1 75 ? -34.119 -33.204 -41.525 1.00 59.19 ? 121 ASN A C 1 ATOM 277 O O . ASN A 1 75 ? -34.341 -32.090 -41.041 1.00 60.67 ? 121 ASN A O 1 ATOM 278 C CB . ASN A 1 75 ? -33.237 -33.328 -43.860 1.00 56.20 ? 121 ASN A CB 1 ATOM 279 C CG . ASN A 1 75 ? -32.013 -33.222 -44.735 1.00 56.02 ? 121 ASN A CG 1 ATOM 280 O OD1 . ASN A 1 75 ? -31.043 -32.546 -44.382 1.00 56.49 ? 121 ASN A OD1 1 ATOM 281 N ND2 . ASN A 1 75 ? -32.038 -33.902 -45.876 1.00 55.90 ? 121 ASN A ND2 1 ATOM 282 N N . LEU A 1 76 ? -34.925 -34.246 -41.321 1.00 60.62 ? 122 LEU A N 1 ATOM 283 C CA . LEU A 1 76 ? -36.161 -34.088 -40.564 1.00 63.41 ? 122 LEU A CA 1 ATOM 284 C C . LEU A 1 76 ? -35.870 -33.766 -39.107 1.00 64.61 ? 122 LEU A C 1 ATOM 285 O O . LEU A 1 76 ? -36.475 -32.858 -38.530 1.00 66.33 ? 122 LEU A O 1 ATOM 286 C CB . LEU A 1 76 ? -37.014 -35.350 -40.676 1.00 63.18 ? 122 LEU A CB 1 ATOM 287 C CG . LEU A 1 76 ? -38.517 -35.068 -40.619 1.00 65.40 ? 122 LEU A CG 1 ATOM 288 C CD1 . LEU A 1 76 ? -38.944 -34.166 -41.780 1.00 66.58 ? 122 LEU A CD1 1 ATOM 289 C CD2 . LEU A 1 76 ? -39.311 -36.367 -40.603 1.00 65.94 ? 122 LEU A CD2 1 ATOM 290 N N . LEU A 1 77 ? -34.948 -34.500 -38.498 1.00 64.35 ? 123 LEU A N 1 ATOM 291 C CA . LEU A 1 77 ? -34.530 -34.226 -37.133 1.00 65.81 ? 123 LEU A CA 1 ATOM 292 C C . LEU A 1 77 ? -33.570 -33.046 -37.044 1.00 65.46 ? 123 LEU A C 1 ATOM 293 O O . LEU A 1 77 ? -32.926 -32.875 -36.004 1.00 65.46 ? 123 LEU A O 1 ATOM 294 C CB . LEU A 1 77 ? -33.898 -35.482 -36.517 1.00 66.80 ? 123 LEU A CB 1 ATOM 295 C CG . LEU A 1 77 ? -34.772 -36.751 -36.550 1.00 68.81 ? 123 LEU A CG 1 ATOM 296 C CD1 . LEU A 1 77 ? -34.126 -37.927 -35.806 1.00 69.09 ? 123 LEU A CD1 1 ATOM 297 C CD2 . LEU A 1 77 ? -36.174 -36.479 -36.010 1.00 70.22 ? 123 LEU A CD2 1 ATOM 298 N N . LYS A 1 78 ? -33.469 -32.245 -38.109 1.00 65.56 ? 124 LYS A N 1 ATOM 299 C CA . LYS A 1 78 ? -32.649 -31.035 -38.164 1.00 65.16 ? 124 LYS A CA 1 ATOM 300 C C . LYS A 1 78 ? -31.314 -31.203 -37.446 1.00 63.92 ? 124 LYS A C 1 ATOM 301 O O . LYS A 1 78 ? -30.865 -30.294 -36.738 1.00 65.40 ? 124 LYS A O 1 ATOM 302 C CB . LYS A 1 78 ? -33.418 -29.844 -37.582 1.00 66.46 ? 124 LYS A CB 1 ATOM 303 C CG . LYS A 1 78 ? -34.794 -29.605 -38.208 1.00 67.77 ? 124 LYS A CG 1 ATOM 304 C CD . LYS A 1 78 ? -35.860 -29.395 -37.130 1.00 69.47 ? 124 LYS A CD 1 ATOM 305 C CE . LYS A 1 78 ? -37.199 -28.974 -37.717 1.00 71.21 ? 124 LYS A CE 1 ATOM 306 N NZ . LYS A 1 78 ? -37.131 -27.634 -38.362 1.00 72.62 ? 124 LYS A NZ 1 ATOM 307 N N . ILE A 1 79 ? -30.680 -32.367 -37.624 1.00 60.84 ? 125 ILE A N 1 ATOM 308 C CA . ILE A 1 79 ? -29.388 -32.637 -36.996 1.00 58.71 ? 125 ILE A CA 1 ATOM 309 C C . ILE A 1 79 ? -28.338 -31.651 -37.491 1.00 57.72 ? 125 ILE A C 1 ATOM 310 O O . ILE A 1 79 ? -27.503 -31.168 -36.713 1.00 59.61 ? 125 ILE A O 1 ATOM 311 C CB . ILE A 1 79 ? -28.967 -34.095 -37.269 1.00 58.25 ? 125 ILE A CB 1 ATOM 312 C CG1 . ILE A 1 79 ? -30.003 -35.070 -36.698 1.00 58.31 ? 125 ILE A CG1 1 ATOM 313 C CG2 . ILE A 1 79 ? -27.574 -34.369 -36.718 1.00 57.67 ? 125 ILE A CG2 1 ATOM 314 C CD1 . ILE A 1 79 ? -29.702 -36.528 -36.986 1.00 57.30 ? 125 ILE A CD1 1 ATOM 315 N N . ALA A 1 80 ? -28.372 -31.332 -38.784 1.00 55.48 ? 126 ALA A N 1 ATOM 316 C CA . ALA A 1 80 ? -27.385 -30.469 -39.426 1.00 54.02 ? 126 ALA A CA 1 ATOM 317 C C . ALA A 1 80 ? -28.008 -29.909 -40.700 1.00 54.30 ? 126 ALA A C 1 ATOM 318 O O . ALA A 1 80 ? -29.084 -30.357 -41.120 1.00 53.97 ? 126 ALA A O 1 ATOM 319 C CB . ALA A 1 80 ? -26.093 -31.247 -39.741 1.00 52.59 ? 126 ALA A CB 1 ATOM 320 N N . PRO A 1 81 ? -27.363 -28.927 -41.335 1.00 56.54 ? 127 PRO A N 1 ATOM 321 C CA . PRO A 1 81 ? -27.807 -28.463 -42.677 1.00 57.51 ? 127 PRO A CA 1 ATOM 322 C C . PRO A 1 81 ? -27.934 -29.606 -43.669 1.00 56.01 ? 127 PRO A C 1 ATOM 323 O O . PRO A 1 81 ? -27.223 -30.618 -43.562 1.00 54.24 ? 127 PRO A O 1 ATOM 324 C CB . PRO A 1 81 ? -26.690 -27.494 -43.094 1.00 59.17 ? 127 PRO A CB 1 ATOM 325 C CG . PRO A 1 81 ? -26.176 -26.969 -41.803 1.00 59.60 ? 127 PRO A CG 1 ATOM 326 C CD . PRO A 1 81 ? -26.290 -28.076 -40.792 1.00 57.89 ? 127 PRO A CD 1 ATOM 327 N N . PRO A 1 82 ? -28.824 -29.478 -44.668 1.00 45.50 ? 128 PRO A N 1 ATOM 328 C CA . PRO A 1 82 ? -28.992 -30.576 -45.643 1.00 45.73 ? 128 PRO A CA 1 ATOM 329 C C . PRO A 1 82 ? -27.711 -30.962 -46.359 1.00 46.55 ? 128 PRO A C 1 ATOM 330 O O . PRO A 1 82 ? -27.502 -32.149 -46.643 1.00 50.12 ? 128 PRO A O 1 ATOM 331 C CB . PRO A 1 82 ? -30.044 -30.027 -46.624 1.00 45.70 ? 128 PRO A CB 1 ATOM 332 C CG . PRO A 1 82 ? -30.011 -28.548 -46.447 1.00 46.17 ? 128 PRO A CG 1 ATOM 333 C CD . PRO A 1 82 ? -29.707 -28.342 -44.978 1.00 45.68 ? 128 PRO A CD 1 ATOM 334 N N . ALA A 1 83 ? -26.846 -29.992 -46.663 1.00 45.55 ? 129 ALA A N 1 ATOM 335 C CA . ALA A 1 83 ? -25.569 -30.311 -47.292 1.00 43.49 ? 129 ALA A CA 1 ATOM 336 C C . ALA A 1 83 ? -24.753 -31.258 -46.422 1.00 40.09 ? 129 ALA A C 1 ATOM 337 O O . ALA A 1 83 ? -24.252 -32.280 -46.900 1.00 39.59 ? 129 ALA A O 1 ATOM 338 C CB . ALA A 1 83 ? -24.795 -29.027 -47.575 1.00 44.39 ? 129 ALA A CB 1 ATOM 339 N N . VAL A 1 84 ? -24.627 -30.943 -45.131 1.00 38.46 ? 130 VAL A N 1 ATOM 340 C CA . VAL A 1 84 ? -23.870 -31.800 -44.220 1.00 37.56 ? 130 VAL A CA 1 ATOM 341 C C . VAL A 1 84 ? -24.561 -33.149 -44.043 1.00 38.36 ? 130 VAL A C 1 ATOM 342 O O . VAL A 1 84 ? -23.902 -34.196 -44.006 1.00 37.90 ? 130 VAL A O 1 ATOM 343 C CB . VAL A 1 84 ? -23.664 -31.095 -42.866 1.00 36.18 ? 130 VAL A CB 1 ATOM 344 C CG1 . VAL A 1 84 ? -23.038 -32.046 -41.860 1.00 29.37 ? 130 VAL A CG1 1 ATOM 345 C CG2 . VAL A 1 84 ? -22.801 -29.860 -43.030 1.00 34.56 ? 130 VAL A CG2 1 ATOM 346 N N . CYS A 1 85 ? -25.889 -33.148 -43.913 1.00 39.66 ? 131 CYS A N 1 ATOM 347 C CA . CYS A 1 85 ? -26.607 -34.404 -43.719 1.00 41.11 ? 131 CYS A CA 1 ATOM 348 C C . CYS A 1 85 ? -26.300 -35.383 -44.844 1.00 43.57 ? 131 CYS A C 1 ATOM 349 O O . CYS A 1 85 ? -25.897 -36.527 -44.601 1.00 42.89 ? 131 CYS A O 1 ATOM 350 C CB . CYS A 1 85 ? -28.111 -34.140 -43.624 1.00 40.89 ? 131 CYS A CB 1 ATOM 351 S SG . CYS A 1 85 ? -28.692 -33.746 -41.969 1.00 39.57 ? 131 CYS A SG 1 ATOM 352 N N . GLN A 1 86 ? -26.443 -34.928 -46.089 1.00 46.61 ? 132 GLN A N 1 ATOM 353 C CA . GLN A 1 86 ? -26.194 -35.795 -47.235 1.00 47.54 ? 132 GLN A CA 1 ATOM 354 C C . GLN A 1 86 ? -24.730 -36.222 -47.317 1.00 46.40 ? 132 GLN A C 1 ATOM 355 O O . GLN A 1 86 ? -24.442 -37.390 -47.599 1.00 45.93 ? 132 GLN A O 1 ATOM 356 C CB . GLN A 1 86 ? -26.630 -35.096 -48.520 1.00 51.08 ? 132 GLN A CB 1 ATOM 357 C CG . GLN A 1 86 ? -25.771 -35.403 -49.715 1.00 55.23 ? 132 GLN A CG 1 ATOM 358 C CD . GLN A 1 86 ? -26.377 -34.883 -51.001 1.00 60.30 ? 132 GLN A CD 1 ATOM 359 O OE1 . GLN A 1 86 ? -27.290 -34.052 -50.974 1.00 63.22 ? 132 GLN A OE1 1 ATOM 360 N NE2 . GLN A 1 86 ? -25.861 -35.363 -52.134 1.00 60.63 ? 132 GLN A NE2 1 ATOM 361 N N . SER A 1 87 ? -23.789 -35.305 -47.069 1.00 43.68 ? 133 SER A N 1 ATOM 362 C CA . SER A 1 87 ? -22.377 -35.654 -47.217 1.00 40.87 ? 133 SER A CA 1 ATOM 363 C C . SER A 1 87 ? -21.950 -36.689 -46.192 1.00 38.05 ? 133 SER A C 1 ATOM 364 O O . SER A 1 87 ? -21.249 -37.654 -46.522 1.00 37.65 ? 133 SER A O 1 ATOM 365 C CB . SER A 1 87 ? -21.494 -34.415 -47.093 1.00 41.01 ? 133 SER A CB 1 ATOM 366 O OG . SER A 1 87 ? -22.034 -33.336 -47.817 1.00 44.05 ? 133 SER A OG 1 ATOM 367 N N . ILE A 1 88 ? -22.342 -36.493 -44.932 1.00 36.50 ? 134 ILE A N 1 ATOM 368 C CA . ILE A 1 88 ? -21.823 -37.357 -43.879 1.00 35.25 ? 134 ILE A CA 1 ATOM 369 C C . ILE A 1 88 ? -22.429 -38.753 -43.976 1.00 35.30 ? 134 ILE A C 1 ATOM 370 O O . ILE A 1 88 ? -21.752 -39.749 -43.694 1.00 35.11 ? 134 ILE A O 1 ATOM 371 C CB . ILE A 1 88 ? -22.056 -36.716 -42.497 1.00 32.66 ? 134 ILE A CB 1 ATOM 372 C CG1 . ILE A 1 88 ? -21.259 -37.457 -41.424 1.00 31.20 ? 134 ILE A CG1 1 ATOM 373 C CG2 . ILE A 1 88 ? -23.530 -36.698 -42.151 1.00 31.70 ? 134 ILE A CG2 1 ATOM 374 C CD1 . ILE A 1 88 ? -21.203 -36.730 -40.092 1.00 29.94 ? 134 ILE A CD1 1 ATOM 375 N N . VAL A 1 89 ? -23.691 -38.862 -44.393 1.00 35.11 ? 135 VAL A N 1 ATOM 376 C CA . VAL A 1 89 ? -24.269 -40.190 -44.559 1.00 36.15 ? 135 VAL A CA 1 ATOM 377 C C . VAL A 1 89 ? -23.591 -40.922 -45.711 1.00 37.29 ? 135 VAL A C 1 ATOM 378 O O . VAL A 1 89 ? -23.217 -42.095 -45.585 1.00 37.90 ? 135 VAL A O 1 ATOM 379 C CB . VAL A 1 89 ? -25.793 -40.095 -44.746 1.00 36.02 ? 135 VAL A CB 1 ATOM 380 C CG1 . VAL A 1 89 ? -26.359 -41.431 -45.190 1.00 36.52 ? 135 VAL A CG1 1 ATOM 381 C CG2 . VAL A 1 89 ? -26.447 -39.660 -43.451 1.00 34.39 ? 135 VAL A CG2 1 ATOM 382 N N . HIS A 1 90 ? -23.378 -40.235 -46.833 1.00 37.47 ? 136 HIS A N 1 ATOM 383 C CA . HIS A 1 90 ? -22.685 -40.860 -47.955 1.00 38.29 ? 136 HIS A CA 1 ATOM 384 C C . HIS A 1 90 ? -21.281 -41.306 -47.562 1.00 37.51 ? 136 HIS A C 1 ATOM 385 O O . HIS A 1 90 ? -20.822 -42.380 -47.974 1.00 37.83 ? 136 HIS A O 1 ATOM 386 C CB . HIS A 1 90 ? -22.639 -39.899 -49.142 1.00 40.08 ? 136 HIS A CB 1 ATOM 387 C CG . HIS A 1 90 ? -23.969 -39.703 -49.800 1.00 43.31 ? 136 HIS A CG 1 ATOM 388 N ND1 . HIS A 1 90 ? -24.318 -38.544 -50.460 1.00 44.65 ? 136 HIS A ND1 1 ATOM 389 C CD2 . HIS A 1 90 ? -25.049 -40.517 -49.878 1.00 44.06 ? 136 HIS A CD2 1 ATOM 390 C CE1 . HIS A 1 90 ? -25.548 -38.658 -50.930 1.00 45.21 ? 136 HIS A CE1 1 ATOM 391 N NE2 . HIS A 1 90 ? -26.015 -39.845 -50.588 1.00 45.10 ? 136 HIS A NE2 1 ATOM 392 N N . LEU A 1 91 ? -20.591 -40.503 -46.750 1.00 36.55 ? 137 LEU A N 1 ATOM 393 C CA . LEU A 1 91 ? -19.252 -40.871 -46.311 1.00 36.98 ? 137 LEU A CA 1 ATOM 394 C C . LEU A 1 91 ? -19.286 -42.068 -45.361 1.00 37.85 ? 137 LEU A C 1 ATOM 395 O O . LEU A 1 91 ? -18.420 -42.949 -45.426 1.00 38.29 ? 137 LEU A O 1 ATOM 396 C CB . LEU A 1 91 ? -18.596 -39.672 -45.640 1.00 36.45 ? 137 LEU A CB 1 ATOM 397 C CG . LEU A 1 91 ? -17.145 -39.814 -45.193 1.00 36.02 ? 137 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 91 ? -16.233 -39.800 -46.419 1.00 36.72 ? 137 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 91 ? -16.798 -38.693 -44.220 1.00 34.32 ? 137 LEU A CD2 1 ATOM 400 N N . PHE A 1 92 ? -20.278 -42.120 -44.477 1.00 37.38 ? 138 PHE A N 1 ATOM 401 C CA . PHE A 1 92 ? -20.335 -43.166 -43.466 1.00 37.38 ? 138 PHE A CA 1 ATOM 402 C C . PHE A 1 92 ? -21.002 -44.452 -43.944 1.00 36.78 ? 138 PHE A C 1 ATOM 403 O O . PHE A 1 92 ? -20.688 -45.516 -43.405 1.00 36.28 ? 138 PHE A O 1 ATOM 404 C CB . PHE A 1 92 ? -21.076 -42.659 -42.216 1.00 38.59 ? 138 PHE A CB 1 ATOM 405 C CG . PHE A 1 92 ? -20.195 -41.929 -41.225 1.00 40.28 ? 138 PHE A CG 1 ATOM 406 C CD1 . PHE A 1 92 ? -19.787 -40.622 -41.465 1.00 41.62 ? 138 PHE A CD1 1 ATOM 407 C CD2 . PHE A 1 92 ? -19.804 -42.542 -40.035 1.00 41.13 ? 138 PHE A CD2 1 ATOM 408 C CE1 . PHE A 1 92 ? -18.986 -39.942 -40.551 1.00 41.89 ? 138 PHE A CE1 1 ATOM 409 C CE2 . PHE A 1 92 ? -19.002 -41.874 -39.108 1.00 41.42 ? 138 PHE A CE2 1 ATOM 410 C CZ . PHE A 1 92 ? -18.597 -40.567 -39.366 1.00 41.81 ? 138 PHE A CZ 1 ATOM 411 N N . GLU A 1 93 ? -21.882 -44.393 -44.950 1.00 37.72 ? 139 GLU A N 1 ATOM 412 C CA . GLU A 1 93 ? -22.835 -45.484 -45.168 1.00 40.28 ? 139 GLU A CA 1 ATOM 413 C C . GLU A 1 93 ? -22.148 -46.811 -45.493 1.00 40.60 ? 139 GLU A C 1 ATOM 414 O O . GLU A 1 93 ? -22.577 -47.865 -45.014 1.00 40.14 ? 139 GLU A O 1 ATOM 415 C CB . GLU A 1 93 ? -23.834 -45.111 -46.270 1.00 43.40 ? 139 GLU A CB 1 ATOM 416 C CG . GLU A 1 93 ? -23.229 -44.760 -47.619 1.00 46.22 ? 139 GLU A CG 1 ATOM 417 C CD . GLU A 1 93 ? -24.277 -44.312 -48.633 1.00 49.21 ? 139 GLU A CD 1 ATOM 418 O OE1 . GLU A 1 93 ? -25.284 -43.687 -48.231 1.00 49.56 ? 139 GLU A OE1 1 ATOM 419 O OE2 . GLU A 1 93 ? -24.096 -44.592 -49.837 1.00 51.07 ? 139 GLU A OE2 1 ATOM 420 N N . ASP A 1 94 ? -21.086 -46.787 -46.302 1.00 41.19 ? 140 ASP A N 1 ATOM 421 C CA . ASP A 1 94 ? -20.451 -48.036 -46.713 1.00 41.36 ? 140 ASP A CA 1 ATOM 422 C C . ASP A 1 94 ? -19.908 -48.806 -45.520 1.00 39.33 ? 140 ASP A C 1 ATOM 423 O O . ASP A 1 94 ? -20.223 -49.987 -45.336 1.00 39.59 ? 140 ASP A O 1 ATOM 424 C CB . ASP A 1 94 ? -19.337 -47.755 -47.712 1.00 43.71 ? 140 ASP A CB 1 ATOM 425 C CG . ASP A 1 94 ? -19.787 -47.940 -49.134 1.00 47.72 ? 140 ASP A CG 1 ATOM 426 O OD1 . ASP A 1 94 ? -20.991 -48.198 -49.343 1.00 48.96 ? 140 ASP A OD1 1 ATOM 427 O OD2 . ASP A 1 94 ? -18.942 -47.819 -50.048 1.00 50.09 ? 140 ASP A OD2 1 ATOM 428 N N . ASP A 1 95 ? -19.083 -48.151 -44.697 1.00 37.71 ? 141 ASP A N 1 ATOM 429 C CA . ASP A 1 95 ? -18.472 -48.833 -43.561 1.00 38.62 ? 141 ASP A CA 1 ATOM 430 C C . ASP A 1 95 ? -19.494 -49.185 -42.497 1.00 39.88 ? 141 ASP A C 1 ATOM 431 O O . ASP A 1 95 ? -19.361 -50.210 -41.821 1.00 39.25 ? 141 ASP A O 1 ATOM 432 C CB . ASP A 1 95 ? -17.385 -47.971 -42.932 1.00 39.63 ? 141 ASP A CB 1 ATOM 433 C CG . ASP A 1 95 ? -16.220 -47.730 -43.852 1.00 40.80 ? 141 ASP A CG 1 ATOM 434 O OD1 . ASP A 1 95 ? -15.758 -48.688 -44.510 1.00 41.66 ? 141 ASP A OD1 1 ATOM 435 O OD2 . ASP A 1 95 ? -15.751 -46.578 -43.889 1.00 40.90 ? 141 ASP A OD2 1 ATOM 436 N N . MET A 1 96 ? -20.493 -48.330 -42.296 1.00 41.52 ? 142 MET A N 1 ATOM 437 C CA . MET A 1 96 ? -21.435 -48.583 -41.216 1.00 43.14 ? 142 MET A CA 1 ATOM 438 C C . MET A 1 96 ? -22.387 -49.718 -41.579 1.00 40.58 ? 142 MET A C 1 ATOM 439 O O . MET A 1 96 ? -22.641 -50.606 -40.755 1.00 39.11 ? 142 MET A O 1 ATOM 440 C CB . MET A 1 96 ? -22.192 -47.300 -40.858 1.00 46.79 ? 142 MET A CB 1 ATOM 441 C CG . MET A 1 96 ? -22.660 -47.251 -39.402 1.00 50.14 ? 142 MET A CG 1 ATOM 442 S SD . MET A 1 96 ? -22.323 -45.656 -38.632 1.00 51.50 ? 142 MET A SD 1 ATOM 443 C CE . MET A 1 96 ? -22.765 -44.532 -39.961 1.00 52.21 ? 142 MET A CE 1 ATOM 444 N N . VAL A 1 97 ? -22.896 -49.733 -42.815 1.00 39.73 ? 143 VAL A N 1 ATOM 445 C CA . VAL A 1 97 ? -23.780 -50.826 -43.215 1.00 39.99 ? 143 VAL A CA 1 ATOM 446 C C . VAL A 1 97 ? -23.046 -52.159 -43.126 1.00 40.98 ? 143 VAL A C 1 ATOM 447 O O . VAL A 1 97 ? -23.608 -53.165 -42.677 1.00 41.77 ? 143 VAL A O 1 ATOM 448 C CB . VAL A 1 97 ? -24.358 -50.579 -44.622 1.00 39.94 ? 143 VAL A CB 1 ATOM 449 C CG1 . VAL A 1 97 ? -24.981 -51.855 -45.174 1.00 39.75 ? 143 VAL A CG1 1 ATOM 450 C CG2 . VAL A 1 97 ? -25.399 -49.478 -44.572 1.00 40.02 ? 143 VAL A CG2 1 ATOM 451 N N . GLU A 1 98 ? -21.771 -52.179 -43.510 1.00 40.78 ? 144 GLU A N 1 ATOM 452 C CA . GLU A 1 98 ? -21.005 -53.417 -43.441 1.00 41.25 ? 144 GLU A CA 1 ATOM 453 C C . GLU A 1 98 ? -20.874 -53.908 -42.008 1.00 39.43 ? 144 GLU A C 1 ATOM 454 O O . GLU A 1 98 ? -21.046 -55.102 -41.735 1.00 39.28 ? 144 GLU A O 1 ATOM 455 C CB . GLU A 1 98 ? -19.621 -53.225 -44.041 1.00 43.03 ? 144 GLU A CB 1 ATOM 456 C CG . GLU A 1 98 ? -18.628 -54.193 -43.454 1.00 45.84 ? 144 GLU A CG 1 ATOM 457 C CD . GLU A 1 98 ? -17.561 -54.579 -44.426 1.00 50.22 ? 144 GLU A CD 1 ATOM 458 O OE1 . GLU A 1 98 ? -16.983 -53.663 -45.050 1.00 52.57 ? 144 GLU A OE1 1 ATOM 459 O OE2 . GLU A 1 98 ? -17.296 -55.796 -44.597 1.00 51.83 ? 144 GLU A OE2 1 ATOM 460 N N . VAL A 1 99 ? -20.553 -53.001 -41.080 1.00 37.07 ? 145 VAL A N 1 ATOM 461 C CA . VAL A 1 99 ? -20.376 -53.397 -39.686 1.00 37.04 ? 145 VAL A CA 1 ATOM 462 C C . VAL A 1 99 ? -21.686 -53.931 -39.118 1.00 39.09 ? 145 VAL A C 1 ATOM 463 O O . VAL A 1 99 ? -21.713 -54.981 -38.462 1.00 40.06 ? 145 VAL A O 1 ATOM 464 C CB . VAL A 1 99 ? -19.814 -52.221 -38.863 1.00 35.05 ? 145 VAL A CB 1 ATOM 465 C CG1 . VAL A 1 99 ? -19.713 -52.575 -37.391 1.00 33.12 ? 145 VAL A CG1 1 ATOM 466 C CG2 . VAL A 1 99 ? -18.444 -51.861 -39.377 1.00 35.04 ? 145 VAL A CG2 1 ATOM 467 N N . TRP A 1 100 ? -22.797 -53.231 -39.379 1.00 39.20 ? 146 TRP A N 1 ATOM 468 C CA . TRP A 1 100 ? -24.097 -53.711 -38.910 1.00 39.46 ? 146 TRP A CA 1 ATOM 469 C C . TRP A 1 100 ? -24.426 -55.071 -39.509 1.00 39.41 ? 146 TRP A C 1 ATOM 470 O O . TRP A 1 100 ? -24.920 -55.966 -38.813 1.00 38.91 ? 146 TRP A O 1 ATOM 471 C CB . TRP A 1 100 ? -25.188 -52.698 -39.258 1.00 40.73 ? 146 TRP A CB 1 ATOM 472 C CG . TRP A 1 100 ? -25.261 -51.541 -38.316 1.00 41.48 ? 146 TRP A CG 1 ATOM 473 C CD1 . TRP A 1 100 ? -24.333 -50.544 -38.155 1.00 40.69 ? 146 TRP A CD1 1 ATOM 474 C CD2 . TRP A 1 100 ? -26.326 -51.247 -37.403 1.00 42.35 ? 146 TRP A CD2 1 ATOM 475 N NE1 . TRP A 1 100 ? -24.756 -49.655 -37.200 1.00 40.17 ? 146 TRP A NE1 1 ATOM 476 C CE2 . TRP A 1 100 ? -25.975 -50.062 -36.720 1.00 41.71 ? 146 TRP A CE2 1 ATOM 477 C CE3 . TRP A 1 100 ? -27.538 -51.874 -37.091 1.00 43.21 ? 146 TRP A CE3 1 ATOM 478 C CZ2 . TRP A 1 100 ? -26.797 -49.490 -35.744 1.00 41.76 ? 146 TRP A CZ2 1 ATOM 479 C CZ3 . TRP A 1 100 ? -28.355 -51.300 -36.125 1.00 43.18 ? 146 TRP A CZ3 1 ATOM 480 C CH2 . TRP A 1 100 ? -27.980 -50.119 -35.464 1.00 42.14 ? 146 TRP A CH2 1 ATOM 481 N N . ARG A 1 101 ? -24.146 -55.235 -40.803 1.00 39.53 ? 147 ARG A N 1 ATOM 482 C CA . ARG A 1 101 ? -24.321 -56.508 -41.493 1.00 41.11 ? 147 ARG A CA 1 ATOM 483 C C . ARG A 1 101 ? -23.576 -57.638 -40.782 1.00 41.32 ? 147 ARG A C 1 ATOM 484 O O . ARG A 1 101 ? -24.063 -58.770 -40.704 1.00 40.70 ? 147 ARG A O 1 ATOM 485 C CB . ARG A 1 101 ? -23.829 -56.334 -42.937 1.00 42.42 ? 147 ARG A CB 1 ATOM 486 C CG . ARG A 1 101 ? -24.123 -57.449 -43.902 1.00 45.19 ? 147 ARG A CG 1 ATOM 487 C CD . ARG A 1 101 ? -23.764 -57.056 -45.351 1.00 46.70 ? 147 ARG A CD 1 ATOM 488 N NE . ARG A 1 101 ? -22.346 -56.746 -45.531 1.00 47.67 ? 147 ARG A NE 1 ATOM 489 C CZ . ARG A 1 101 ? -21.367 -57.651 -45.494 1.00 50.28 ? 147 ARG A CZ 1 ATOM 490 N NH1 . ARG A 1 101 ? -21.644 -58.928 -45.262 1.00 51.65 ? 147 ARG A NH1 1 ATOM 491 N NH2 . ARG A 1 101 ? -20.100 -57.279 -45.668 1.00 50.75 ? 147 ARG A NH2 1 ATOM 492 N N . ARG A 1 102 ? -22.403 -57.338 -40.235 1.00 42.12 ? 148 ARG A N 1 ATOM 493 C CA . ARG A 1 102 ? -21.520 -58.345 -39.661 1.00 42.83 ? 148 ARG A CA 1 ATOM 494 C C . ARG A 1 102 ? -21.630 -58.458 -38.150 1.00 40.95 ? 148 ARG A C 1 ATOM 495 O O . ARG A 1 102 ? -20.955 -59.306 -37.560 1.00 40.88 ? 148 ARG A O 1 ATOM 496 C CB . ARG A 1 102 ? -20.067 -58.049 -40.055 1.00 43.17 ? 148 ARG A CB 1 ATOM 497 C CG . ARG A 1 102 ? -19.864 -58.118 -41.560 1.00 44.61 ? 148 ARG A CG 1 ATOM 498 C CD . ARG A 1 102 ? -18.486 -57.670 -41.970 1.00 44.72 ? 148 ARG A CD 1 ATOM 499 N NE . ARG A 1 102 ? -17.446 -58.417 -41.277 1.00 44.85 ? 148 ARG A NE 1 ATOM 500 C CZ . ARG A 1 102 ? -16.169 -58.430 -41.644 1.00 44.37 ? 148 ARG A CZ 1 ATOM 501 N NH1 . ARG A 1 102 ? -15.776 -57.735 -42.708 1.00 44.05 ? 148 ARG A NH1 1 ATOM 502 N NH2 . ARG A 1 102 ? -15.286 -59.140 -40.947 1.00 44.75 ? 148 ARG A NH2 1 ATOM 503 N N . SER A 1 103 ? -22.467 -57.645 -37.509 1.00 39.66 ? 149 SER A N 1 ATOM 504 C CA . SER A 1 103 ? -22.557 -57.673 -36.057 1.00 38.97 ? 149 SER A CA 1 ATOM 505 C C . SER A 1 103 ? -24.006 -57.736 -35.602 1.00 39.74 ? 149 SER A C 1 ATOM 506 O O . SER A 1 103 ? -24.536 -58.820 -35.353 1.00 41.52 ? 149 SER A O 1 ATOM 507 C CB . SER A 1 103 ? -21.872 -56.447 -35.459 1.00 36.95 ? 149 SER A CB 1 ATOM 508 O OG . SER A 1 103 ? -22.593 -55.277 -35.785 1.00 36.42 ? 149 SER A OG 1 ATOM 509 N N . VAL A 1 104 ? -24.657 -56.576 -35.510 1.00 38.80 ? 150 VAL A N 1 ATOM 510 C CA . VAL A 1 104 ? -26.018 -56.515 -34.993 1.00 38.56 ? 150 VAL A CA 1 ATOM 511 C C . VAL A 1 104 ? -27.001 -57.287 -35.877 1.00 38.68 ? 150 VAL A C 1 ATOM 512 O O . VAL A 1 104 ? -27.979 -57.854 -35.375 1.00 39.18 ? 150 VAL A O 1 ATOM 513 C CB . VAL A 1 104 ? -26.427 -55.041 -34.831 1.00 39.65 ? 150 VAL A CB 1 ATOM 514 C CG1 . VAL A 1 104 ? -27.787 -54.929 -34.185 1.00 40.48 ? 150 VAL A CG1 1 ATOM 515 C CG2 . VAL A 1 104 ? -25.382 -54.303 -34.001 1.00 39.31 ? 150 VAL A CG2 1 ATOM 516 N N . LEU A 1 105 ? -26.763 -57.347 -37.186 1.00 38.59 ? 151 LEU A N 1 ATOM 517 C CA . LEU A 1 105 ? -27.689 -57.994 -38.104 1.00 38.41 ? 151 LEU A CA 1 ATOM 518 C C . LEU A 1 105 ? -27.229 -59.371 -38.566 1.00 39.71 ? 151 LEU A C 1 ATOM 519 O O . LEU A 1 105 ? -27.930 -60.001 -39.360 1.00 40.66 ? 151 LEU A O 1 ATOM 520 C CB . LEU A 1 105 ? -27.926 -57.106 -39.329 1.00 38.60 ? 151 LEU A CB 1 ATOM 521 C CG . LEU A 1 105 ? -28.426 -55.692 -39.049 1.00 38.70 ? 151 LEU A CG 1 ATOM 522 C CD1 . LEU A 1 105 ? -28.241 -54.845 -40.287 1.00 39.52 ? 151 LEU A CD1 1 ATOM 523 C CD2 . LEU A 1 105 ? -29.886 -55.738 -38.642 1.00 38.85 ? 151 LEU A CD2 1 ATOM 524 N N . SER A 1 106 ? -26.074 -59.849 -38.115 1.00 40.65 ? 152 SER A N 1 ATOM 525 C CA . SER A 1 106 ? -25.641 -61.182 -38.517 1.00 42.26 ? 152 SER A CA 1 ATOM 526 C C . SER A 1 106 ? -26.559 -62.228 -37.892 1.00 43.17 ? 152 SER A C 1 ATOM 527 O O . SER A 1 106 ? -26.996 -62.064 -36.747 1.00 43.09 ? 152 SER A O 1 ATOM 528 C CB . SER A 1 106 ? -24.190 -61.439 -38.117 1.00 42.62 ? 152 SER A CB 1 ATOM 529 O OG . SER A 1 106 ? -24.005 -61.287 -36.724 1.00 43.70 ? 152 SER A OG 1 ATOM 530 N N . PRO A 1 107 ? -26.867 -63.316 -38.607 1.00 45.29 ? 153 PRO A N 1 ATOM 531 C CA . PRO A 1 107 ? -27.921 -64.226 -38.120 1.00 47.27 ? 153 PRO A CA 1 ATOM 532 C C . PRO A 1 107 ? -27.645 -64.826 -36.752 1.00 47.64 ? 153 PRO A C 1 ATOM 533 O O . PRO A 1 107 ? -28.565 -64.929 -35.930 1.00 47.48 ? 153 PRO A O 1 ATOM 534 C CB . PRO A 1 107 ? -27.997 -65.304 -39.213 1.00 48.50 ? 153 PRO A CB 1 ATOM 535 C CG . PRO A 1 107 ? -26.748 -65.144 -40.021 1.00 48.25 ? 153 PRO A CG 1 ATOM 536 C CD . PRO A 1 107 ? -26.412 -63.686 -39.956 1.00 46.60 ? 153 PRO A CD 1 ATOM 537 N N . SER A 1 108 ? -26.403 -65.214 -36.479 1.00 47.90 ? 154 SER A N 1 ATOM 538 C CA . SER A 1 108 ? -26.072 -65.772 -35.172 1.00 48.98 ? 154 SER A CA 1 ATOM 539 C C . SER A 1 108 ? -26.311 -64.766 -34.041 1.00 44.64 ? 154 SER A C 1 ATOM 540 O O . SER A 1 108 ? -26.701 -65.158 -32.933 1.00 44.04 ? 154 SER A O 1 ATOM 541 C CB . SER A 1 108 ? -24.619 -66.262 -35.198 1.00 51.48 ? 154 SER A CB 1 ATOM 542 O OG . SER A 1 108 ? -24.017 -66.238 -33.919 1.00 54.37 ? 154 SER A OG 1 ATOM 543 N N . GLU A 1 109 ? -26.111 -63.471 -34.302 1.00 41.82 ? 155 GLU A N 1 ATOM 544 C CA . GLU A 1 109 ? -26.259 -62.461 -33.255 1.00 40.27 ? 155 GLU A CA 1 ATOM 545 C C . GLU A 1 109 ? -27.715 -62.051 -33.062 1.00 40.34 ? 155 GLU A C 1 ATOM 546 O O . GLU A 1 109 ? -28.224 -62.060 -31.937 1.00 40.54 ? 155 GLU A O 1 ATOM 547 C CB . GLU A 1 109 ? -25.422 -61.225 -33.590 1.00 38.83 ? 155 GLU A CB 1 ATOM 548 C CG . GLU A 1 109 ? -23.924 -61.439 -33.611 1.00 38.11 ? 155 GLU A CG 1 ATOM 549 C CD . GLU A 1 109 ? -23.302 -61.450 -32.230 1.00 37.55 ? 155 GLU A CD 1 ATOM 550 O OE1 . GLU A 1 109 ? -23.767 -60.698 -31.350 1.00 36.87 ? 155 GLU A OE1 1 ATOM 551 O OE2 . GLU A 1 109 ? -22.328 -62.201 -32.037 1.00 37.66 ? 155 GLU A OE2 1 ATOM 552 N N . ALA A 1 110 ? -28.389 -61.658 -34.144 1.00 39.80 ? 156 ALA A N 1 ATOM 553 C CA . ALA A 1 110 ? -29.739 -61.114 -34.033 1.00 39.82 ? 156 ALA A CA 1 ATOM 554 C C . ALA A 1 110 ? -30.695 -62.145 -33.460 1.00 42.23 ? 156 ALA A C 1 ATOM 555 O O . ALA A 1 110 ? -31.546 -61.829 -32.611 1.00 42.84 ? 156 ALA A O 1 ATOM 556 C CB . ALA A 1 110 ? -30.227 -60.659 -35.408 1.00 39.22 ? 156 ALA A CB 1 ATOM 557 N N . CYS A 1 111 ? -30.570 -63.388 -33.944 1.00 42.83 ? 157 CYS A N 1 ATOM 558 C CA . CYS A 1 111 ? -31.473 -64.460 -33.573 1.00 44.45 ? 157 CYS A CA 1 ATOM 559 C C . CYS A 1 111 ? -31.154 -64.941 -32.180 1.00 45.11 ? 157 CYS A C 1 ATOM 560 O O . CYS A 1 111 ? -32.036 -65.460 -31.487 1.00 45.73 ? 157 CYS A O 1 ATOM 561 C CB . CYS A 1 111 ? -31.346 -65.610 -34.573 1.00 44.98 ? 157 CYS A CB 1 ATOM 562 S SG . CYS A 1 111 ? -31.956 -65.192 -36.237 1.00 45.18 ? 157 CYS A SG 1 ATOM 563 N N . GLY A 1 112 ? -29.895 -64.787 -31.768 1.00 44.44 ? 158 GLY A N 1 ATOM 564 C CA . GLY A 1 112 ? -29.553 -65.011 -30.380 1.00 44.07 ? 158 GLY A CA 1 ATOM 565 C C . GLY A 1 112 ? -30.197 -64.004 -29.450 1.00 43.10 ? 158 GLY A C 1 ATOM 566 O O . GLY A 1 112 ? -30.705 -64.376 -28.398 1.00 43.21 ? 158 GLY A O 1 ATOM 567 N N . LEU A 1 113 ? -30.170 -62.719 -29.809 1.00 42.58 ? 159 LEU A N 1 ATOM 568 C CA . LEU A 1 113 ? -30.883 -61.720 -29.018 1.00 41.66 ? 159 LEU A CA 1 ATOM 569 C C . LEU A 1 113 ? -32.387 -61.984 -28.992 1.00 43.65 ? 159 LEU A C 1 ATOM 570 O O . LEU A 1 113 ? -33.010 -61.924 -27.928 1.00 45.21 ? 159 LEU A O 1 ATOM 571 C CB . LEU A 1 113 ? -30.600 -60.327 -29.570 1.00 39.02 ? 159 LEU A CB 1 ATOM 572 C CG . LEU A 1 113 ? -31.367 -59.213 -28.872 1.00 37.47 ? 159 LEU A CG 1 ATOM 573 C CD1 . LEU A 1 113 ? -30.681 -58.874 -27.565 1.00 35.71 ? 159 LEU A CD1 1 ATOM 574 C CD2 . LEU A 1 113 ? -31.444 -58.002 -29.771 1.00 36.46 ? 159 LEU A CD2 1 ATOM 575 N N . LEU A 1 114 ? -32.988 -62.286 -30.147 1.00 43.82 ? 160 LEU A N 1 ATOM 576 C CA . LEU A 1 114 ? -34.445 -62.357 -30.237 1.00 43.56 ? 160 LEU A CA 1 ATOM 577 C C . LEU A 1 114 ? -35.002 -63.660 -29.684 1.00 45.14 ? 160 LEU A C 1 ATOM 578 O O . LEU A 1 114 ? -36.087 -63.670 -29.093 1.00 45.11 ? 160 LEU A O 1 ATOM 579 C CB . LEU A 1 114 ? -34.893 -62.206 -31.685 1.00 43.85 ? 160 LEU A CB 1 ATOM 580 C CG . LEU A 1 114 ? -34.657 -60.847 -32.301 1.00 43.92 ? 160 LEU A CG 1 ATOM 581 C CD1 . LEU A 1 114 ? -35.050 -60.876 -33.764 1.00 44.72 ? 160 LEU A CD1 1 ATOM 582 C CD2 . LEU A 1 114 ? -35.454 -59.817 -31.531 1.00 44.35 ? 160 LEU A CD2 1 ATOM 583 N N . LEU A 1 115 ? -34.312 -64.772 -29.914 1.00 47.65 ? 161 LEU A N 1 ATOM 584 C CA . LEU A 1 115 ? -34.824 -66.083 -29.555 1.00 52.19 ? 161 LEU A CA 1 ATOM 585 C C . LEU A 1 115 ? -33.990 -66.776 -28.488 1.00 57.94 ? 161 LEU A C 1 ATOM 586 O O . LEU A 1 115 ? -34.350 -67.880 -28.060 1.00 60.35 ? 161 LEU A O 1 ATOM 587 C CB . LEU A 1 115 ? -34.933 -66.972 -30.802 1.00 50.88 ? 161 LEU A CB 1 ATOM 588 C CG . LEU A 1 115 ? -35.901 -66.445 -31.866 1.00 50.39 ? 161 LEU A CG 1 ATOM 589 C CD1 . LEU A 1 115 ? -35.853 -67.296 -33.128 1.00 45.48 ? 161 LEU A CD1 1 ATOM 590 C CD2 . LEU A 1 115 ? -37.330 -66.358 -31.327 1.00 51.16 ? 161 LEU A CD2 1 ATOM 591 N N . GLY A 1 116 ? -32.898 -66.167 -28.045 1.00 60.87 ? 162 GLY A N 1 ATOM 592 C CA . GLY A 1 116 ? -32.142 -66.682 -26.923 1.00 64.72 ? 162 GLY A CA 1 ATOM 593 C C . GLY A 1 116 ? -30.996 -67.575 -27.348 1.00 67.61 ? 162 GLY A C 1 ATOM 594 O O . GLY A 1 116 ? -30.776 -67.866 -28.530 1.00 68.39 ? 162 GLY A O 1 ATOM 595 N N . SER A 1 117 ? -30.264 -68.019 -26.323 1.00 69.54 ? 163 SER A N 1 ATOM 596 C CA . SER A 1 117 ? -29.081 -68.852 -26.507 1.00 69.38 ? 163 SER A CA 1 ATOM 597 C C . SER A 1 117 ? -29.371 -70.121 -27.296 1.00 68.85 ? 163 SER A C 1 ATOM 598 O O . SER A 1 117 ? -28.442 -70.724 -27.847 1.00 69.40 ? 163 SER A O 1 ATOM 599 C CB . SER A 1 117 ? -28.501 -69.200 -25.139 1.00 68.63 ? 163 SER A CB 1 ATOM 600 O OG . SER A 1 117 ? -29.530 -69.692 -24.290 1.00 68.82 ? 163 SER A OG 1 ATOM 601 N N . THR A 1 118 ? -30.632 -70.541 -27.362 1.00 68.03 ? 164 THR A N 1 ATOM 602 C CA . THR A 1 118 ? -30.963 -71.759 -28.091 1.00 68.16 ? 164 THR A CA 1 ATOM 603 C C . THR A 1 118 ? -30.719 -71.596 -29.588 1.00 67.39 ? 164 THR A C 1 ATOM 604 O O . THR A 1 118 ? -30.243 -72.527 -30.252 1.00 68.88 ? 164 THR A O 1 ATOM 605 C CB . THR A 1 118 ? -32.416 -72.155 -27.815 1.00 69.68 ? 164 THR A CB 1 ATOM 606 O OG1 . THR A 1 118 ? -32.831 -73.147 -28.748 1.00 71.77 ? 164 THR A OG1 1 ATOM 607 C CG2 . THR A 1 118 ? -33.335 -70.950 -27.916 1.00 69.05 ? 164 THR A CG2 1 ATOM 608 N N . CYS A 1 119 ? -31.019 -70.415 -30.134 1.00 64.43 ? 165 CYS A N 1 ATOM 609 C CA . CYS A 1 119 ? -30.923 -70.194 -31.573 1.00 61.69 ? 165 CYS A CA 1 ATOM 610 C C . CYS A 1 119 ? -29.538 -69.696 -31.964 1.00 61.45 ? 165 CYS A C 1 ATOM 611 O O . CYS A 1 119 ? -28.831 -70.348 -32.736 1.00 62.42 ? 165 CYS A O 1 ATOM 612 C CB . CYS A 1 119 ? -32.002 -69.209 -32.027 1.00 58.36 ? 165 CYS A CB 1 ATOM 613 S SG . CYS A 1 119 ? -32.188 -69.102 -33.804 1.00 57.51 ? 165 CYS A SG 1 ATOM 614 N N . GLY A 1 120 ? -29.135 -68.555 -31.439 1.00 61.57 ? 166 GLY A N 1 ATOM 615 C CA . GLY A 1 120 ? -27.821 -68.033 -31.731 1.00 63.04 ? 166 GLY A CA 1 ATOM 616 C C . GLY A 1 120 ? -27.075 -67.670 -30.461 1.00 62.88 ? 166 GLY A C 1 ATOM 617 O O . GLY A 1 120 ? -27.180 -68.341 -29.426 1.00 65.41 ? 166 GLY A O 1 ATOM 618 N N . HIS A 1 121 ? -26.319 -66.579 -30.554 1.00 58.99 ? 167 HIS A N 1 ATOM 619 C CA . HIS A 1 121 ? -25.490 -66.131 -29.441 1.00 57.50 ? 167 HIS A CA 1 ATOM 620 C C . HIS A 1 121 ? -25.211 -64.646 -29.637 1.00 54.28 ? 167 HIS A C 1 ATOM 621 O O . HIS A 1 121 ? -24.436 -64.272 -30.527 1.00 54.47 ? 167 HIS A O 1 ATOM 622 C CB . HIS A 1 121 ? -24.203 -66.941 -29.375 1.00 61.02 ? 167 HIS A CB 1 ATOM 623 C CG . HIS A 1 121 ? -23.314 -66.568 -28.232 1.00 65.72 ? 167 HIS A CG 1 ATOM 624 N ND1 . HIS A 1 121 ? -23.748 -65.804 -27.169 1.00 66.73 ? 167 HIS A ND1 1 ATOM 625 C CD2 . HIS A 1 121 ? -22.010 -66.842 -27.990 1.00 68.08 ? 167 HIS A CD2 1 ATOM 626 C CE1 . HIS A 1 121 ? -22.752 -65.627 -26.319 1.00 67.24 ? 167 HIS A CE1 1 ATOM 627 N NE2 . HIS A 1 121 ? -21.686 -66.247 -26.794 1.00 67.00 ? 167 HIS A NE2 1 ATOM 628 N N . TRP A 1 122 ? -25.859 -63.812 -28.826 1.00 48.95 ? 168 TRP A N 1 ATOM 629 C CA . TRP A 1 122 ? -25.658 -62.369 -28.851 1.00 44.25 ? 168 TRP A CA 1 ATOM 630 C C . TRP A 1 122 ? -24.552 -62.019 -27.861 1.00 42.13 ? 168 TRP A C 1 ATOM 631 O O . TRP A 1 122 ? -24.704 -62.234 -26.657 1.00 41.48 ? 168 TRP A O 1 ATOM 632 C CB . TRP A 1 122 ? -26.960 -61.642 -28.509 1.00 42.76 ? 168 TRP A CB 1 ATOM 633 C CG . TRP A 1 122 ? -26.825 -60.149 -28.368 1.00 41.69 ? 168 TRP A CG 1 ATOM 634 C CD1 . TRP A 1 122 ? -26.412 -59.463 -27.254 1.00 40.99 ? 168 TRP A CD1 1 ATOM 635 C CD2 . TRP A 1 122 ? -27.113 -59.149 -29.364 1.00 40.38 ? 168 TRP A CD2 1 ATOM 636 N NE1 . TRP A 1 122 ? -26.419 -58.108 -27.500 1.00 39.00 ? 168 TRP A NE1 1 ATOM 637 C CE2 . TRP A 1 122 ? -26.847 -57.888 -28.783 1.00 38.83 ? 168 TRP A CE2 1 ATOM 638 C CE3 . TRP A 1 122 ? -27.560 -59.197 -30.689 1.00 39.81 ? 168 TRP A CE3 1 ATOM 639 C CZ2 . TRP A 1 122 ? -27.009 -56.692 -29.482 1.00 37.39 ? 168 TRP A CZ2 1 ATOM 640 C CZ3 . TRP A 1 122 ? -27.730 -58.006 -31.379 1.00 38.54 ? 168 TRP A CZ3 1 ATOM 641 C CH2 . TRP A 1 122 ? -27.458 -56.772 -30.772 1.00 37.68 ? 168 TRP A CH2 1 ATOM 642 N N . ASP A 1 123 ? -23.434 -61.498 -28.367 1.00 40.90 ? 169 ASP A N 1 ATOM 643 C CA . ASP A 1 123 ? -22.273 -61.217 -27.529 1.00 40.51 ? 169 ASP A CA 1 ATOM 644 C C . ASP A 1 123 ? -21.684 -59.852 -27.845 1.00 38.39 ? 169 ASP A C 1 ATOM 645 O O . ASP A 1 123 ? -20.476 -59.635 -27.699 1.00 36.92 ? 169 ASP A O 1 ATOM 646 C CB . ASP A 1 123 ? -21.209 -62.297 -27.692 1.00 42.49 ? 169 ASP A CB 1 ATOM 647 C CG . ASP A 1 123 ? -20.801 -62.488 -29.139 1.00 44.77 ? 169 ASP A CG 1 ATOM 648 O OD1 . ASP A 1 123 ? -20.820 -61.504 -29.908 1.00 44.74 ? 169 ASP A OD1 1 ATOM 649 O OD2 . ASP A 1 123 ? -20.460 -63.627 -29.515 1.00 47.00 ? 169 ASP A OD2 1 ATOM 650 N N . ILE A 1 124 ? -22.524 -58.931 -28.304 1.00 38.34 ? 170 ILE A N 1 ATOM 651 C CA . ILE A 1 124 ? -22.042 -57.621 -28.710 1.00 37.41 ? 170 ILE A CA 1 ATOM 652 C C . ILE A 1 124 ? -21.622 -56.853 -27.465 1.00 37.09 ? 170 ILE A C 1 ATOM 653 O O . ILE A 1 124 ? -22.411 -56.688 -26.527 1.00 37.09 ? 170 ILE A O 1 ATOM 654 C CB . ILE A 1 124 ? -23.116 -56.878 -29.509 1.00 35.90 ? 170 ILE A CB 1 ATOM 655 C CG1 . ILE A 1 124 ? -23.505 -57.748 -30.700 1.00 38.04 ? 170 ILE A CG1 1 ATOM 656 C CG2 . ILE A 1 124 ? -22.609 -55.508 -29.937 1.00 32.60 ? 170 ILE A CG2 1 ATOM 657 C CD1 . ILE A 1 124 ? -24.214 -57.033 -31.805 1.00 39.86 ? 170 ILE A CD1 1 ATOM 658 N N . PHE A 1 125 ? -20.368 -56.402 -27.445 1.00 36.92 ? 171 PHE A N 1 ATOM 659 C CA . PHE A 1 125 ? -19.796 -55.709 -26.287 1.00 37.19 ? 171 PHE A CA 1 ATOM 660 C C . PHE A 1 125 ? -19.833 -56.574 -25.027 1.00 37.68 ? 171 PHE A C 1 ATOM 661 O O . PHE A 1 125 ? -19.954 -56.052 -23.916 1.00 37.86 ? 171 PHE A O 1 ATOM 662 C CB . PHE A 1 125 ? -20.496 -54.367 -26.027 1.00 35.69 ? 171 PHE A CB 1 ATOM 663 C CG . PHE A 1 125 ? -20.226 -53.324 -27.082 1.00 34.99 ? 171 PHE A CG 1 ATOM 664 C CD1 . PHE A 1 125 ? -18.921 -53.012 -27.451 1.00 34.01 ? 171 PHE A CD1 1 ATOM 665 C CD2 . PHE A 1 125 ? -21.276 -52.668 -27.718 1.00 34.76 ? 171 PHE A CD2 1 ATOM 666 C CE1 . PHE A 1 125 ? -18.665 -52.060 -28.422 1.00 33.55 ? 171 PHE A CE1 1 ATOM 667 C CE2 . PHE A 1 125 ? -21.030 -51.710 -28.688 1.00 34.61 ? 171 PHE A CE2 1 ATOM 668 C CZ . PHE A 1 125 ? -19.720 -51.405 -29.044 1.00 34.11 ? 171 PHE A CZ 1 ATOM 669 N N . SER A 1 126 ? -19.725 -57.897 -25.176 1.00 37.80 ? 172 SER A N 1 ATOM 670 C CA . SER A 1 126 ? -19.699 -58.756 -23.999 1.00 38.87 ? 172 SER A CA 1 ATOM 671 C C . SER A 1 126 ? -18.431 -58.495 -23.185 1.00 37.45 ? 172 SER A C 1 ATOM 672 O O . SER A 1 126 ? -17.412 -58.033 -23.705 1.00 36.19 ? 172 SER A O 1 ATOM 673 C CB . SER A 1 126 ? -19.806 -60.236 -24.397 1.00 41.43 ? 172 SER A CB 1 ATOM 674 O OG . SER A 1 126 ? -18.780 -60.644 -25.291 1.00 42.95 ? 172 SER A OG 1 ATOM 675 N N . SER A 1 127 ? -18.516 -58.759 -21.885 1.00 37.04 ? 173 SER A N 1 ATOM 676 C CA . SER A 1 127 ? -17.370 -58.538 -21.014 1.00 36.12 ? 173 SER A CA 1 ATOM 677 C C . SER A 1 127 ? -16.229 -59.482 -21.382 1.00 36.43 ? 173 SER A C 1 ATOM 678 O O . SER A 1 127 ? -16.443 -60.607 -21.846 1.00 36.82 ? 173 SER A O 1 ATOM 679 C CB . SER A 1 127 ? -17.760 -58.742 -19.553 1.00 37.22 ? 173 SER A CB 1 ATOM 680 O OG . SER A 1 127 ? -17.899 -60.125 -19.261 1.00 40.97 ? 173 SER A OG 1 ATOM 681 N N . TRP A 1 128 ? -15.004 -59.005 -21.168 1.00 35.82 ? 174 TRP A N 1 ATOM 682 C CA . TRP A 1 128 ? -13.797 -59.773 -21.434 1.00 36.66 ? 174 TRP A CA 1 ATOM 683 C C . TRP A 1 128 ? -12.722 -59.332 -20.450 1.00 39.82 ? 174 TRP A C 1 ATOM 684 O O . TRP A 1 128 ? -12.788 -58.238 -19.879 1.00 37.72 ? 174 TRP A O 1 ATOM 685 C CB . TRP A 1 128 ? -13.328 -59.596 -22.888 1.00 34.33 ? 174 TRP A CB 1 ATOM 686 C CG . TRP A 1 128 ? -13.257 -58.160 -23.315 1.00 32.71 ? 174 TRP A CG 1 ATOM 687 C CD1 . TRP A 1 128 ? -14.284 -57.390 -23.790 1.00 32.61 ? 174 TRP A CD1 1 ATOM 688 C CD2 . TRP A 1 128 ? -12.101 -57.317 -23.293 1.00 31.68 ? 174 TRP A CD2 1 ATOM 689 N NE1 . TRP A 1 128 ? -13.834 -56.123 -24.073 1.00 32.36 ? 174 TRP A NE1 1 ATOM 690 C CE2 . TRP A 1 128 ? -12.498 -56.051 -23.775 1.00 31.72 ? 174 TRP A CE2 1 ATOM 691 C CE3 . TRP A 1 128 ? -10.770 -57.507 -22.910 1.00 31.37 ? 174 TRP A CE3 1 ATOM 692 C CZ2 . TRP A 1 128 ? -11.611 -54.984 -23.884 1.00 30.82 ? 174 TRP A CZ2 1 ATOM 693 C CZ3 . TRP A 1 128 ? -9.891 -56.445 -23.020 1.00 31.04 ? 174 TRP A CZ3 1 ATOM 694 C CH2 . TRP A 1 128 ? -10.315 -55.199 -23.500 1.00 30.48 ? 174 TRP A CH2 1 ATOM 695 N N . ASN A 1 129 ? -11.733 -60.204 -20.245 1.00 46.46 ? 175 ASN A N 1 ATOM 696 C CA . ASN A 1 129 ? -10.629 -59.939 -19.334 1.00 53.07 ? 175 ASN A CA 1 ATOM 697 C C . ASN A 1 129 ? -9.337 -60.438 -19.957 1.00 50.31 ? 175 ASN A C 1 ATOM 698 O O . ASN A 1 129 ? -9.306 -61.515 -20.553 1.00 51.68 ? 175 ASN A O 1 ATOM 699 C CB . ASN A 1 129 ? -10.825 -60.622 -17.971 1.00 63.94 ? 175 ASN A CB 1 ATOM 700 C CG . ASN A 1 129 ? -12.126 -60.233 -17.294 1.00 74.62 ? 175 ASN A CG 1 ATOM 701 O OD1 . ASN A 1 129 ? -12.458 -59.052 -17.180 1.00 74.85 ? 175 ASN A OD1 1 ATOM 702 N ND2 . ASN A 1 129 ? -12.878 -61.232 -16.849 1.00 85.37 ? 175 ASN A ND2 1 ATOM 703 N N . ILE A 1 130 ? -8.269 -59.659 -19.806 1.00 45.87 ? 176 ILE A N 1 ATOM 704 C CA . ILE A 1 130 ? -6.933 -60.098 -20.200 1.00 42.18 ? 176 ILE A CA 1 ATOM 705 C C . ILE A 1 130 ? -6.298 -60.867 -19.048 1.00 40.11 ? 176 ILE A C 1 ATOM 706 O O . ILE A 1 130 ? -6.887 -60.982 -17.966 1.00 39.59 ? 176 ILE A O 1 ATOM 707 C CB . ILE A 1 130 ? -6.078 -58.900 -20.664 1.00 39.67 ? 176 ILE A CB 1 ATOM 708 C CG1 . ILE A 1 130 ? -6.112 -57.718 -19.676 1.00 36.66 ? 176 ILE A CG1 1 ATOM 709 C CG2 . ILE A 1 130 ? -6.540 -58.452 -22.043 1.00 39.22 ? 176 ILE A CG2 1 ATOM 710 C CD1 . ILE A 1 130 ? -5.346 -57.921 -18.382 1.00 36.37 ? 176 ILE A CD1 1 ATOM 711 N N . SER A 1 131 ? -5.105 -61.411 -19.266 1.00 39.14 ? 177 SER A N 1 ATOM 712 C CA . SER A 1 131 ? -4.447 -62.258 -18.281 1.00 39.02 ? 177 SER A CA 1 ATOM 713 C C . SER A 1 131 ? -3.241 -61.549 -17.695 1.00 36.73 ? 177 SER A C 1 ATOM 714 O O . SER A 1 131 ? -2.366 -61.086 -18.434 1.00 36.22 ? 177 SER A O 1 ATOM 715 C CB . SER A 1 131 ? -4.007 -63.592 -18.888 1.00 42.07 ? 177 SER A CB 1 ATOM 716 O OG . SER A 1 131 ? -5.038 -64.557 -18.777 1.00 45.23 ? 177 SER A OG 1 ATOM 717 N N . LEU A 1 132 ? -3.197 -61.483 -16.411 1.00 36.44 ? 178 LEU A N 1 ATOM 718 C CA . LEU A 1 132 ? -1.979 -61.018 -15.767 1.00 36.77 ? 178 LEU A CA 1 ATOM 719 C C . LEU A 1 132 ? -1.036 -62.195 -15.527 1.00 38.75 ? 178 LEU A C 1 ATOM 720 O O . LEU A 1 132 ? -1.490 -63.307 -15.238 1.00 39.44 ? 178 LEU A O 1 ATOM 721 C CB . LEU A 1 132 ? -2.295 -60.331 -14.439 1.00 35.61 ? 178 LEU A CB 1 ATOM 722 C CG . LEU A 1 132 ? -3.062 -59.009 -14.547 1.00 33.64 ? 178 LEU A CG 1 ATOM 723 C CD1 . LEU A 1 132 ? -3.332 -58.371 -13.171 1.00 31.84 ? 178 LEU A CD1 1 ATOM 724 C CD2 . LEU A 1 132 ? -2.313 -58.050 -15.481 1.00 32.63 ? 178 LEU A CD2 1 ATOM 725 N N . PRO A 1 133 ? 0.269 -61.975 -15.663 1.00 39.14 ? 179 PRO A N 1 ATOM 726 C CA . PRO A 1 133 ? 1.230 -63.047 -15.394 1.00 40.11 ? 179 PRO A CA 1 ATOM 727 C C . PRO A 1 133 ? 1.244 -63.408 -13.918 1.00 40.39 ? 179 PRO A C 1 ATOM 728 O O . PRO A 1 133 ? 0.849 -62.625 -13.052 1.00 39.96 ? 179 PRO A O 1 ATOM 729 C CB . PRO A 1 133 ? 2.569 -62.446 -15.833 1.00 40.00 ? 179 PRO A CB 1 ATOM 730 C CG . PRO A 1 133 ? 2.377 -60.976 -15.719 1.00 38.85 ? 179 PRO A CG 1 ATOM 731 C CD . PRO A 1 133 ? 0.930 -60.714 -16.040 1.00 38.44 ? 179 PRO A CD 1 ATOM 732 N N . THR A 1 134 ? 1.716 -64.618 -13.637 1.00 41.65 ? 180 THR A N 1 ATOM 733 C CA . THR A 1 134 ? 1.711 -65.137 -12.278 1.00 42.47 ? 180 THR A CA 1 ATOM 734 C C . THR A 1 134 ? 2.845 -64.575 -11.412 1.00 41.67 ? 180 THR A C 1 ATOM 735 O O . THR A 1 134 ? 3.014 -65.013 -10.270 1.00 43.89 ? 180 THR A O 1 ATOM 736 C CB . THR A 1 134 ? 1.756 -66.664 -12.322 1.00 45.77 ? 180 THR A CB 1 ATOM 737 O OG1 . THR A 1 134 ? 2.821 -67.087 -13.182 1.00 47.82 ? 180 THR A OG1 1 ATOM 738 C CG2 . THR A 1 134 ? 0.445 -67.198 -12.877 1.00 46.06 ? 180 THR A CG2 1 ATOM 739 N N . VAL A 1 135 ? 3.605 -63.606 -11.910 1.00 39.53 ? 181 VAL A N 1 ATOM 740 C CA . VAL A 1 135 ? 4.630 -62.963 -11.080 1.00 38.69 ? 181 VAL A CA 1 ATOM 741 C C . VAL A 1 135 ? 3.958 -62.250 -9.903 1.00 38.90 ? 181 VAL A C 1 ATOM 742 O O . VAL A 1 135 ? 2.994 -61.484 -10.104 1.00 39.47 ? 181 VAL A O 1 ATOM 743 C CB . VAL A 1 135 ? 5.466 -61.986 -11.932 1.00 36.35 ? 181 VAL A CB 1 ATOM 744 C CG1 . VAL A 1 135 ? 6.467 -61.222 -11.077 1.00 35.04 ? 181 VAL A CG1 1 ATOM 745 C CG2 . VAL A 1 135 ? 6.185 -62.754 -13.046 1.00 36.58 ? 181 VAL A CG2 1 ATOM 746 N N . PRO A 1 136 ? 4.389 -62.490 -8.665 1.00 38.30 ? 182 PRO A N 1 ATOM 747 C CA . PRO A 1 136 ? 3.789 -61.795 -7.517 1.00 36.72 ? 182 PRO A CA 1 ATOM 748 C C . PRO A 1 136 ? 3.949 -60.288 -7.626 1.00 35.46 ? 182 PRO A C 1 ATOM 749 O O . PRO A 1 136 ? 5.010 -59.782 -7.993 1.00 34.82 ? 182 PRO A O 1 ATOM 750 C CB . PRO A 1 136 ? 4.575 -62.342 -6.319 1.00 37.00 ? 182 PRO A CB 1 ATOM 751 C CG . PRO A 1 136 ? 5.112 -63.646 -6.780 1.00 38.72 ? 182 PRO A CG 1 ATOM 752 C CD . PRO A 1 136 ? 5.388 -63.487 -8.249 1.00 39.18 ? 182 PRO A CD 1 ATOM 753 N N . LYS A 1 137 ? 2.889 -59.572 -7.279 1.00 34.84 ? 183 LYS A N 1 ATOM 754 C CA . LYS A 1 137 ? 2.932 -58.113 -7.299 1.00 32.11 ? 183 LYS A CA 1 ATOM 755 C C . LYS A 1 137 ? 3.885 -57.600 -6.229 1.00 31.93 ? 183 LYS A C 1 ATOM 756 O O . LYS A 1 137 ? 3.706 -57.927 -5.048 1.00 32.43 ? 183 LYS A O 1 ATOM 757 C CB . LYS A 1 137 ? 1.541 -57.533 -7.088 1.00 29.60 ? 183 LYS A CB 1 ATOM 758 C CG . LYS A 1 137 ? 1.500 -56.046 -7.259 1.00 27.09 ? 183 LYS A CG 1 ATOM 759 C CD . LYS A 1 137 ? 0.281 -55.431 -6.611 1.00 25.82 ? 183 LYS A CD 1 ATOM 760 C CE . LYS A 1 137 ? 0.203 -53.943 -6.958 1.00 24.26 ? 183 LYS A CE 1 ATOM 761 N NZ . LYS A 1 137 ? -1.049 -53.300 -6.514 1.00 23.08 ? 183 LYS A NZ 1 ATOM 762 N N . PRO A 1 138 ? 4.906 -56.826 -6.581 1.00 31.45 ? 184 PRO A N 1 ATOM 763 C CA . PRO A 1 138 ? 5.802 -56.273 -5.555 1.00 32.74 ? 184 PRO A CA 1 ATOM 764 C C . PRO A 1 138 ? 5.040 -55.386 -4.586 1.00 34.70 ? 184 PRO A C 1 ATOM 765 O O . PRO A 1 138 ? 3.923 -54.931 -4.886 1.00 35.14 ? 184 PRO A O 1 ATOM 766 C CB . PRO A 1 138 ? 6.836 -55.475 -6.366 1.00 31.17 ? 184 PRO A CB 1 ATOM 767 C CG . PRO A 1 138 ? 6.318 -55.432 -7.773 1.00 30.38 ? 184 PRO A CG 1 ATOM 768 C CD . PRO A 1 138 ? 5.383 -56.571 -7.950 1.00 30.30 ? 184 PRO A CD 1 ATOM 769 N N . PRO A 1 139 ? 5.581 -55.152 -3.394 1.00 35.81 ? 185 PRO A N 1 ATOM 770 C CA . PRO A 1 139 ? 4.892 -54.288 -2.426 1.00 35.62 ? 185 PRO A CA 1 ATOM 771 C C . PRO A 1 139 ? 4.764 -52.876 -2.960 1.00 34.10 ? 185 PRO A C 1 ATOM 772 O O . PRO A 1 139 ? 5.694 -52.354 -3.591 1.00 32.71 ? 185 PRO A O 1 ATOM 773 C CB . PRO A 1 139 ? 5.801 -54.335 -1.186 1.00 35.60 ? 185 PRO A CB 1 ATOM 774 C CG . PRO A 1 139 ? 6.562 -55.614 -1.328 1.00 36.33 ? 185 PRO A CG 1 ATOM 775 C CD . PRO A 1 139 ? 6.762 -55.810 -2.807 1.00 36.04 ? 185 PRO A CD 1 ATOM 776 N N . PRO A 1 140 ? 3.620 -52.236 -2.729 1.00 34.36 ? 186 PRO A N 1 ATOM 777 C CA . PRO A 1 140 ? 3.408 -50.865 -3.218 1.00 32.66 ? 186 PRO A CA 1 ATOM 778 C C . PRO A 1 140 ? 4.443 -49.898 -2.660 1.00 33.79 ? 186 PRO A C 1 ATOM 779 O O . PRO A 1 140 ? 4.713 -49.866 -1.456 1.00 35.70 ? 186 PRO A O 1 ATOM 780 C CB . PRO A 1 140 ? 2.000 -50.531 -2.716 1.00 32.27 ? 186 PRO A CB 1 ATOM 781 C CG . PRO A 1 140 ? 1.338 -51.871 -2.534 1.00 34.16 ? 186 PRO A CG 1 ATOM 782 C CD . PRO A 1 140 ? 2.417 -52.814 -2.108 1.00 35.04 ? 186 PRO A CD 1 ATOM 783 N N . LYS A 1 141 ? 5.009 -49.098 -3.543 1.00 32.31 ? 187 LYS A N 1 ATOM 784 C CA . LYS A 1 141 ? 6.129 -48.254 -3.171 1.00 32.89 ? 187 LYS A CA 1 ATOM 785 C C . LYS A 1 141 ? 5.991 -46.911 -3.882 1.00 32.63 ? 187 LYS A C 1 ATOM 786 O O . LYS A 1 141 ? 6.011 -46.866 -5.117 1.00 33.90 ? 187 LYS A O 1 ATOM 787 C CB . LYS A 1 141 ? 7.438 -48.964 -3.533 1.00 33.65 ? 187 LYS A CB 1 ATOM 788 C CG . LYS A 1 141 ? 8.685 -48.202 -3.213 1.00 34.23 ? 187 LYS A CG 1 ATOM 789 C CD . LYS A 1 141 ? 9.928 -49.053 -3.398 1.00 36.16 ? 187 LYS A CD 1 ATOM 790 C CE . LYS A 1 141 ? 11.176 -48.195 -3.144 1.00 38.32 ? 187 LYS A CE 1 ATOM 791 N NZ . LYS A 1 141 ? 12.427 -48.994 -2.998 1.00 40.48 ? 187 LYS A NZ 1 ATOM 792 N N . PRO A 1 142 ? 5.804 -45.810 -3.161 1.00 30.69 ? 188 PRO A N 1 ATOM 793 C CA . PRO A 1 142 ? 5.713 -44.503 -3.822 1.00 29.20 ? 188 PRO A CA 1 ATOM 794 C C . PRO A 1 142 ? 7.055 -44.105 -4.404 1.00 29.30 ? 188 PRO A C 1 ATOM 795 O O . PRO A 1 142 ? 8.103 -44.598 -3.961 1.00 30.82 ? 188 PRO A O 1 ATOM 796 C CB . PRO A 1 142 ? 5.295 -43.558 -2.686 1.00 28.77 ? 188 PRO A CB 1 ATOM 797 C CG . PRO A 1 142 ? 5.796 -44.214 -1.458 1.00 29.93 ? 188 PRO A CG 1 ATOM 798 C CD . PRO A 1 142 ? 5.646 -45.699 -1.701 1.00 30.56 ? 188 PRO A CD 1 ATOM 799 N N . PRO A 1 143 ? 7.069 -43.245 -5.420 1.00 28.10 ? 189 PRO A N 1 ATOM 800 C CA . PRO A 1 143 ? 8.353 -42.773 -5.962 1.00 27.90 ? 189 PRO A CA 1 ATOM 801 C C . PRO A 1 143 ? 9.162 -42.030 -4.900 1.00 27.70 ? 189 PRO A C 1 ATOM 802 O O . PRO A 1 143 ? 8.608 -41.320 -4.057 1.00 26.94 ? 189 PRO A O 1 ATOM 803 C CB . PRO A 1 143 ? 7.935 -41.847 -7.111 1.00 26.96 ? 189 PRO A CB 1 ATOM 804 C CG . PRO A 1 143 ? 6.535 -42.288 -7.464 1.00 26.66 ? 189 PRO A CG 1 ATOM 805 C CD . PRO A 1 143 ? 5.911 -42.792 -6.209 1.00 26.37 ? 189 PRO A CD 1 ATOM 806 N N . SER A 1 144 ? 10.482 -42.221 -4.929 1.00 27.65 ? 190 SER A N 1 ATOM 807 C CA . SER A 1 144 ? 11.346 -41.522 -3.988 1.00 29.21 ? 190 SER A CA 1 ATOM 808 C C . SER A 1 144 ? 11.476 -40.049 -4.374 1.00 27.82 ? 190 SER A C 1 ATOM 809 O O . SER A 1 144 ? 11.503 -39.707 -5.557 1.00 27.41 ? 190 SER A O 1 ATOM 810 C CB . SER A 1 144 ? 12.738 -42.149 -3.946 1.00 32.13 ? 190 SER A CB 1 ATOM 811 O OG . SER A 1 144 ? 12.693 -43.462 -3.423 1.00 35.52 ? 190 SER A OG 1 ATOM 812 N N . PRO A 1 145 ? 11.555 -39.157 -3.397 1.00 26.86 ? 191 PRO A N 1 ATOM 813 C CA . PRO A 1 145 ? 11.869 -37.764 -3.711 1.00 26.84 ? 191 PRO A CA 1 ATOM 814 C C . PRO A 1 145 ? 13.199 -37.697 -4.438 1.00 26.92 ? 191 PRO A C 1 ATOM 815 O O . PRO A 1 145 ? 14.161 -38.371 -4.042 1.00 26.56 ? 191 PRO A O 1 ATOM 816 C CB . PRO A 1 145 ? 11.947 -37.083 -2.330 1.00 26.23 ? 191 PRO A CB 1 ATOM 817 C CG . PRO A 1 145 ? 11.261 -38.019 -1.386 1.00 25.88 ? 191 PRO A CG 1 ATOM 818 C CD . PRO A 1 145 ? 11.411 -39.399 -1.949 1.00 25.76 ? 191 PRO A CD 1 ATOM 819 N N . PRO A 1 146 ? 13.285 -36.943 -5.531 1.00 26.92 ? 192 PRO A N 1 ATOM 820 C CA . PRO A 1 146 ? 14.565 -36.841 -6.238 1.00 26.09 ? 192 PRO A CA 1 ATOM 821 C C . PRO A 1 146 ? 15.603 -36.197 -5.337 1.00 25.95 ? 192 PRO A C 1 ATOM 822 O O . PRO A 1 146 ? 15.285 -35.354 -4.499 1.00 24.74 ? 192 PRO A O 1 ATOM 823 C CB . PRO A 1 146 ? 14.240 -35.958 -7.452 1.00 25.30 ? 192 PRO A CB 1 ATOM 824 C CG . PRO A 1 146 ? 12.762 -36.046 -7.606 1.00 25.06 ? 192 PRO A CG 1 ATOM 825 C CD . PRO A 1 146 ? 12.216 -36.191 -6.210 1.00 25.40 ? 192 PRO A CD 1 ATOM 826 N N . ALA A 1 147 ? 16.847 -36.626 -5.502 1.00 27.80 ? 193 ALA A N 1 ATOM 827 C CA . ALA A 1 147 ? 17.949 -36.049 -4.758 1.00 28.24 ? 193 ALA A CA 1 ATOM 828 C C . ALA A 1 147 ? 18.195 -34.604 -5.204 1.00 29.96 ? 193 ALA A C 1 ATOM 829 O O . ALA A 1 147 ? 17.858 -34.227 -6.331 1.00 29.56 ? 193 ALA A O 1 ATOM 830 C CB . ALA A 1 147 ? 19.208 -36.884 -4.965 1.00 27.75 ? 193 ALA A CB 1 ATOM 831 N N . PRO A 1 148 ? 18.778 -33.775 -4.335 1.00 31.43 ? 194 PRO A N 1 ATOM 832 C CA . PRO A 1 148 ? 19.086 -32.391 -4.725 1.00 31.11 ? 194 PRO A CA 1 ATOM 833 C C . PRO A 1 148 ? 19.963 -32.332 -5.966 1.00 31.23 ? 194 PRO A C 1 ATOM 834 O O . PRO A 1 148 ? 20.957 -33.052 -6.086 1.00 31.49 ? 194 PRO A O 1 ATOM 835 C CB . PRO A 1 148 ? 19.820 -31.832 -3.502 1.00 31.53 ? 194 PRO A CB 1 ATOM 836 C CG . PRO A 1 148 ? 19.333 -32.666 -2.364 1.00 32.45 ? 194 PRO A CG 1 ATOM 837 C CD . PRO A 1 148 ? 19.113 -34.044 -2.926 1.00 32.18 ? 194 PRO A CD 1 ATOM 838 N N . GLY A 1 149 ? 19.585 -31.451 -6.892 1.00 30.85 ? 195 GLY A N 1 ATOM 839 C CA . GLY A 1 149 ? 20.306 -31.292 -8.138 1.00 30.73 ? 195 GLY A CA 1 ATOM 840 C C . GLY A 1 149 ? 20.200 -32.446 -9.110 1.00 31.66 ? 195 GLY A C 1 ATOM 841 O O . GLY A 1 149 ? 20.964 -32.488 -10.081 1.00 33.37 ? 195 GLY A O 1 ATOM 842 N N . ALA A 1 150 ? 19.281 -33.384 -8.893 1.00 30.74 ? 196 ALA A N 1 ATOM 843 C CA . ALA A 1 150 ? 19.146 -34.502 -9.811 1.00 29.80 ? 196 ALA A CA 1 ATOM 844 C C . ALA A 1 150 ? 18.695 -34.010 -11.191 1.00 29.38 ? 196 ALA A C 1 ATOM 845 O O . ALA A 1 150 ? 18.037 -32.969 -11.310 1.00 28.68 ? 196 ALA A O 1 ATOM 846 C CB . ALA A 1 150 ? 18.159 -35.526 -9.258 1.00 28.93 ? 196 ALA A CB 1 ATOM 847 N N . PRO A 1 151 ? 19.067 -34.729 -12.251 1.00 29.31 ? 197 PRO A N 1 ATOM 848 C CA . PRO A 1 151 ? 18.677 -34.315 -13.609 1.00 30.07 ? 197 PRO A CA 1 ATOM 849 C C . PRO A 1 151 ? 17.162 -34.259 -13.791 1.00 30.99 ? 197 PRO A C 1 ATOM 850 O O . PRO A 1 151 ? 16.423 -35.112 -13.287 1.00 30.23 ? 197 PRO A O 1 ATOM 851 C CB . PRO A 1 151 ? 19.311 -35.391 -14.501 1.00 29.52 ? 197 PRO A CB 1 ATOM 852 C CG . PRO A 1 151 ? 20.433 -35.978 -13.678 1.00 29.20 ? 197 PRO A CG 1 ATOM 853 C CD . PRO A 1 151 ? 20.018 -35.857 -12.244 1.00 28.97 ? 197 PRO A CD 1 ATOM 854 N N . VAL A 1 152 ? 16.705 -33.244 -14.531 1.00 31.34 ? 198 VAL A N 1 ATOM 855 C CA . VAL A 1 152 ? 15.288 -33.047 -14.841 1.00 29.99 ? 198 VAL A CA 1 ATOM 856 C C . VAL A 1 152 ? 15.117 -33.041 -16.354 1.00 32.15 ? 198 VAL A C 1 ATOM 857 O O . VAL A 1 152 ? 15.715 -32.213 -17.052 1.00 33.68 ? 198 VAL A O 1 ATOM 858 C CB . VAL A 1 152 ? 14.733 -31.744 -14.239 1.00 26.29 ? 198 VAL A CB 1 ATOM 859 C CG1 . VAL A 1 152 ? 13.302 -31.511 -14.725 1.00 24.83 ? 198 VAL A CG1 1 ATOM 860 C CG2 . VAL A 1 152 ? 14.791 -31.782 -12.720 1.00 23.18 ? 198 VAL A CG2 1 ATOM 861 N N . SER A 1 153 ? 14.290 -33.950 -16.851 1.00 32.58 ? 199 SER A N 1 ATOM 862 C CA . SER A 1 153 ? 13.963 -34.058 -18.266 1.00 32.88 ? 199 SER A CA 1 ATOM 863 C C . SER A 1 153 ? 12.720 -33.218 -18.574 1.00 32.72 ? 199 SER A C 1 ATOM 864 O O . SER A 1 153 ? 11.735 -33.255 -17.824 1.00 31.54 ? 199 SER A O 1 ATOM 865 C CB . SER A 1 153 ? 13.743 -35.540 -18.608 1.00 33.63 ? 199 SER A CB 1 ATOM 866 O OG . SER A 1 153 ? 13.111 -35.743 -19.860 1.00 35.62 ? 199 SER A OG 1 ATOM 867 N N . ARG A 1 154 ? 12.776 -32.430 -19.659 1.00 33.02 ? 200 ARG A N 1 ATOM 868 C CA . ARG A 1 154 ? 11.659 -31.568 -20.053 1.00 34.12 ? 200 ARG A CA 1 ATOM 869 C C . ARG A 1 154 ? 10.972 -32.155 -21.281 1.00 33.40 ? 200 ARG A C 1 ATOM 870 O O . ARG A 1 154 ? 11.614 -32.369 -22.315 1.00 33.19 ? 200 ARG A O 1 ATOM 871 C CB . ARG A 1 154 ? 12.111 -30.127 -20.321 1.00 37.13 ? 200 ARG A CB 1 ATOM 872 C CG . ARG A 1 154 ? 13.074 -29.569 -19.270 1.00 41.24 ? 200 ARG A CG 1 ATOM 873 C CD . ARG A 1 154 ? 13.370 -28.064 -19.420 1.00 44.66 ? 200 ARG A CD 1 ATOM 874 N NE . ARG A 1 154 ? 12.398 -27.239 -18.710 1.00 47.00 ? 200 ARG A NE 1 ATOM 875 C CZ . ARG A 1 154 ? 11.456 -26.528 -19.320 1.00 48.84 ? 200 ARG A CZ 1 ATOM 876 N NH1 . ARG A 1 154 ? 11.388 -26.561 -20.642 1.00 50.68 ? 200 ARG A NH1 1 ATOM 877 N NH2 . ARG A 1 154 ? 10.587 -25.793 -18.624 1.00 47.08 ? 200 ARG A NH2 1 ATOM 878 N N . ILE A 1 155 ? 9.666 -32.398 -21.167 1.00 32.49 ? 201 ILE A N 1 ATOM 879 C CA . ILE A 1 155 ? 8.867 -33.006 -22.232 1.00 30.29 ? 201 ILE A CA 1 ATOM 880 C C . ILE A 1 155 ? 7.838 -31.992 -22.720 1.00 29.52 ? 201 ILE A C 1 ATOM 881 O O . ILE A 1 155 ? 7.010 -31.512 -21.933 1.00 27.82 ? 201 ILE A O 1 ATOM 882 C CB . ILE A 1 155 ? 8.175 -34.296 -21.757 1.00 27.44 ? 201 ILE A CB 1 ATOM 883 C CG1 . ILE A 1 155 ? 9.222 -35.317 -21.284 1.00 26.42 ? 201 ILE A CG1 1 ATOM 884 C CG2 . ILE A 1 155 ? 7.282 -34.870 -22.860 1.00 25.99 ? 201 ILE A CG2 1 ATOM 885 C CD1 . ILE A 1 155 ? 10.067 -35.893 -22.374 1.00 26.70 ? 201 ILE A CD1 1 ATOM 886 N N . LEU A 1 156 ? 7.888 -31.669 -24.016 1.00 30.38 ? 202 LEU A N 1 ATOM 887 C CA . LEU A 1 156 ? 6.824 -30.905 -24.648 1.00 21.46 ? 202 LEU A CA 1 ATOM 888 C C . LEU A 1 156 ? 5.657 -31.832 -24.966 1.00 26.02 ? 202 LEU A C 1 ATOM 889 O O . LEU A 1 156 ? 5.848 -32.946 -25.463 1.00 25.75 ? 202 LEU A O 1 ATOM 890 C CB . LEU A 1 156 ? 7.331 -30.232 -25.921 1.00 22.39 ? 202 LEU A CB 1 ATOM 891 C CG . LEU A 1 156 ? 6.295 -29.492 -26.784 1.00 22.54 ? 202 LEU A CG 1 ATOM 892 C CD1 . LEU A 1 156 ? 5.662 -28.321 -26.035 1.00 22.20 ? 202 LEU A CD1 1 ATOM 893 C CD2 . LEU A 1 156 ? 6.949 -29.017 -28.060 1.00 23.60 ? 202 LEU A CD2 1 ATOM 894 N N . PHE A 1 157 ? 4.444 -31.383 -24.649 1.00 20.52 ? 203 PHE A N 1 ATOM 895 C CA . PHE A 1 157 ? 3.242 -32.178 -24.858 1.00 23.36 ? 203 PHE A CA 1 ATOM 896 C C . PHE A 1 157 ? 2.282 -31.431 -25.776 1.00 23.35 ? 203 PHE A C 1 ATOM 897 O O . PHE A 1 157 ? 1.762 -30.370 -25.404 1.00 22.44 ? 203 PHE A O 1 ATOM 898 C CB . PHE A 1 157 ? 2.550 -32.514 -23.538 1.00 19.37 ? 203 PHE A CB 1 ATOM 899 C CG . PHE A 1 157 ? 1.536 -33.596 -23.676 1.00 20.29 ? 203 PHE A CG 1 ATOM 900 C CD1 . PHE A 1 157 ? 0.223 -33.295 -24.016 1.00 19.53 ? 203 PHE A CD1 1 ATOM 901 C CD2 . PHE A 1 157 ? 1.902 -34.923 -23.524 1.00 19.04 ? 203 PHE A CD2 1 ATOM 902 C CE1 . PHE A 1 157 ? -0.713 -34.297 -24.167 1.00 19.73 ? 203 PHE A CE1 1 ATOM 903 C CE2 . PHE A 1 157 ? 0.966 -35.934 -23.680 1.00 18.87 ? 203 PHE A CE2 1 ATOM 904 C CZ . PHE A 1 157 ? -0.340 -35.621 -24.006 1.00 18.71 ? 203 PHE A CZ 1 ATOM 905 N N . LEU A 1 158 ? 2.044 -31.994 -26.968 1.00 23.68 ? 204 LEU A N 1 ATOM 906 C CA . LEU A 1 158 ? 1.139 -31.430 -27.965 1.00 23.56 ? 204 LEU A CA 1 ATOM 907 C C . LEU A 1 158 ? -0.001 -32.404 -28.222 1.00 23.10 ? 204 LEU A C 1 ATOM 908 O O . LEU A 1 158 ? 0.232 -33.600 -28.430 1.00 22.82 ? 204 LEU A O 1 ATOM 909 C CB . LEU A 1 158 ? 1.862 -31.148 -29.284 1.00 24.13 ? 204 LEU A CB 1 ATOM 910 C CG . LEU A 1 158 ? 3.103 -30.240 -29.253 1.00 23.40 ? 204 LEU A CG 1 ATOM 911 C CD1 . LEU A 1 158 ? 3.646 -30.057 -30.656 1.00 23.54 ? 204 LEU A CD1 1 ATOM 912 C CD2 . LEU A 1 158 ? 2.810 -28.878 -28.600 1.00 24.87 ? 204 LEU A CD2 1 ATOM 913 N N . THR A 1 159 ? -1.232 -31.897 -28.218 1.00 22.60 ? 205 THR A N 1 ATOM 914 C CA . THR A 1 159 ? -2.375 -32.762 -28.476 1.00 22.62 ? 205 THR A CA 1 ATOM 915 C C . THR A 1 159 ? -3.508 -31.945 -29.090 1.00 23.57 ? 205 THR A C 1 ATOM 916 O O . THR A 1 159 ? -3.633 -30.741 -28.837 1.00 22.61 ? 205 THR A O 1 ATOM 917 C CB . THR A 1 159 ? -2.830 -33.472 -27.184 1.00 21.64 ? 205 THR A CB 1 ATOM 918 O OG1 . THR A 1 159 ? -3.842 -34.448 -27.482 1.00 21.75 ? 205 THR A OG1 1 ATOM 919 C CG2 . THR A 1 159 ? -3.360 -32.462 -26.148 1.00 19.79 ? 205 THR A CG2 1 ATOM 920 N N . ASP A 1 160 ? -4.315 -32.611 -29.917 1.00 25.96 ? 206 ASP A N 1 ATOM 921 C CA . ASP A 1 160 ? -5.527 -32.033 -30.508 1.00 28.21 ? 206 ASP A CA 1 ATOM 922 C C . ASP A 1 160 ? -5.214 -30.715 -31.223 1.00 26.72 ? 206 ASP A C 1 ATOM 923 O O . ASP A 1 160 ? -5.714 -29.636 -30.890 1.00 26.56 ? 206 ASP A O 1 ATOM 924 C CB . ASP A 1 160 ? -6.607 -31.864 -29.437 1.00 31.88 ? 206 ASP A CB 1 ATOM 925 C CG . ASP A 1 160 ? -6.987 -33.186 -28.791 1.00 36.47 ? 206 ASP A CG 1 ATOM 926 O OD1 . ASP A 1 160 ? -7.812 -33.918 -29.367 1.00 40.24 ? 206 ASP A OD1 1 ATOM 927 O OD2 . ASP A 1 160 ? -6.432 -33.520 -27.720 1.00 37.79 ? 206 ASP A OD2 1 ATOM 928 N N . LEU A 1 161 ? -4.341 -30.823 -32.220 1.00 24.70 ? 207 LEU A N 1 ATOM 929 C CA . LEU A 1 161 ? -3.983 -29.634 -32.977 1.00 24.45 ? 207 LEU A CA 1 ATOM 930 C C . LEU A 1 161 ? -5.088 -29.245 -33.958 1.00 24.34 ? 207 LEU A C 1 ATOM 931 O O . LEU A 1 161 ? -5.311 -28.053 -34.190 1.00 24.23 ? 207 LEU A O 1 ATOM 932 C CB . LEU A 1 161 ? -2.651 -29.853 -33.688 1.00 23.63 ? 207 LEU A CB 1 ATOM 933 C CG . LEU A 1 161 ? -1.393 -29.607 -32.851 1.00 33.59 ? 207 LEU A CG 1 ATOM 934 C CD1 . LEU A 1 161 ? -1.276 -30.491 -31.594 1.00 22.55 ? 207 LEU A CD1 1 ATOM 935 C CD2 . LEU A 1 161 ? -0.202 -29.810 -33.745 1.00 24.26 ? 207 LEU A CD2 1 ATOM 936 N N . HIS A 1 162 ? -5.792 -30.232 -34.521 1.00 24.61 ? 208 HIS A N 1 ATOM 937 C CA . HIS A 1 162 ? -6.961 -30.028 -35.385 1.00 26.64 ? 208 HIS A CA 1 ATOM 938 C C . HIS A 1 162 ? -6.755 -28.892 -36.387 1.00 27.40 ? 208 HIS A C 1 ATOM 939 O O . HIS A 1 162 ? -7.433 -27.861 -36.352 1.00 26.77 ? 208 HIS A O 1 ATOM 940 C CB . HIS A 1 162 ? -8.212 -29.762 -34.553 1.00 27.68 ? 208 HIS A CB 1 ATOM 941 C CG . HIS A 1 162 ? -8.703 -30.964 -33.822 1.00 27.88 ? 208 HIS A CG 1 ATOM 942 N ND1 . HIS A 1 162 ? -9.293 -32.031 -34.469 1.00 27.83 ? 208 HIS A ND1 1 ATOM 943 C CD2 . HIS A 1 162 ? -8.682 -31.279 -32.507 1.00 26.29 ? 208 HIS A CD2 1 ATOM 944 C CE1 . HIS A 1 162 ? -9.619 -32.950 -33.579 1.00 26.72 ? 208 HIS A CE1 1 ATOM 945 N NE2 . HIS A 1 162 ? -9.257 -32.519 -32.383 1.00 26.31 ? 208 HIS A NE2 1 ATOM 946 N N . TRP A 1 163 ? -5.790 -29.092 -37.277 1.00 27.63 ? 209 TRP A N 1 ATOM 947 C CA . TRP A 1 163 ? -5.561 -28.137 -38.348 1.00 28.52 ? 209 TRP A CA 1 ATOM 948 C C . TRP A 1 163 ? -6.748 -28.135 -39.295 1.00 29.98 ? 209 TRP A C 1 ATOM 949 O O . TRP A 1 163 ? -7.171 -29.189 -39.777 1.00 27.15 ? 209 TRP A O 1 ATOM 950 C CB . TRP A 1 163 ? -4.286 -28.485 -39.111 1.00 29.44 ? 209 TRP A CB 1 ATOM 951 C CG . TRP A 1 163 ? -4.165 -27.728 -40.390 1.00 31.02 ? 209 TRP A CG 1 ATOM 952 C CD1 . TRP A 1 163 ? -4.372 -26.397 -40.577 1.00 31.55 ? 209 TRP A CD1 1 ATOM 953 C CD2 . TRP A 1 163 ? -3.805 -28.256 -41.669 1.00 32.42 ? 209 TRP A CD2 1 ATOM 954 N NE1 . TRP A 1 163 ? -4.173 -26.055 -41.877 1.00 33.43 ? 209 TRP A NE1 1 ATOM 955 C CE2 . TRP A 1 163 ? -3.825 -27.175 -42.578 1.00 33.73 ? 209 TRP A CE2 1 ATOM 956 C CE3 . TRP A 1 163 ? -3.470 -29.542 -42.140 1.00 33.34 ? 209 TRP A CE3 1 ATOM 957 C CZ2 . TRP A 1 163 ? -3.524 -27.329 -43.918 1.00 34.61 ? 209 TRP A CZ2 1 ATOM 958 C CZ3 . TRP A 1 163 ? -3.181 -29.695 -43.464 1.00 34.68 ? 209 TRP A CZ3 1 ATOM 959 C CH2 . TRP A 1 163 ? -3.199 -28.587 -44.343 1.00 35.05 ? 209 TRP A CH2 1 ATOM 960 N N . ASP A 1 164 ? -7.290 -26.956 -39.568 1.00 30.82 ? 210 ASP A N 1 ATOM 961 C CA . ASP A 1 164 ? -8.374 -26.827 -40.541 1.00 31.74 ? 210 ASP A CA 1 ATOM 962 C C . ASP A 1 164 ? -7.826 -26.158 -41.798 1.00 33.29 ? 210 ASP A C 1 ATOM 963 O O . ASP A 1 164 ? -7.648 -24.936 -41.839 1.00 33.34 ? 210 ASP A O 1 ATOM 964 C CB . ASP A 1 164 ? -9.559 -26.060 -39.968 1.00 31.59 ? 210 ASP A CB 1 ATOM 965 C CG . ASP A 1 164 ? -10.731 -26.040 -40.924 1.00 32.83 ? 210 ASP A CG 1 ATOM 966 O OD1 . ASP A 1 164 ? -10.646 -26.768 -41.938 1.00 34.39 ? 210 ASP A OD1 1 ATOM 967 O OD2 . ASP A 1 164 ? -11.760 -25.371 -40.648 1.00 32.00 ? 210 ASP A OD2 1 ATOM 968 N N . HIS A 1 165 ? -7.571 -26.975 -42.827 1.00 34.12 ? 211 HIS A N 1 ATOM 969 C CA . HIS A 1 165 ? -7.038 -26.462 -44.081 1.00 35.60 ? 211 HIS A CA 1 ATOM 970 C C . HIS A 1 165 ? -7.906 -25.356 -44.667 1.00 35.83 ? 211 HIS A C 1 ATOM 971 O O . HIS A 1 165 ? -7.389 -24.494 -45.389 1.00 36.39 ? 211 HIS A O 1 ATOM 972 C CB . HIS A 1 165 ? -6.876 -27.609 -45.083 1.00 37.45 ? 211 HIS A CB 1 ATOM 973 C CG . HIS A 1 165 ? -6.605 -27.161 -46.487 1.00 41.26 ? 211 HIS A CG 1 ATOM 974 N ND1 . HIS A 1 165 ? -7.608 -26.827 -47.373 1.00 42.15 ? 211 HIS A ND1 1 ATOM 975 C CD2 . HIS A 1 165 ? -5.441 -26.989 -47.159 1.00 42.39 ? 211 HIS A CD2 1 ATOM 976 C CE1 . HIS A 1 165 ? -7.076 -26.468 -48.527 1.00 43.59 ? 211 HIS A CE1 1 ATOM 977 N NE2 . HIS A 1 165 ? -5.762 -26.560 -48.426 1.00 43.96 ? 211 HIS A NE2 1 ATOM 978 N N . ASP A 1 166 ? -9.200 -25.326 -44.347 1.00 35.57 ? 212 ASP A N 1 ATOM 979 C CA . ASP A 1 166 ? -10.094 -24.347 -44.950 1.00 38.17 ? 212 ASP A CA 1 ATOM 980 C C . ASP A 1 166 ? -10.458 -23.192 -44.026 1.00 37.56 ? 212 ASP A C 1 ATOM 981 O O . ASP A 1 166 ? -11.375 -22.433 -44.362 1.00 38.52 ? 212 ASP A O 1 ATOM 982 C CB . ASP A 1 166 ? -11.369 -25.018 -45.463 1.00 40.64 ? 212 ASP A CB 1 ATOM 983 C CG . ASP A 1 166 ? -11.099 -26.048 -46.551 1.00 43.63 ? 212 ASP A CG 1 ATOM 984 O OD1 . ASP A 1 166 ? -9.954 -26.143 -47.040 1.00 45.13 ? 212 ASP A OD1 1 ATOM 985 O OD2 . ASP A 1 166 ? -12.055 -26.767 -46.915 1.00 44.79 ? 212 ASP A OD2 1 ATOM 986 N N . TYR A 1 167 ? -9.771 -23.029 -42.886 1.00 36.25 ? 213 TYR A N 1 ATOM 987 C CA . TYR A 1 167 ? -10.004 -21.865 -42.029 1.00 35.63 ? 213 TYR A CA 1 ATOM 988 C C . TYR A 1 167 ? -9.973 -20.585 -42.852 1.00 37.74 ? 213 TYR A C 1 ATOM 989 O O . TYR A 1 167 ? -9.120 -20.409 -43.726 1.00 37.99 ? 213 TYR A O 1 ATOM 990 C CB . TYR A 1 167 ? -8.961 -21.765 -40.907 1.00 34.79 ? 213 TYR A CB 1 ATOM 991 C CG . TYR A 1 167 ? -9.355 -20.758 -39.823 1.00 35.37 ? 213 TYR A CG 1 ATOM 992 C CD1 . TYR A 1 167 ? -10.124 -21.162 -38.730 1.00 33.41 ? 213 TYR A CD1 1 ATOM 993 C CD2 . TYR A 1 167 ? -8.987 -19.403 -39.902 1.00 36.59 ? 213 TYR A CD2 1 ATOM 994 C CE1 . TYR A 1 167 ? -10.509 -20.271 -37.744 1.00 33.57 ? 213 TYR A CE1 1 ATOM 995 C CE2 . TYR A 1 167 ? -9.377 -18.487 -38.905 1.00 36.65 ? 213 TYR A CE2 1 ATOM 996 C CZ . TYR A 1 167 ? -10.140 -18.939 -37.822 1.00 35.95 ? 213 TYR A CZ 1 ATOM 997 O OH . TYR A 1 167 ? -10.551 -18.086 -36.811 1.00 30.62 ? 213 TYR A OH 1 ATOM 998 N N . LEU A 1 168 ? -10.922 -19.694 -42.574 1.00 39.19 ? 214 LEU A N 1 ATOM 999 C CA . LEU A 1 168 ? -11.024 -18.429 -43.295 1.00 40.39 ? 214 LEU A CA 1 ATOM 1000 C C . LEU A 1 168 ? -11.420 -17.326 -42.323 1.00 39.22 ? 214 LEU A C 1 ATOM 1001 O O . LEU A 1 168 ? -12.528 -17.341 -41.774 1.00 38.20 ? 214 LEU A O 1 ATOM 1002 C CB . LEU A 1 168 ? -12.021 -18.529 -44.448 1.00 41.96 ? 214 LEU A CB 1 ATOM 1003 C CG . LEU A 1 168 ? -11.876 -17.370 -45.436 1.00 44.50 ? 214 LEU A CG 1 ATOM 1004 C CD1 . LEU A 1 168 ? -10.434 -17.297 -45.929 1.00 45.06 ? 214 LEU A CD1 1 ATOM 1005 C CD2 . LEU A 1 168 ? -12.838 -17.500 -46.610 1.00 45.20 ? 214 LEU A CD2 1 ATOM 1006 N N . GLU A 1 169 ? -10.506 -16.379 -42.119 1.00 39.99 ? 215 GLU A N 1 ATOM 1007 C CA . GLU A 1 169 ? -10.770 -15.177 -41.341 1.00 42.18 ? 215 GLU A CA 1 ATOM 1008 C C . GLU A 1 169 ? -11.994 -14.442 -41.869 1.00 41.75 ? 215 GLU A C 1 ATOM 1009 O O . GLU A 1 169 ? -12.296 -14.470 -43.064 1.00 42.03 ? 215 GLU A O 1 ATOM 1010 C CB . GLU A 1 169 ? -9.548 -14.264 -41.416 1.00 46.89 ? 215 GLU A CB 1 ATOM 1011 C CG . GLU A 1 169 ? -8.408 -14.938 -42.160 1.00 50.84 ? 215 GLU A CG 1 ATOM 1012 C CD . GLU A 1 169 ? -7.788 -14.080 -43.239 1.00 56.77 ? 215 GLU A CD 1 ATOM 1013 O OE1 . GLU A 1 169 ? -7.784 -12.832 -43.100 1.00 59.61 ? 215 GLU A OE1 1 ATOM 1014 O OE2 . GLU A 1 169 ? -7.293 -14.664 -44.231 1.00 58.49 ? 215 GLU A OE2 1 ATOM 1015 N N . GLY A 1 170 ? -12.697 -13.760 -40.966 1.00 41.30 ? 216 GLY A N 1 ATOM 1016 C CA . GLY A 1 170 ? -13.848 -12.967 -41.337 1.00 42.13 ? 216 GLY A CA 1 ATOM 1017 C C . GLY A 1 170 ? -15.133 -13.734 -41.555 1.00 42.29 ? 216 GLY A C 1 ATOM 1018 O O . GLY A 1 170 ? -16.198 -13.111 -41.614 1.00 44.37 ? 216 GLY A O 1 ATOM 1019 N N . THR A 1 171 ? -15.083 -15.059 -41.680 1.00 40.25 ? 217 THR A N 1 ATOM 1020 C CA . THR A 1 171 ? -16.303 -15.822 -41.890 1.00 39.92 ? 217 THR A CA 1 ATOM 1021 C C . THR A 1 171 ? -17.052 -16.004 -40.569 1.00 39.18 ? 217 THR A C 1 ATOM 1022 O O . THR A 1 171 ? -16.572 -15.628 -39.488 1.00 38.66 ? 217 THR A O 1 ATOM 1023 C CB . THR A 1 171 ? -15.995 -17.181 -42.523 1.00 38.64 ? 217 THR A CB 1 ATOM 1024 O OG1 . THR A 1 171 ? -15.155 -17.939 -41.646 1.00 37.61 ? 217 THR A OG1 1 ATOM 1025 C CG2 . THR A 1 171 ? -15.282 -17.001 -43.867 1.00 38.74 ? 217 THR A CG2 1 ATOM 1026 N N . ASP A 1 172 ? -18.241 -16.591 -40.667 1.00 37.93 ? 218 ASP A N 1 ATOM 1027 C CA . ASP A 1 172 ? -19.149 -16.658 -39.522 1.00 38.07 ? 218 ASP A CA 1 ATOM 1028 C C . ASP A 1 172 ? -18.645 -17.667 -38.496 1.00 37.66 ? 218 ASP A C 1 ATOM 1029 O O . ASP A 1 172 ? -18.479 -18.851 -38.833 1.00 36.53 ? 218 ASP A O 1 ATOM 1030 C CB . ASP A 1 172 ? -20.572 -17.015 -39.985 1.00 37.65 ? 218 ASP A CB 1 ATOM 1031 C CG . ASP A 1 172 ? -21.609 -16.927 -38.854 1.00 36.52 ? 218 ASP A CG 1 ATOM 1032 O OD1 . ASP A 1 172 ? -21.267 -16.514 -37.720 1.00 35.23 ? 218 ASP A OD1 1 ATOM 1033 O OD2 . ASP A 1 172 ? -22.791 -17.248 -39.114 1.00 36.79 ? 218 ASP A OD2 1 ATOM 1034 N N . PRO A 1 173 ? -18.375 -17.255 -37.252 1.00 37.27 ? 219 PRO A N 1 ATOM 1035 C CA . PRO A 1 173 ? -18.043 -18.242 -36.224 1.00 36.67 ? 219 PRO A CA 1 ATOM 1036 C C . PRO A 1 173 ? -19.262 -18.990 -35.708 1.00 37.16 ? 219 PRO A C 1 ATOM 1037 O O . PRO A 1 173 ? -19.114 -20.110 -35.196 1.00 36.82 ? 219 PRO A O 1 ATOM 1038 C CB . PRO A 1 173 ? -17.394 -17.416 -35.117 1.00 35.30 ? 219 PRO A CB 1 ATOM 1039 C CG . PRO A 1 173 ? -17.812 -15.996 -35.372 1.00 36.06 ? 219 PRO A CG 1 ATOM 1040 C CD . PRO A 1 173 ? -18.189 -15.871 -36.807 1.00 37.67 ? 219 PRO A CD 1 ATOM 1041 N N . ASP A 1 174 ? -20.457 -18.424 -35.836 1.00 37.79 ? 220 ASP A N 1 ATOM 1042 C CA . ASP A 1 174 ? -21.655 -19.091 -35.355 1.00 39.47 ? 220 ASP A CA 1 ATOM 1043 C C . ASP A 1 174 ? -22.511 -19.568 -36.524 1.00 37.27 ? 220 ASP A C 1 ATOM 1044 O O . ASP A 1 174 ? -23.702 -19.263 -36.580 1.00 36.82 ? 220 ASP A O 1 ATOM 1045 C CB . ASP A 1 174 ? -22.432 -18.147 -34.437 1.00 46.19 ? 220 ASP A CB 1 ATOM 1046 C CG . ASP A 1 174 ? -23.443 -18.872 -33.566 1.00 52.26 ? 220 ASP A CG 1 ATOM 1047 O OD1 . ASP A 1 174 ? -23.199 -20.041 -33.189 1.00 52.63 ? 220 ASP A OD1 1 ATOM 1048 O OD2 . ASP A 1 174 ? -24.487 -18.264 -33.248 1.00 57.32 ? 220 ASP A OD2 1 ATOM 1049 N N . CYS A 1 175 ? -21.925 -20.331 -37.447 1.00 35.95 ? 221 CYS A N 1 ATOM 1050 C CA . CYS A 1 175 ? -22.637 -20.791 -38.631 1.00 35.89 ? 221 CYS A CA 1 ATOM 1051 C C . CYS A 1 175 ? -23.483 -22.022 -38.288 1.00 36.02 ? 221 CYS A C 1 ATOM 1052 O O . CYS A 1 175 ? -23.510 -22.499 -37.152 1.00 35.64 ? 221 CYS A O 1 ATOM 1053 C CB . CYS A 1 175 ? -21.653 -21.083 -39.766 1.00 35.22 ? 221 CYS A CB 1 ATOM 1054 S SG . CYS A 1 175 ? -20.790 -22.681 -39.694 1.00 34.65 ? 221 CYS A SG 1 ATOM 1055 N N . ALA A 1 176 ? -24.193 -22.548 -39.283 1.00 36.56 ? 222 ALA A N 1 ATOM 1056 C CA . ALA A 1 176 ? -25.119 -23.647 -39.039 1.00 35.95 ? 222 ALA A CA 1 ATOM 1057 C C . ALA A 1 176 ? -24.466 -25.019 -39.139 1.00 34.19 ? 222 ALA A C 1 ATOM 1058 O O . ALA A 1 176 ? -25.073 -26.015 -38.727 1.00 34.24 ? 222 ALA A O 1 ATOM 1059 C CB . ALA A 1 176 ? -26.300 -23.567 -40.013 1.00 33.08 ? 222 ALA A CB 1 ATOM 1060 N N . ASP A 1 177 ? -23.256 -25.092 -39.661 1.00 34.28 ? 223 ASP A N 1 ATOM 1061 C CA . ASP A 1 177 ? -22.538 -26.348 -39.757 1.00 35.01 ? 223 ASP A CA 1 ATOM 1062 C C . ASP A 1 177 ? -21.924 -26.724 -38.416 1.00 32.97 ? 223 ASP A C 1 ATOM 1063 O O . ASP A 1 177 ? -21.763 -25.879 -37.530 1.00 31.95 ? 223 ASP A O 1 ATOM 1064 C CB . ASP A 1 177 ? -21.443 -26.236 -40.811 1.00 38.04 ? 223 ASP A CB 1 ATOM 1065 C CG . ASP A 1 177 ? -21.991 -25.898 -42.170 1.00 42.03 ? 223 ASP A CG 1 ATOM 1066 O OD1 . ASP A 1 177 ? -23.141 -26.293 -42.465 1.00 43.69 ? 223 ASP A OD1 1 ATOM 1067 O OD2 . ASP A 1 177 ? -21.285 -25.214 -42.939 1.00 43.97 ? 223 ASP A OD2 1 ATOM 1068 N N . PRO A 1 178 ? -21.573 -27.998 -38.241 1.00 32.80 ? 224 PRO A N 1 ATOM 1069 C CA . PRO A 1 178 ? -20.869 -28.406 -37.014 1.00 31.92 ? 224 PRO A CA 1 ATOM 1070 C C . PRO A 1 178 ? -19.471 -27.797 -36.854 1.00 32.07 ? 224 PRO A C 1 ATOM 1071 O O . PRO A 1 178 ? -18.891 -27.895 -35.763 1.00 32.16 ? 224 PRO A O 1 ATOM 1072 C CB . PRO A 1 178 ? -20.804 -29.937 -37.129 1.00 30.98 ? 224 PRO A CB 1 ATOM 1073 C CG . PRO A 1 178 ? -21.335 -30.290 -38.482 1.00 31.92 ? 224 PRO A CG 1 ATOM 1074 C CD . PRO A 1 178 ? -22.137 -29.141 -38.975 1.00 33.03 ? 224 PRO A CD 1 ATOM 1075 N N . LEU A 1 179 ? -18.911 -27.184 -37.889 1.00 32.10 ? 225 LEU A N 1 ATOM 1076 C CA . LEU A 1 179 ? -17.629 -26.507 -37.784 1.00 31.42 ? 225 LEU A CA 1 ATOM 1077 C C . LEU A 1 179 ? -17.728 -25.240 -38.616 1.00 33.20 ? 225 LEU A C 1 ATOM 1078 O O . LEU A 1 179 ? -18.290 -25.260 -39.716 1.00 34.46 ? 225 LEU A O 1 ATOM 1079 C CB . LEU A 1 179 ? -16.484 -27.409 -38.270 1.00 30.14 ? 225 LEU A CB 1 ATOM 1080 C CG . LEU A 1 179 ? -15.045 -26.907 -38.099 1.00 30.05 ? 225 LEU A CG 1 ATOM 1081 C CD1 . LEU A 1 179 ? -14.685 -26.792 -36.619 1.00 26.03 ? 225 LEU A CD1 1 ATOM 1082 C CD2 . LEU A 1 179 ? -14.051 -27.791 -38.839 1.00 26.91 ? 225 LEU A CD2 1 ATOM 1083 N N . CYS A 1 180 ? -17.218 -24.134 -38.088 1.00 33.22 ? 226 CYS A N 1 ATOM 1084 C CA . CYS A 1 180 ? -17.390 -22.844 -38.745 1.00 33.89 ? 226 CYS A CA 1 ATOM 1085 C C . CYS A 1 180 ? -16.029 -22.191 -38.973 1.00 34.61 ? 226 CYS A C 1 ATOM 1086 O O . CYS A 1 180 ? -14.991 -22.863 -39.061 1.00 34.04 ? 226 CYS A O 1 ATOM 1087 C CB . CYS A 1 180 ? -18.360 -21.988 -37.925 1.00 33.50 ? 226 CYS A CB 1 ATOM 1088 S SG . CYS A 1 180 ? -19.996 -22.784 -37.797 1.00 33.68 ? 226 CYS A SG 1 ATOM 1089 N N . CYS A 1 181 ? -16.032 -20.860 -39.091 1.00 35.26 ? 227 CYS A N 1 ATOM 1090 C CA . CYS A 1 181 ? -14.839 -20.064 -39.365 1.00 36.17 ? 227 CYS A CA 1 ATOM 1091 C C . CYS A 1 181 ? -14.089 -20.535 -40.604 1.00 38.31 ? 227 CYS A C 1 ATOM 1092 O O . CYS A 1 181 ? -12.868 -20.346 -40.698 1.00 39.78 ? 227 CYS A O 1 ATOM 1093 C CB . CYS A 1 181 ? -13.865 -20.068 -38.183 1.00 34.58 ? 227 CYS A CB 1 ATOM 1094 S SG . CYS A 1 181 ? -14.528 -19.580 -36.597 1.00 35.13 ? 227 CYS A SG 1 ATOM 1095 N N . ARG A 1 182 ? -14.762 -21.163 -41.561 1.00 38.46 ? 228 ARG A N 1 ATOM 1096 C CA . ARG A 1 182 ? -14.057 -21.790 -42.665 1.00 39.22 ? 228 ARG A CA 1 ATOM 1097 C C . ARG A 1 182 ? -14.758 -21.451 -43.964 1.00 42.00 ? 228 ARG A C 1 ATOM 1098 O O . ARG A 1 182 ? -15.800 -20.790 -43.990 1.00 43.06 ? 228 ARG A O 1 ATOM 1099 C CB . ARG A 1 182 ? -13.946 -23.309 -42.480 1.00 37.79 ? 228 ARG A CB 1 ATOM 1100 C CG . ARG A 1 182 ? -15.182 -23.975 -41.925 1.00 37.04 ? 228 ARG A CG 1 ATOM 1101 C CD . ARG A 1 182 ? -14.877 -25.405 -41.517 1.00 37.42 ? 228 ARG A CD 1 ATOM 1102 N NE . ARG A 1 182 ? -15.075 -26.299 -42.644 1.00 42.36 ? 228 ARG A NE 1 ATOM 1103 C CZ . ARG A 1 182 ? -14.134 -27.012 -43.256 1.00 45.18 ? 228 ARG A CZ 1 ATOM 1104 N NH1 . ARG A 1 182 ? -12.879 -26.988 -42.843 1.00 45.01 ? 228 ARG A NH1 1 ATOM 1105 N NH2 . ARG A 1 182 ? -14.473 -27.778 -44.289 1.00 47.26 ? 228 ARG A NH2 1 ATOM 1106 N N . ARG A 1 183 ? -14.161 -21.905 -45.056 1.00 44.05 ? 229 ARG A N 1 ATOM 1107 C CA . ARG A 1 183 ? -14.791 -21.755 -46.353 1.00 47.35 ? 229 ARG A CA 1 ATOM 1108 C C . ARG A 1 183 ? -16.115 -22.512 -46.380 1.00 44.95 ? 229 ARG A C 1 ATOM 1109 O O . ARG A 1 183 ? -16.200 -23.668 -45.949 1.00 42.83 ? 229 ARG A O 1 ATOM 1110 C CB . ARG A 1 183 ? -13.854 -22.260 -47.444 1.00 53.25 ? 229 ARG A CB 1 ATOM 1111 C CG . ARG A 1 183 ? -14.416 -22.068 -48.829 1.00 60.44 ? 229 ARG A CG 1 ATOM 1112 C CD . ARG A 1 183 ? -14.823 -23.387 -49.435 1.00 64.81 ? 229 ARG A CD 1 ATOM 1113 N NE . ARG A 1 183 ? -13.718 -24.001 -50.177 1.00 68.01 ? 229 ARG A NE 1 ATOM 1114 C CZ . ARG A 1 183 ? -13.564 -23.922 -51.496 1.00 71.58 ? 229 ARG A CZ 1 ATOM 1115 N NH1 . ARG A 1 183 ? -14.456 -23.249 -52.219 1.00 73.47 ? 229 ARG A NH1 1 ATOM 1116 N NH2 . ARG A 1 183 ? -12.527 -24.529 -52.059 1.00 73.51 ? 229 ARG A NH2 1 ATOM 1117 N N . GLY A 1 184 ? -17.155 -21.858 -46.894 1.00 44.91 ? 230 GLY A N 1 ATOM 1118 C CA . GLY A 1 184 ? -18.487 -22.413 -46.873 1.00 43.45 ? 230 GLY A CA 1 ATOM 1119 C C . GLY A 1 184 ? -19.274 -22.113 -45.618 1.00 43.04 ? 230 GLY A C 1 ATOM 1120 O O . GLY A 1 184 ? -20.472 -22.428 -45.568 1.00 43.35 ? 230 GLY A O 1 ATOM 1121 N N . SER A 1 185 ? -18.638 -21.527 -44.597 1.00 42.23 ? 231 SER A N 1 ATOM 1122 C CA . SER A 1 185 ? -19.351 -21.093 -43.403 1.00 40.74 ? 231 SER A CA 1 ATOM 1123 C C . SER A 1 185 ? -20.203 -19.858 -43.650 1.00 43.29 ? 231 SER A C 1 ATOM 1124 O O . SER A 1 185 ? -21.142 -19.608 -42.885 1.00 44.51 ? 231 SER A O 1 ATOM 1125 C CB . SER A 1 185 ? -18.372 -20.796 -42.263 1.00 38.19 ? 231 SER A CB 1 ATOM 1126 O OG . SER A 1 185 ? -17.709 -21.969 -41.825 1.00 36.19 ? 231 SER A OG 1 ATOM 1127 N N . GLY A 1 186 ? -19.899 -19.075 -44.681 1.00 44.17 ? 232 GLY A N 1 ATOM 1128 C CA . GLY A 1 186 ? -20.657 -17.871 -44.929 1.00 38.11 ? 232 GLY A CA 1 ATOM 1129 C C . GLY A 1 186 ? -20.212 -16.716 -44.047 1.00 48.45 ? 232 GLY A C 1 ATOM 1130 O O . GLY A 1 186 ? -19.212 -16.776 -43.324 1.00 37.39 ? 232 GLY A O 1 ATOM 1131 N N . LEU A 1 187 ? -20.994 -15.620 -44.124 1.00 47.95 ? 233 LEU A N 1 ATOM 1132 C CA . LEU A 1 187 ? -20.652 -14.376 -43.456 1.00 45.83 ? 233 LEU A CA 1 ATOM 1133 C C . LEU A 1 187 ? -21.418 -14.239 -42.147 1.00 43.83 ? 233 LEU A C 1 ATOM 1134 O O . LEU A 1 187 ? -22.547 -14.721 -42.023 1.00 43.26 ? 233 LEU A O 1 ATOM 1135 C CB . LEU A 1 187 ? -20.967 -13.174 -44.357 1.00 46.66 ? 233 LEU A CB 1 ATOM 1136 C CG . LEU A 1 187 ? -20.129 -12.976 -45.633 1.00 46.28 ? 233 LEU A CG 1 ATOM 1137 C CD1 . LEU A 1 187 ? -20.271 -11.553 -46.203 1.00 47.05 ? 233 LEU A CD1 1 ATOM 1138 C CD2 . LEU A 1 187 ? -18.656 -13.311 -45.378 1.00 44.90 ? 233 LEU A CD2 1 ATOM 1139 N N . PRO A 1 188 ? -20.828 -13.598 -41.143 1.00 43.09 ? 234 PRO A N 1 ATOM 1140 C CA . PRO A 1 188 ? -21.581 -13.304 -39.903 1.00 42.60 ? 234 PRO A CA 1 ATOM 1141 C C . PRO A 1 188 ? -22.564 -12.178 -40.144 1.00 45.07 ? 234 PRO A C 1 ATOM 1142 O O . PRO A 1 188 ? -22.446 -11.485 -41.169 1.00 45.60 ? 234 PRO A O 1 ATOM 1143 C CB . PRO A 1 188 ? -20.466 -12.900 -38.925 1.00 40.91 ? 234 PRO A CB 1 ATOM 1144 C CG . PRO A 1 188 ? -19.447 -12.224 -39.821 1.00 41.48 ? 234 PRO A CG 1 ATOM 1145 C CD . PRO A 1 188 ? -19.478 -12.982 -41.133 1.00 42.13 ? 234 PRO A CD 1 ATOM 1146 N N . PRO A 1 189 ? -23.504 -11.943 -39.235 1.00 46.34 ? 235 PRO A N 1 ATOM 1147 C CA . PRO A 1 189 ? -24.284 -10.711 -39.303 1.00 47.32 ? 235 PRO A CA 1 ATOM 1148 C C . PRO A 1 189 ? -23.389 -9.495 -39.093 1.00 48.36 ? 235 PRO A C 1 ATOM 1149 O O . PRO A 1 189 ? -22.273 -9.598 -38.580 1.00 47.64 ? 235 PRO A O 1 ATOM 1150 C CB . PRO A 1 189 ? -25.306 -10.865 -38.183 1.00 46.64 ? 235 PRO A CB 1 ATOM 1151 C CG . PRO A 1 189 ? -25.174 -12.309 -37.696 1.00 44.95 ? 235 PRO A CG 1 ATOM 1152 C CD . PRO A 1 189 ? -23.812 -12.761 -38.065 1.00 44.18 ? 235 PRO A CD 1 ATOM 1153 N N . ALA A 1 190 ? -23.898 -8.314 -39.488 1.00 50.58 ? 236 ALA A N 1 ATOM 1154 C CA . ALA A 1 190 ? -23.143 -7.060 -39.281 1.00 51.75 ? 236 ALA A CA 1 ATOM 1155 C C . ALA A 1 190 ? -22.940 -6.739 -37.805 1.00 51.70 ? 236 ALA A C 1 ATOM 1156 O O . ALA A 1 190 ? -22.085 -5.920 -37.482 1.00 51.89 ? 236 ALA A O 1 ATOM 1157 C CB . ALA A 1 190 ? -23.855 -5.890 -39.962 1.00 47.55 ? 236 ALA A CB 1 ATOM 1158 N N . SER A 1 191 ? -23.710 -7.374 -36.911 1.00 51.95 ? 237 SER A N 1 ATOM 1159 C CA . SER A 1 191 ? -23.638 -7.103 -35.480 1.00 52.85 ? 237 SER A CA 1 ATOM 1160 C C . SER A 1 191 ? -22.497 -7.833 -34.779 1.00 52.12 ? 237 SER A C 1 ATOM 1161 O O . SER A 1 191 ? -22.054 -7.381 -33.718 1.00 51.00 ? 237 SER A O 1 ATOM 1162 C CB . SER A 1 191 ? -24.962 -7.488 -34.816 1.00 53.75 ? 237 SER A CB 1 ATOM 1163 O OG . SER A 1 191 ? -25.234 -8.862 -35.012 1.00 53.44 ? 237 SER A OG 1 ATOM 1164 N N . ARG A 1 192 ? -22.029 -8.955 -35.328 1.00 53.26 ? 238 ARG A N 1 ATOM 1165 C CA . ARG A 1 192 ? -20.923 -9.730 -34.789 1.00 53.71 ? 238 ARG A CA 1 ATOM 1166 C C . ARG A 1 192 ? -19.743 -9.706 -35.759 1.00 51.70 ? 238 ARG A C 1 ATOM 1167 O O . ARG A 1 192 ? -19.924 -9.532 -36.970 1.00 52.49 ? 238 ARG A O 1 ATOM 1168 C CB . ARG A 1 192 ? -21.338 -11.188 -34.488 1.00 56.49 ? 238 ARG A CB 1 ATOM 1169 C CG . ARG A 1 192 ? -22.759 -11.319 -33.900 1.00 62.27 ? 238 ARG A CG 1 ATOM 1170 C CD . ARG A 1 192 ? -23.432 -12.652 -34.130 1.00 66.95 ? 238 ARG A CD 1 ATOM 1171 N NE . ARG A 1 192 ? -24.855 -12.611 -33.745 1.00 73.55 ? 238 ARG A NE 1 ATOM 1172 C CZ . ARG A 1 192 ? -25.766 -13.538 -34.056 1.00 72.86 ? 238 ARG A CZ 1 ATOM 1173 N NH1 . ARG A 1 192 ? -25.388 -14.606 -34.747 1.00 72.22 ? 238 ARG A NH1 1 ATOM 1174 N NH2 . ARG A 1 192 ? -27.027 -13.389 -33.652 1.00 73.20 ? 238 ARG A NH2 1 ATOM 1175 N N . PRO A 1 193 ? -18.523 -9.833 -35.249 1.00 48.25 ? 239 PRO A N 1 ATOM 1176 C CA . PRO A 1 193 ? -17.353 -9.908 -36.128 1.00 47.09 ? 239 PRO A CA 1 ATOM 1177 C C . PRO A 1 193 ? -17.156 -11.312 -36.680 1.00 45.85 ? 239 PRO A C 1 ATOM 1178 O O . PRO A 1 193 ? -17.665 -12.303 -36.152 1.00 45.46 ? 239 PRO A O 1 ATOM 1179 C CB . PRO A 1 193 ? -16.186 -9.508 -35.212 1.00 45.05 ? 239 PRO A CB 1 ATOM 1180 C CG . PRO A 1 193 ? -16.821 -9.032 -33.916 1.00 44.76 ? 239 PRO A CG 1 ATOM 1181 C CD . PRO A 1 193 ? -18.141 -9.713 -33.837 1.00 45.71 ? 239 PRO A CD 1 ATOM 1182 N N . GLY A 1 194 ? -16.418 -11.372 -37.785 1.00 45.46 ? 240 GLY A N 1 ATOM 1183 C CA . GLY A 1 194 ? -16.042 -12.635 -38.378 1.00 36.79 ? 240 GLY A CA 1 ATOM 1184 C C . GLY A 1 194 ? -14.953 -13.328 -37.582 1.00 39.74 ? 240 GLY A C 1 ATOM 1185 O O . GLY A 1 194 ? -14.447 -12.821 -36.582 1.00 35.16 ? 240 GLY A O 1 ATOM 1186 N N . ALA A 1 195 ? -14.584 -14.521 -38.046 1.00 38.66 ? 241 ALA A N 1 ATOM 1187 C CA . ALA A 1 195 ? -13.566 -15.304 -37.349 1.00 37.00 ? 241 ALA A CA 1 ATOM 1188 C C . ALA A 1 195 ? -12.242 -14.548 -37.265 1.00 36.96 ? 241 ALA A C 1 ATOM 1189 O O . ALA A 1 195 ? -11.757 -13.993 -38.256 1.00 37.94 ? 241 ALA A O 1 ATOM 1190 C CB . ALA A 1 195 ? -13.355 -16.644 -38.048 1.00 36.00 ? 241 ALA A CB 1 ATOM 1191 N N . GLY A 1 196 ? -11.655 -14.539 -36.074 1.00 36.28 ? 242 GLY A N 1 ATOM 1192 C CA . GLY A 1 196 ? -10.375 -13.887 -35.888 1.00 37.02 ? 242 GLY A CA 1 ATOM 1193 C C . GLY A 1 196 ? -9.286 -14.481 -36.765 1.00 36.84 ? 242 GLY A C 1 ATOM 1194 O O . GLY A 1 196 ? -9.385 -15.599 -37.283 1.00 36.14 ? 242 GLY A O 1 ATOM 1195 N N . TYR A 1 197 ? -8.219 -13.700 -36.934 1.00 36.97 ? 243 TYR A N 1 ATOM 1196 C CA . TYR A 1 197 ? -7.143 -14.124 -37.820 1.00 37.10 ? 243 TYR A CA 1 ATOM 1197 C C . TYR A 1 197 ? -6.453 -15.384 -37.304 1.00 34.68 ? 243 TYR A C 1 ATOM 1198 O O . TYR A 1 197 ? -6.142 -16.290 -38.085 1.00 34.10 ? 243 TYR A O 1 ATOM 1199 C CB . TYR A 1 197 ? -6.142 -12.989 -37.997 1.00 39.07 ? 243 TYR A CB 1 ATOM 1200 C CG . TYR A 1 197 ? -5.049 -13.296 -38.990 1.00 42.09 ? 243 TYR A CG 1 ATOM 1201 C CD1 . TYR A 1 197 ? -5.301 -13.275 -40.361 1.00 44.00 ? 243 TYR A CD1 1 ATOM 1202 C CD2 . TYR A 1 197 ? -3.758 -13.597 -38.563 1.00 42.87 ? 243 TYR A CD2 1 ATOM 1203 C CE1 . TYR A 1 197 ? -4.296 -13.552 -41.281 1.00 45.48 ? 243 TYR A CE1 1 ATOM 1204 C CE2 . TYR A 1 197 ? -2.747 -13.868 -39.475 1.00 44.35 ? 243 TYR A CE2 1 ATOM 1205 C CZ . TYR A 1 197 ? -3.023 -13.848 -40.833 1.00 45.63 ? 243 TYR A CZ 1 ATOM 1206 O OH . TYR A 1 197 ? -2.025 -14.127 -41.739 1.00 46.71 ? 243 TYR A OH 1 ATOM 1207 N N . TRP A 1 198 ? -6.218 -15.471 -35.994 1.00 33.00 ? 244 TRP A N 1 ATOM 1208 C CA . TRP A 1 198 ? -5.522 -16.624 -35.436 1.00 32.99 ? 244 TRP A CA 1 ATOM 1209 C C . TRP A 1 198 ? -6.455 -17.739 -34.980 1.00 32.20 ? 244 TRP A C 1 ATOM 1210 O O . TRP A 1 198 ? -5.969 -18.823 -34.647 1.00 31.71 ? 244 TRP A O 1 ATOM 1211 C CB . TRP A 1 198 ? -4.633 -16.183 -34.269 1.00 31.99 ? 244 TRP A CB 1 ATOM 1212 C CG . TRP A 1 198 ? -3.647 -15.194 -34.732 1.00 33.66 ? 244 TRP A CG 1 ATOM 1213 C CD1 . TRP A 1 198 ? -3.671 -13.847 -34.519 1.00 35.02 ? 244 TRP A CD1 1 ATOM 1214 C CD2 . TRP A 1 198 ? -2.501 -15.454 -35.551 1.00 35.06 ? 244 TRP A CD2 1 ATOM 1215 N NE1 . TRP A 1 198 ? -2.598 -13.253 -35.144 1.00 36.92 ? 244 TRP A NE1 1 ATOM 1216 C CE2 . TRP A 1 198 ? -1.866 -14.218 -35.784 1.00 37.22 ? 244 TRP A CE2 1 ATOM 1217 C CE3 . TRP A 1 198 ? -1.944 -16.615 -36.100 1.00 34.89 ? 244 TRP A CE3 1 ATOM 1218 C CZ2 . TRP A 1 198 ? -0.696 -14.110 -36.541 1.00 38.31 ? 244 TRP A CZ2 1 ATOM 1219 C CZ3 . TRP A 1 198 ? -0.786 -16.508 -36.854 1.00 36.11 ? 244 TRP A CZ3 1 ATOM 1220 C CH2 . TRP A 1 198 ? -0.168 -15.267 -37.058 1.00 37.44 ? 244 TRP A CH2 1 ATOM 1221 N N . GLY A 1 199 ? -7.757 -17.512 -34.976 1.00 29.82 ? 245 GLY A N 1 ATOM 1222 C CA . GLY A 1 199 ? -8.702 -18.453 -34.409 1.00 28.80 ? 245 GLY A CA 1 ATOM 1223 C C . GLY A 1 199 ? -9.860 -17.715 -33.775 1.00 35.37 ? 245 GLY A C 1 ATOM 1224 O O . GLY A 1 199 ? -9.862 -16.488 -33.659 1.00 36.12 ? 245 GLY A O 1 ATOM 1225 N N . GLU A 1 200 ? -10.864 -18.494 -33.360 1.00 34.75 ? 246 GLU A N 1 ATOM 1226 C CA . GLU A 1 200 ? -12.081 -17.940 -32.785 1.00 36.03 ? 246 GLU A CA 1 ATOM 1227 C C . GLU A 1 200 ? -12.520 -18.757 -31.580 1.00 33.70 ? 246 GLU A C 1 ATOM 1228 O O . GLU A 1 200 ? -12.286 -19.966 -31.509 1.00 33.15 ? 246 GLU A O 1 ATOM 1229 C CB . GLU A 1 200 ? -13.237 -17.888 -33.809 1.00 38.91 ? 246 GLU A CB 1 ATOM 1230 C CG . GLU A 1 200 ? -14.300 -16.870 -33.455 1.00 42.09 ? 246 GLU A CG 1 ATOM 1231 C CD . GLU A 1 200 ? -13.679 -15.521 -33.150 1.00 43.83 ? 246 GLU A CD 1 ATOM 1232 O OE1 . GLU A 1 200 ? -13.413 -15.227 -31.949 1.00 44.63 ? 246 GLU A OE1 1 ATOM 1233 O OE2 . GLU A 1 200 ? -13.407 -14.761 -34.111 1.00 44.56 ? 246 GLU A OE2 1 ATOM 1234 N N . TYR A 1 201 ? -13.185 -18.073 -30.646 1.00 32.72 ? 247 TYR A N 1 ATOM 1235 C CA . TYR A 1 201 ? -13.784 -18.675 -29.456 1.00 31.20 ? 247 TYR A CA 1 ATOM 1236 C C . TYR A 1 201 ? -15.116 -19.355 -29.785 1.00 31.44 ? 247 TYR A C 1 ATOM 1237 O O . TYR A 1 201 ? -16.167 -19.015 -29.246 1.00 31.85 ? 247 TYR A O 1 ATOM 1238 C CB . TYR A 1 201 ? -13.998 -17.603 -28.395 1.00 30.88 ? 247 TYR A CB 1 ATOM 1239 C CG . TYR A 1 201 ? -12.748 -17.061 -27.750 1.00 31.26 ? 247 TYR A CG 1 ATOM 1240 C CD1 . TYR A 1 201 ? -11.807 -17.917 -27.185 1.00 31.06 ? 247 TYR A CD1 1 ATOM 1241 C CD2 . TYR A 1 201 ? -12.520 -15.693 -27.678 1.00 32.33 ? 247 TYR A CD2 1 ATOM 1242 C CE1 . TYR A 1 201 ? -10.666 -17.422 -26.575 1.00 32.30 ? 247 TYR A CE1 1 ATOM 1243 C CE2 . TYR A 1 201 ? -11.377 -15.186 -27.081 1.00 34.03 ? 247 TYR A CE2 1 ATOM 1244 C CZ . TYR A 1 201 ? -10.456 -16.051 -26.528 1.00 34.23 ? 247 TYR A CZ 1 ATOM 1245 O OH . TYR A 1 201 ? -9.333 -15.543 -25.923 1.00 35.27 ? 247 TYR A OH 1 ATOM 1246 N N . SER A 1 202 ? -15.072 -20.337 -30.679 1.00 30.25 ? 248 SER A N 1 ATOM 1247 C CA . SER A 1 202 ? -16.315 -20.924 -31.156 1.00 29.73 ? 248 SER A CA 1 ATOM 1248 C C . SER A 1 202 ? -16.060 -22.375 -31.561 1.00 29.54 ? 248 SER A C 1 ATOM 1249 O O . SER A 1 202 ? -15.054 -22.978 -31.174 1.00 28.61 ? 248 SER A O 1 ATOM 1250 C CB . SER A 1 202 ? -16.880 -20.083 -32.302 1.00 29.85 ? 248 SER A CB 1 ATOM 1251 O OG . SER A 1 202 ? -18.087 -20.650 -32.785 1.00 30.23 ? 248 SER A OG 1 ATOM 1252 N N . LYS A 1 203 ? -16.994 -22.947 -32.330 1.00 29.65 ? 249 LYS A N 1 ATOM 1253 C CA . LYS A 1 203 ? -16.833 -24.306 -32.850 1.00 29.19 ? 249 LYS A CA 1 ATOM 1254 C C . LYS A 1 203 ? -16.013 -24.230 -34.137 1.00 29.52 ? 249 LYS A C 1 ATOM 1255 O O . LYS A 1 203 ? -16.491 -24.453 -35.253 1.00 30.88 ? 249 LYS A O 1 ATOM 1256 C CB . LYS A 1 203 ? -18.182 -24.981 -33.062 1.00 28.49 ? 249 LYS A CB 1 ATOM 1257 C CG . LYS A 1 203 ? -19.216 -24.111 -33.765 1.00 29.43 ? 249 LYS A CG 1 ATOM 1258 C CD . LYS A 1 203 ? -20.482 -24.894 -34.096 1.00 29.15 ? 249 LYS A CD 1 ATOM 1259 C CE . LYS A 1 203 ? -21.551 -24.000 -34.712 1.00 29.92 ? 249 LYS A CE 1 ATOM 1260 N NZ . LYS A 1 203 ? -22.711 -24.803 -35.153 1.00 28.34 ? 249 LYS A NZ 1 ATOM 1261 N N . CYS A 1 204 ? -14.742 -23.891 -33.956 1.00 29.33 ? 250 CYS A N 1 ATOM 1262 C CA . CYS A 1 204 ? -13.813 -23.682 -35.057 1.00 30.63 ? 250 CYS A CA 1 ATOM 1263 C C . CYS A 1 204 ? -12.469 -24.293 -34.693 1.00 30.42 ? 250 CYS A C 1 ATOM 1264 O O . CYS A 1 204 ? -12.121 -24.402 -33.513 1.00 30.10 ? 250 CYS A O 1 ATOM 1265 C CB . CYS A 1 204 ? -13.648 -22.188 -35.380 1.00 31.03 ? 250 CYS A CB 1 ATOM 1266 S SG . CYS A 1 204 ? -15.183 -21.356 -35.858 1.00 33.27 ? 250 CYS A SG 1 ATOM 1267 N N . ASP A 1 205 ? -11.720 -24.703 -35.716 1.00 30.11 ? 251 ASP A N 1 ATOM 1268 C CA . ASP A 1 205 ? -10.400 -25.276 -35.531 1.00 28.99 ? 251 ASP A CA 1 ATOM 1269 C C . ASP A 1 205 ? -9.342 -24.266 -35.999 1.00 29.03 ? 251 ASP A C 1 ATOM 1270 O O . ASP A 1 205 ? -9.632 -23.066 -36.115 1.00 27.53 ? 251 ASP A O 1 ATOM 1271 C CB . ASP A 1 205 ? -10.359 -26.637 -36.227 1.00 29.57 ? 251 ASP A CB 1 ATOM 1272 C CG . ASP A 1 205 ? -10.973 -27.734 -35.362 1.00 30.77 ? 251 ASP A CG 1 ATOM 1273 O OD1 . ASP A 1 205 ? -10.759 -27.673 -34.132 1.00 29.05 ? 251 ASP A OD1 1 ATOM 1274 O OD2 . ASP A 1 205 ? -11.677 -28.636 -35.886 1.00 32.46 ? 251 ASP A OD2 1 ATOM 1275 N N . LEU A 1 206 ? -8.097 -24.747 -36.242 1.00 30.35 ? 252 LEU A N 1 ATOM 1276 C CA . LEU A 1 206 ? -6.969 -23.820 -36.366 1.00 31.37 ? 252 LEU A CA 1 ATOM 1277 C C . LEU A 1 206 ? -6.463 -23.673 -37.799 1.00 32.67 ? 252 LEU A C 1 ATOM 1278 O O . LEU A 1 206 ? -6.312 -24.669 -38.521 1.00 33.17 ? 252 LEU A O 1 ATOM 1279 C CB . LEU A 1 206 ? -5.800 -24.256 -35.476 1.00 30.64 ? 252 LEU A CB 1 ATOM 1280 C CG . LEU A 1 206 ? -6.061 -24.083 -33.980 1.00 30.70 ? 252 LEU A CG 1 ATOM 1281 C CD1 . LEU A 1 206 ? -4.792 -24.318 -33.173 1.00 24.94 ? 252 LEU A CD1 1 ATOM 1282 C CD2 . LEU A 1 206 ? -6.631 -22.689 -33.694 1.00 25.88 ? 252 LEU A CD2 1 ATOM 1283 N N . PRO A 1 207 ? -6.202 -22.439 -38.230 1.00 33.23 ? 253 PRO A N 1 ATOM 1284 C CA . PRO A 1 207 ? -5.416 -22.231 -39.454 1.00 35.86 ? 253 PRO A CA 1 ATOM 1285 C C . PRO A 1 207 ? -3.985 -22.697 -39.236 1.00 38.01 ? 253 PRO A C 1 ATOM 1286 O O . PRO A 1 207 ? -3.461 -22.631 -38.123 1.00 38.94 ? 253 PRO A O 1 ATOM 1287 C CB . PRO A 1 207 ? -5.478 -20.713 -39.669 1.00 35.13 ? 253 PRO A CB 1 ATOM 1288 C CG . PRO A 1 207 ? -5.800 -20.149 -38.304 1.00 33.84 ? 253 PRO A CG 1 ATOM 1289 C CD . PRO A 1 207 ? -6.671 -21.177 -37.635 1.00 32.72 ? 253 PRO A CD 1 ATOM 1290 N N . LEU A 1 208 ? -3.335 -23.158 -40.314 1.00 38.84 ? 254 LEU A N 1 ATOM 1291 C CA . LEU A 1 208 ? -1.987 -23.709 -40.151 1.00 38.12 ? 254 LEU A CA 1 ATOM 1292 C C . LEU A 1 208 ? -1.020 -22.682 -39.563 1.00 36.99 ? 254 LEU A C 1 ATOM 1293 O O . LEU A 1 208 ? -0.092 -23.053 -38.835 1.00 34.80 ? 254 LEU A O 1 ATOM 1294 C CB . LEU A 1 208 ? -1.455 -24.242 -41.484 1.00 38.05 ? 254 LEU A CB 1 ATOM 1295 C CG . LEU A 1 208 ? -0.100 -24.966 -41.405 1.00 37.15 ? 254 LEU A CG 1 ATOM 1296 C CD1 . LEU A 1 208 ? -0.213 -26.301 -40.663 1.00 35.32 ? 254 LEU A CD1 1 ATOM 1297 C CD2 . LEU A 1 208 ? 0.461 -25.177 -42.790 1.00 37.65 ? 254 LEU A CD2 1 ATOM 1298 N N . ARG A 1 209 ? -1.238 -21.393 -39.840 1.00 38.10 ? 255 ARG A N 1 ATOM 1299 C CA . ARG A 1 209 ? -0.351 -20.355 -39.319 1.00 38.75 ? 255 ARG A CA 1 ATOM 1300 C C . ARG A 1 209 ? -0.352 -20.290 -37.793 1.00 38.73 ? 255 ARG A C 1 ATOM 1301 O O . ARG A 1 209 ? 0.656 -19.889 -37.197 1.00 39.40 ? 255 ARG A O 1 ATOM 1302 C CB . ARG A 1 209 ? -0.744 -18.998 -39.893 1.00 38.70 ? 255 ARG A CB 1 ATOM 1303 C CG . ARG A 1 209 ? -2.184 -18.643 -39.642 1.00 37.88 ? 255 ARG A CG 1 ATOM 1304 C CD . ARG A 1 209 ? -2.450 -17.200 -39.986 1.00 39.36 ? 255 ARG A CD 1 ATOM 1305 N NE . ARG A 1 209 ? -3.877 -16.920 -39.938 1.00 39.80 ? 255 ARG A NE 1 ATOM 1306 C CZ . ARG A 1 209 ? -4.673 -16.931 -41.001 1.00 41.11 ? 255 ARG A CZ 1 ATOM 1307 N NH1 . ARG A 1 209 ? -4.163 -17.188 -42.203 1.00 42.09 ? 255 ARG A NH1 1 ATOM 1308 N NH2 . ARG A 1 209 ? -5.973 -16.673 -40.864 1.00 40.58 ? 255 ARG A NH2 1 ATOM 1309 N N . THR A 1 210 ? -1.468 -20.649 -37.140 1.00 36.76 ? 256 THR A N 1 ATOM 1310 C CA . THR A 1 210 ? -1.492 -20.622 -35.678 1.00 35.14 ? 256 THR A CA 1 ATOM 1311 C C . THR A 1 210 ? -0.721 -21.805 -35.101 1.00 33.08 ? 256 THR A C 1 ATOM 1312 O O . THR A 1 210 ? -0.065 -21.677 -34.059 1.00 31.66 ? 256 THR A O 1 ATOM 1313 C CB . THR A 1 210 ? -2.937 -20.599 -35.161 1.00 35.61 ? 256 THR A CB 1 ATOM 1314 O OG1 . THR A 1 210 ? -3.687 -19.598 -35.856 1.00 38.13 ? 256 THR A OG1 1 ATOM 1315 C CG2 . THR A 1 210 ? -2.982 -20.283 -33.680 1.00 34.57 ? 256 THR A CG2 1 ATOM 1316 N N . LEU A 1 211 ? -0.780 -22.959 -35.770 1.00 32.98 ? 257 LEU A N 1 ATOM 1317 C CA . LEU A 1 211 ? 0.113 -24.067 -35.443 1.00 32.42 ? 257 LEU A CA 1 ATOM 1318 C C . LEU A 1 211 ? 1.572 -23.673 -35.657 1.00 34.83 ? 257 LEU A C 1 ATOM 1319 O O . LEU A 1 211 ? 2.440 -23.974 -34.826 1.00 34.43 ? 257 LEU A O 1 ATOM 1320 C CB . LEU A 1 211 ? -0.252 -25.283 -36.297 1.00 32.66 ? 257 LEU A CB 1 ATOM 1321 C CG . LEU A 1 211 ? -1.137 -26.381 -35.705 1.00 32.25 ? 257 LEU A CG 1 ATOM 1322 C CD1 . LEU A 1 211 ? -1.859 -25.893 -34.451 1.00 31.78 ? 257 LEU A CD1 1 ATOM 1323 C CD2 . LEU A 1 211 ? -2.130 -26.908 -36.735 1.00 31.73 ? 257 LEU A CD2 1 ATOM 1324 N N . GLU A 1 212 ? 1.865 -22.996 -36.769 1.00 37.38 ? 258 GLU A N 1 ATOM 1325 C CA . GLU A 1 212 ? 3.213 -22.487 -36.981 1.00 39.10 ? 258 GLU A CA 1 ATOM 1326 C C . GLU A 1 212 ? 3.614 -21.514 -35.876 1.00 37.92 ? 258 GLU A C 1 ATOM 1327 O O . GLU A 1 212 ? 4.739 -21.571 -35.366 1.00 38.05 ? 258 GLU A O 1 ATOM 1328 C CB . GLU A 1 212 ? 3.312 -21.820 -38.354 1.00 42.97 ? 258 GLU A CB 1 ATOM 1329 C CG . GLU A 1 212 ? 4.673 -21.192 -38.620 1.00 47.08 ? 258 GLU A CG 1 ATOM 1330 C CD . GLU A 1 212 ? 4.817 -20.673 -40.035 1.00 51.35 ? 258 GLU A CD 1 ATOM 1331 O OE1 . GLU A 1 212 ? 3.936 -19.908 -40.489 1.00 52.85 ? 258 GLU A OE1 1 ATOM 1332 O OE2 . GLU A 1 212 ? 5.819 -21.032 -40.695 1.00 53.23 ? 258 GLU A OE2 1 ATOM 1333 N N . SER A 1 213 ? 2.707 -20.614 -35.491 1.00 36.24 ? 259 SER A N 1 ATOM 1334 C CA . SER A 1 213 ? 3.008 -19.672 -34.418 1.00 35.30 ? 259 SER A CA 1 ATOM 1335 C C . SER A 1 213 ? 3.310 -20.399 -33.109 1.00 33.27 ? 259 SER A C 1 ATOM 1336 O O . SER A 1 213 ? 4.210 -20.002 -32.359 1.00 28.80 ? 259 SER A O 1 ATOM 1337 C CB . SER A 1 213 ? 1.841 -18.696 -34.251 1.00 35.98 ? 259 SER A CB 1 ATOM 1338 O OG . SER A 1 213 ? 1.978 -17.904 -33.081 1.00 36.20 ? 259 SER A OG 1 ATOM 1339 N N . LEU A 1 214 ? 2.585 -21.482 -32.834 1.00 30.66 ? 260 LEU A N 1 ATOM 1340 C CA . LEU A 1 214 ? 2.777 -22.207 -31.584 1.00 28.79 ? 260 LEU A CA 1 ATOM 1341 C C . LEU A 1 214 ? 4.189 -22.763 -31.487 1.00 28.98 ? 260 LEU A C 1 ATOM 1342 O O . LEU A 1 214 ? 4.874 -22.591 -30.466 1.00 27.51 ? 260 LEU A O 1 ATOM 1343 C CB . LEU A 1 214 ? 1.753 -23.334 -31.475 1.00 26.63 ? 260 LEU A CB 1 ATOM 1344 C CG . LEU A 1 214 ? 1.796 -24.210 -30.211 1.00 24.56 ? 260 LEU A CG 1 ATOM 1345 C CD1 . LEU A 1 214 ? 0.412 -24.810 -30.027 1.00 23.85 ? 260 LEU A CD1 1 ATOM 1346 C CD2 . LEU A 1 214 ? 2.865 -25.336 -30.185 1.00 24.41 ? 260 LEU A CD2 1 ATOM 1347 N N . LEU A 1 215 ? 4.635 -23.447 -32.546 1.00 29.54 ? 261 LEU A N 1 ATOM 1348 C CA . LEU A 1 215 ? 5.937 -24.098 -32.530 1.00 29.25 ? 261 LEU A CA 1 ATOM 1349 C C . LEU A 1 215 ? 7.072 -23.098 -32.651 1.00 30.12 ? 261 LEU A C 1 ATOM 1350 O O . LEU A 1 215 ? 8.185 -23.371 -32.175 1.00 30.51 ? 261 LEU A O 1 ATOM 1351 C CB . LEU A 1 215 ? 6.009 -25.130 -33.655 1.00 28.77 ? 261 LEU A CB 1 ATOM 1352 C CG . LEU A 1 215 ? 4.940 -26.228 -33.594 1.00 27.78 ? 261 LEU A CG 1 ATOM 1353 C CD1 . LEU A 1 215 ? 4.723 -26.798 -34.990 1.00 27.70 ? 261 LEU A CD1 1 ATOM 1354 C CD2 . LEU A 1 215 ? 5.340 -27.326 -32.610 1.00 27.35 ? 261 LEU A CD2 1 ATOM 1355 N N . SER A 1 216 ? 6.803 -21.946 -33.269 1.00 30.76 ? 262 SER A N 1 ATOM 1356 C CA . SER A 1 216 ? 7.801 -20.896 -33.425 1.00 32.23 ? 262 SER A CA 1 ATOM 1357 C C . SER A 1 216 ? 8.035 -20.129 -32.129 1.00 32.70 ? 262 SER A C 1 ATOM 1358 O O . SER A 1 216 ? 9.074 -19.478 -31.987 1.00 35.33 ? 262 SER A O 1 ATOM 1359 C CB . SER A 1 216 ? 7.351 -19.951 -34.554 1.00 32.82 ? 262 SER A CB 1 ATOM 1360 O OG . SER A 1 216 ? 8.298 -18.933 -34.791 1.00 34.69 ? 262 SER A OG 1 ATOM 1361 N N . GLY A 1 217 ? 7.105 -20.205 -31.180 1.00 30.50 ? 263 GLY A N 1 ATOM 1362 C CA . GLY A 1 217 ? 7.257 -19.544 -29.904 1.00 28.86 ? 263 GLY A CA 1 ATOM 1363 C C . GLY A 1 217 ? 7.704 -20.444 -28.760 1.00 28.70 ? 263 GLY A C 1 ATOM 1364 O O . GLY A 1 217 ? 7.666 -20.022 -27.599 1.00 29.34 ? 263 GLY A O 1 ATOM 1365 N N . LEU A 1 218 ? 8.160 -21.668 -29.066 1.00 28.50 ? 264 LEU A N 1 ATOM 1366 C CA . LEU A 1 218 ? 8.543 -22.660 -28.063 1.00 28.51 ? 264 LEU A CA 1 ATOM 1367 C C . LEU A 1 218 ? 9.826 -22.334 -27.301 1.00 32.24 ? 264 LEU A C 1 ATOM 1368 O O . LEU A 1 218 ? 10.088 -22.978 -26.274 1.00 32.83 ? 264 LEU A O 1 ATOM 1369 C CB . LEU A 1 218 ? 8.712 -24.037 -28.718 1.00 27.75 ? 264 LEU A CB 1 ATOM 1370 C CG . LEU A 1 218 ? 7.430 -24.805 -29.045 1.00 28.27 ? 264 LEU A CG 1 ATOM 1371 C CD1 . LEU A 1 218 ? 7.733 -26.074 -29.829 1.00 28.65 ? 264 LEU A CD1 1 ATOM 1372 C CD2 . LEU A 1 218 ? 6.624 -25.122 -27.781 1.00 24.49 ? 264 LEU A CD2 1 ATOM 1373 N N . GLY A 1 219 ? 10.635 -21.382 -27.769 1.00 33.87 ? 265 GLY A N 1 ATOM 1374 C CA . GLY A 1 219 ? 11.964 -21.154 -27.237 1.00 32.62 ? 265 GLY A CA 1 ATOM 1375 C C . GLY A 1 219 ? 12.046 -20.922 -25.734 1.00 32.39 ? 265 GLY A C 1 ATOM 1376 O O . GLY A 1 219 ? 12.811 -21.595 -25.019 1.00 30.48 ? 265 GLY A O 1 ATOM 1377 N N . PRO A 1 220 ? 11.294 -19.932 -25.235 1.00 32.11 ? 266 PRO A N 1 ATOM 1378 C CA . PRO A 1 220 ? 11.215 -19.722 -23.777 1.00 32.82 ? 266 PRO A CA 1 ATOM 1379 C C . PRO A 1 220 ? 10.923 -20.985 -22.978 1.00 34.38 ? 266 PRO A C 1 ATOM 1380 O O . PRO A 1 220 ? 11.506 -21.181 -21.900 1.00 34.15 ? 266 PRO A O 1 ATOM 1381 C CB . PRO A 1 220 ? 10.078 -18.707 -23.637 1.00 31.72 ? 266 PRO A CB 1 ATOM 1382 C CG . PRO A 1 220 ? 10.018 -18.008 -24.956 1.00 31.83 ? 266 PRO A CG 1 ATOM 1383 C CD . PRO A 1 220 ? 10.538 -18.932 -26.003 1.00 31.29 ? 266 PRO A CD 1 ATOM 1384 N N . ALA A 1 221 ? 10.042 -21.856 -23.484 1.00 36.58 ? 267 ALA A N 1 ATOM 1385 C CA . ALA A 1 221 ? 9.612 -23.036 -22.742 1.00 38.14 ? 267 ALA A CA 1 ATOM 1386 C C . ALA A 1 221 ? 10.587 -24.200 -22.846 1.00 40.85 ? 267 ALA A C 1 ATOM 1387 O O . ALA A 1 221 ? 10.533 -25.106 -22.014 1.00 44.99 ? 267 ALA A O 1 ATOM 1388 C CB . ALA A 1 221 ? 8.240 -23.481 -23.231 1.00 37.64 ? 267 ALA A CB 1 ATOM 1389 N N . GLY A 1 222 ? 11.464 -24.205 -23.841 1.00 39.69 ? 268 GLY A N 1 ATOM 1390 C CA . GLY A 1 222 ? 12.409 -25.293 -23.993 1.00 37.61 ? 268 GLY A CA 1 ATOM 1391 C C . GLY A 1 222 ? 13.618 -25.125 -23.096 1.00 36.74 ? 268 GLY A C 1 ATOM 1392 O O . GLY A 1 222 ? 13.579 -24.336 -22.147 1.00 37.55 ? 268 GLY A O 1 ATOM 1393 N N . PRO A 1 223 ? 14.694 -25.882 -23.367 1.00 34.37 ? 269 PRO A N 1 ATOM 1394 C CA . PRO A 1 223 ? 14.831 -26.923 -24.395 1.00 33.08 ? 269 PRO A CA 1 ATOM 1395 C C . PRO A 1 223 ? 14.011 -28.171 -24.041 1.00 30.93 ? 269 PRO A C 1 ATOM 1396 O O . PRO A 1 223 ? 13.624 -28.320 -22.885 1.00 30.92 ? 269 PRO A O 1 ATOM 1397 C CB . PRO A 1 223 ? 16.321 -27.237 -24.373 1.00 33.33 ? 269 PRO A CB 1 ATOM 1398 C CG . PRO A 1 223 ? 16.706 -26.966 -22.952 1.00 33.76 ? 269 PRO A CG 1 ATOM 1399 C CD . PRO A 1 223 ? 15.898 -25.778 -22.528 1.00 33.65 ? 269 PRO A CD 1 ATOM 1400 N N . PHE A 1 224 ? 13.762 -29.057 -25.000 1.00 28.82 ? 270 PHE A N 1 ATOM 1401 C CA . PHE A 1 224 ? 12.984 -30.264 -24.761 1.00 27.48 ? 270 PHE A CA 1 ATOM 1402 C C . PHE A 1 224 ? 13.816 -31.504 -25.059 1.00 27.75 ? 270 PHE A C 1 ATOM 1403 O O . PHE A 1 224 ? 14.573 -31.539 -26.036 1.00 29.19 ? 270 PHE A O 1 ATOM 1404 C CB . PHE A 1 224 ? 11.715 -30.269 -25.613 1.00 27.77 ? 270 PHE A CB 1 ATOM 1405 C CG . PHE A 1 224 ? 10.907 -29.014 -25.478 1.00 28.87 ? 270 PHE A CG 1 ATOM 1406 C CD1 . PHE A 1 224 ? 10.152 -28.783 -24.337 1.00 28.07 ? 270 PHE A CD1 1 ATOM 1407 C CD2 . PHE A 1 224 ? 10.934 -28.043 -26.471 1.00 29.54 ? 270 PHE A CD2 1 ATOM 1408 C CE1 . PHE A 1 224 ? 9.415 -27.620 -24.201 1.00 28.28 ? 270 PHE A CE1 1 ATOM 1409 C CE2 . PHE A 1 224 ? 10.207 -26.876 -26.334 1.00 30.01 ? 270 PHE A CE2 1 ATOM 1410 C CZ . PHE A 1 224 ? 9.438 -26.665 -25.198 1.00 29.02 ? 270 PHE A CZ 1 ATOM 1411 N N . ASP A 1 225 ? 13.670 -32.525 -24.213 1.00 26.90 ? 271 ASP A N 1 ATOM 1412 C CA . ASP A 1 225 ? 14.341 -33.787 -24.495 1.00 28.73 ? 271 ASP A CA 1 ATOM 1413 C C . ASP A 1 225 ? 13.535 -34.636 -25.465 1.00 28.94 ? 271 ASP A C 1 ATOM 1414 O O . ASP A 1 225 ? 14.112 -35.299 -26.332 1.00 29.67 ? 271 ASP A O 1 ATOM 1415 C CB . ASP A 1 225 ? 14.605 -34.544 -23.200 1.00 30.36 ? 271 ASP A CB 1 ATOM 1416 C CG . ASP A 1 225 ? 15.530 -33.783 -22.283 1.00 32.83 ? 271 ASP A CG 1 ATOM 1417 O OD1 . ASP A 1 225 ? 16.732 -33.688 -22.608 1.00 35.25 ? 271 ASP A OD1 1 ATOM 1418 O OD2 . ASP A 1 225 ? 15.058 -33.256 -21.256 1.00 32.81 ? 271 ASP A OD2 1 ATOM 1419 N N . MET A 1 226 ? 12.208 -34.621 -25.334 1.00 28.29 ? 272 MET A N 1 ATOM 1420 C CA . MET A 1 226 ? 11.318 -35.292 -26.271 1.00 29.48 ? 272 MET A CA 1 ATOM 1421 C C . MET A 1 226 ? 10.017 -34.515 -26.355 1.00 27.62 ? 272 MET A C 1 ATOM 1422 O O . MET A 1 226 ? 9.734 -33.627 -25.545 1.00 26.56 ? 272 MET A O 1 ATOM 1423 C CB . MET A 1 226 ? 11.000 -36.739 -25.862 1.00 33.05 ? 272 MET A CB 1 ATOM 1424 C CG . MET A 1 226 ? 12.183 -37.684 -25.833 1.00 37.87 ? 272 MET A CG 1 ATOM 1425 S SD . MET A 1 226 ? 12.833 -37.860 -24.153 1.00 38.86 ? 272 MET A SD 1 ATOM 1426 C CE . MET A 1 226 ? 14.401 -38.672 -24.490 1.00 39.44 ? 272 MET A CE 1 ATOM 1427 N N . VAL A 1 227 ? 9.208 -34.897 -27.335 1.00 26.92 ? 273 VAL A N 1 ATOM 1428 C CA . VAL A 1 227 ? 7.863 -34.376 -27.504 1.00 26.27 ? 273 VAL A CA 1 ATOM 1429 C C . VAL A 1 227 ? 6.911 -35.559 -27.494 1.00 26.97 ? 273 VAL A C 1 ATOM 1430 O O . VAL A 1 227 ? 7.153 -36.556 -28.182 1.00 27.65 ? 273 VAL A O 1 ATOM 1431 C CB . VAL A 1 227 ? 7.737 -33.586 -28.816 1.00 27.20 ? 273 VAL A CB 1 ATOM 1432 C CG1 . VAL A 1 227 ? 6.324 -33.083 -28.994 1.00 23.19 ? 273 VAL A CG1 1 ATOM 1433 C CG2 . VAL A 1 227 ? 8.733 -32.457 -28.830 1.00 27.68 ? 273 VAL A CG2 1 ATOM 1434 N N . TYR A 1 228 ? 5.841 -35.465 -26.713 1.00 26.90 ? 274 TYR A N 1 ATOM 1435 C CA . TYR A 1 228 ? 4.745 -36.423 -26.811 1.00 26.31 ? 274 TYR A CA 1 ATOM 1436 C C . TYR A 1 228 ? 3.611 -35.746 -27.571 1.00 24.03 ? 274 TYR A C 1 ATOM 1437 O O . TYR A 1 228 ? 3.204 -34.636 -27.208 1.00 23.63 ? 274 TYR A O 1 ATOM 1438 C CB . TYR A 1 228 ? 4.277 -36.902 -25.433 1.00 25.97 ? 274 TYR A CB 1 ATOM 1439 C CG . TYR A 1 228 ? 5.348 -37.589 -24.597 1.00 25.53 ? 274 TYR A CG 1 ATOM 1440 C CD1 . TYR A 1 228 ? 6.568 -37.973 -25.149 1.00 26.81 ? 274 TYR A CD1 1 ATOM 1441 C CD2 . TYR A 1 228 ? 5.139 -37.840 -23.250 1.00 24.73 ? 274 TYR A CD2 1 ATOM 1442 C CE1 . TYR A 1 228 ? 7.543 -38.588 -24.375 1.00 26.77 ? 274 TYR A CE1 1 ATOM 1443 C CE2 . TYR A 1 228 ? 6.093 -38.457 -22.475 1.00 24.52 ? 274 TYR A CE2 1 ATOM 1444 C CZ . TYR A 1 228 ? 7.289 -38.828 -23.037 1.00 26.71 ? 274 TYR A CZ 1 ATOM 1445 O OH . TYR A 1 228 ? 8.229 -39.444 -22.248 1.00 28.48 ? 274 TYR A OH 1 ATOM 1446 N N . TRP A 1 229 ? 3.124 -36.399 -28.634 1.00 22.74 ? 275 TRP A N 1 ATOM 1447 C CA . TRP A 1 229 ? 2.151 -35.812 -29.563 1.00 22.94 ? 275 TRP A CA 1 ATOM 1448 C C . TRP A 1 229 ? 0.952 -36.760 -29.707 1.00 23.93 ? 275 TRP A C 1 ATOM 1449 O O . TRP A 1 229 ? 0.957 -37.668 -30.543 1.00 24.26 ? 275 TRP A O 1 ATOM 1450 C CB . TRP A 1 229 ? 2.845 -35.530 -30.887 1.00 23.91 ? 275 TRP A CB 1 ATOM 1451 C CG . TRP A 1 229 ? 1.998 -34.840 -31.911 1.00 25.69 ? 275 TRP A CG 1 ATOM 1452 C CD1 . TRP A 1 229 ? 0.881 -34.076 -31.691 1.00 24.73 ? 275 TRP A CD1 1 ATOM 1453 C CD2 . TRP A 1 229 ? 2.193 -34.866 -33.329 1.00 26.88 ? 275 TRP A CD2 1 ATOM 1454 N NE1 . TRP A 1 229 ? 0.378 -33.622 -32.890 1.00 25.34 ? 275 TRP A NE1 1 ATOM 1455 C CE2 . TRP A 1 229 ? 1.162 -34.097 -33.909 1.00 26.83 ? 275 TRP A CE2 1 ATOM 1456 C CE3 . TRP A 1 229 ? 3.135 -35.472 -34.166 1.00 27.87 ? 275 TRP A CE3 1 ATOM 1457 C CZ2 . TRP A 1 229 ? 1.049 -33.919 -35.286 1.00 28.12 ? 275 TRP A CZ2 1 ATOM 1458 C CZ3 . TRP A 1 229 ? 3.021 -35.289 -35.541 1.00 28.44 ? 275 TRP A CZ3 1 ATOM 1459 C CH2 . TRP A 1 229 ? 1.987 -34.516 -36.083 1.00 28.17 ? 275 TRP A CH2 1 ATOM 1460 N N . THR A 1 230 ? -0.090 -36.556 -28.904 1.00 23.59 ? 276 THR A N 1 ATOM 1461 C CA . THR A 1 230 ? -1.099 -37.605 -28.715 1.00 24.53 ? 276 THR A CA 1 ATOM 1462 C C . THR A 1 230 ? -2.382 -37.395 -29.534 1.00 26.25 ? 276 THR A C 1 ATOM 1463 O O . THR A 1 230 ? -3.480 -37.648 -29.036 1.00 25.82 ? 276 THR A O 1 ATOM 1464 C CB . THR A 1 230 ? -1.426 -37.771 -27.227 1.00 23.34 ? 276 THR A CB 1 ATOM 1465 O OG1 . THR A 1 230 ? -1.897 -36.532 -26.669 1.00 23.00 ? 276 THR A OG1 1 ATOM 1466 C CG2 . THR A 1 230 ? -0.198 -38.263 -26.451 1.00 21.97 ? 276 THR A CG2 1 ATOM 1467 N N . GLY A 1 231 ? -2.297 -36.987 -30.798 1.00 27.96 ? 277 GLY A N 1 ATOM 1468 C CA . GLY A 1 231 ? -3.344 -37.306 -31.752 1.00 29.17 ? 277 GLY A CA 1 ATOM 1469 C C . GLY A 1 231 ? -4.288 -36.152 -32.059 1.00 30.08 ? 277 GLY A C 1 ATOM 1470 O O . GLY A 1 231 ? -4.270 -35.090 -31.428 1.00 28.53 ? 277 GLY A O 1 ATOM 1471 N N . ASP A 1 232 ? -5.145 -36.412 -33.057 1.00 32.29 ? 278 ASP A N 1 ATOM 1472 C CA . ASP A 1 232 ? -6.159 -35.493 -33.569 1.00 33.05 ? 278 ASP A CA 1 ATOM 1473 C C . ASP A 1 232 ? -5.510 -34.401 -34.404 1.00 31.36 ? 278 ASP A C 1 ATOM 1474 O O . ASP A 1 232 ? -5.349 -33.258 -33.955 1.00 30.16 ? 278 ASP A O 1 ATOM 1475 C CB . ASP A 1 232 ? -7.003 -34.904 -32.438 1.00 35.31 ? 278 ASP A CB 1 ATOM 1476 C CG . ASP A 1 232 ? -8.237 -35.729 -32.155 1.00 37.50 ? 278 ASP A CG 1 ATOM 1477 O OD1 . ASP A 1 232 ? -8.335 -36.867 -32.668 1.00 38.03 ? 278 ASP A OD1 1 ATOM 1478 O OD2 . ASP A 1 232 ? -9.110 -35.234 -31.425 1.00 39.63 ? 278 ASP A OD2 1 ATOM 1479 N N . ILE A 1 233 ? -5.127 -34.766 -35.623 1.00 30.81 ? 279 ILE A N 1 ATOM 1480 C CA . ILE A 1 233 ? -4.482 -33.848 -36.553 1.00 30.16 ? 279 ILE A CA 1 ATOM 1481 C C . ILE A 1 233 ? -5.532 -33.226 -37.465 1.00 30.58 ? 279 ILE A C 1 ATOM 1482 O O . ILE A 1 233 ? -5.571 -31.990 -37.563 1.00 30.88 ? 279 ILE A O 1 ATOM 1483 C CB . ILE A 1 233 ? -3.373 -34.547 -37.347 1.00 29.93 ? 279 ILE A CB 1 ATOM 1484 C CG1 . ILE A 1 233 ? -2.451 -35.288 -36.380 1.00 30.50 ? 279 ILE A CG1 1 ATOM 1485 C CG2 . ILE A 1 233 ? -2.595 -33.535 -38.176 1.00 29.11 ? 279 ILE A CG2 1 ATOM 1486 C CD1 . ILE A 1 233 ? -1.520 -36.241 -37.066 1.00 32.00 ? 279 ILE A CD1 1 ATOM 1487 N N . PRO A 1 234 ? -6.404 -33.993 -38.133 1.00 30.63 ? 280 PRO A N 1 ATOM 1488 C CA . PRO A 1 234 ? -7.445 -33.359 -38.959 1.00 30.41 ? 280 PRO A CA 1 ATOM 1489 C C . PRO A 1 234 ? -8.421 -32.562 -38.101 1.00 28.37 ? 280 PRO A C 1 ATOM 1490 O O . PRO A 1 234 ? -8.469 -32.683 -36.874 1.00 26.05 ? 280 PRO A O 1 ATOM 1491 C CB . PRO A 1 234 ? -8.139 -34.541 -39.651 1.00 30.27 ? 280 PRO A CB 1 ATOM 1492 C CG . PRO A 1 234 ? -7.136 -35.654 -39.602 1.00 30.29 ? 280 PRO A CG 1 ATOM 1493 C CD . PRO A 1 234 ? -6.452 -35.464 -38.273 1.00 30.03 ? 280 PRO A CD 1 ATOM 1494 N N . ALA A 1 235 ? -9.196 -31.714 -38.779 1.00 28.37 ? 281 ALA A N 1 ATOM 1495 C CA . ALA A 1 235 ? -10.167 -30.838 -38.139 1.00 27.44 ? 281 ALA A CA 1 ATOM 1496 C C . ALA A 1 235 ? -11.505 -31.568 -37.975 1.00 27.87 ? 281 ALA A C 1 ATOM 1497 O O . ALA A 1 235 ? -11.620 -32.776 -38.211 1.00 28.45 ? 281 ALA A O 1 ATOM 1498 C CB . ALA A 1 235 ? -10.306 -29.546 -38.942 1.00 28.18 ? 281 ALA A CB 1 ATOM 1499 N N . HIS A 1 236 ? -12.544 -30.843 -37.565 1.00 27.45 ? 282 HIS A N 1 ATOM 1500 C CA . HIS A 1 236 ? -13.843 -31.455 -37.328 1.00 28.52 ? 282 HIS A CA 1 ATOM 1501 C C . HIS A 1 236 ? -14.782 -31.318 -38.523 1.00 31.79 ? 282 HIS A C 1 ATOM 1502 O O . HIS A 1 236 ? -15.999 -31.480 -38.368 1.00 32.72 ? 282 HIS A O 1 ATOM 1503 C CB . HIS A 1 236 ? -14.479 -30.871 -36.067 1.00 27.07 ? 282 HIS A CB 1 ATOM 1504 C CG . HIS A 1 236 ? -13.673 -31.114 -34.831 1.00 26.16 ? 282 HIS A CG 1 ATOM 1505 N ND1 . HIS A 1 236 ? -12.533 -30.397 -34.533 1.00 25.11 ? 282 HIS A ND1 1 ATOM 1506 C CD2 . HIS A 1 236 ? -13.825 -32.016 -33.831 1.00 24.63 ? 282 HIS A CD2 1 ATOM 1507 C CE1 . HIS A 1 236 ? -12.023 -30.840 -33.396 1.00 22.67 ? 282 HIS A CE1 1 ATOM 1508 N NE2 . HIS A 1 236 ? -12.786 -31.823 -32.951 1.00 24.09 ? 282 HIS A NE2 1 ATOM 1509 N N . ASP A 1 237 ? -14.240 -31.041 -39.714 1.00 32.16 ? 283 ASP A N 1 ATOM 1510 C CA . ASP A 1 237 ? -15.026 -31.022 -40.944 1.00 34.16 ? 283 ASP A CA 1 ATOM 1511 C C . ASP A 1 237 ? -15.362 -32.456 -41.333 1.00 32.80 ? 283 ASP A C 1 ATOM 1512 O O . ASP A 1 237 ? -15.023 -32.936 -42.423 1.00 31.33 ? 283 ASP A O 1 ATOM 1513 C CB . ASP A 1 237 ? -14.270 -30.301 -42.064 1.00 36.90 ? 283 ASP A CB 1 ATOM 1514 C CG . ASP A 1 237 ? -12.936 -30.948 -42.380 1.00 38.55 ? 283 ASP A CG 1 ATOM 1515 O OD1 . ASP A 1 237 ? -12.250 -31.424 -41.435 1.00 37.93 ? 283 ASP A OD1 1 ATOM 1516 O OD2 . ASP A 1 237 ? -12.588 -30.991 -43.582 1.00 40.65 ? 283 ASP A OD2 1 ATOM 1517 N N . VAL A 1 238 ? -16.063 -33.132 -40.429 1.00 32.00 ? 284 VAL A N 1 ATOM 1518 C CA . VAL A 1 238 ? -16.126 -34.584 -40.431 1.00 33.98 ? 284 VAL A CA 1 ATOM 1519 C C . VAL A 1 238 ? -17.086 -35.148 -41.465 1.00 37.73 ? 284 VAL A C 1 ATOM 1520 O O . VAL A 1 238 ? -17.081 -36.362 -41.705 1.00 39.06 ? 284 VAL A O 1 ATOM 1521 C CB . VAL A 1 238 ? -16.467 -34.977 -38.982 1.00 33.83 ? 284 VAL A CB 1 ATOM 1522 C CG1 . VAL A 1 238 ? -17.970 -34.940 -38.708 1.00 31.91 ? 284 VAL A CG1 1 ATOM 1523 C CG2 . VAL A 1 238 ? -15.895 -36.273 -38.689 1.00 35.36 ? 284 VAL A CG2 1 ATOM 1524 N N . TRP A 1 239 ? -17.896 -34.303 -42.104 1.00 39.22 ? 285 TRP A N 1 ATOM 1525 C CA . TRP A 1 239 ? -18.861 -34.774 -43.085 1.00 40.41 ? 285 TRP A CA 1 ATOM 1526 C C . TRP A 1 239 ? -18.268 -34.921 -44.476 1.00 43.80 ? 285 TRP A C 1 ATOM 1527 O O . TRP A 1 239 ? -18.943 -35.454 -45.361 1.00 42.94 ? 285 TRP A O 1 ATOM 1528 C CB . TRP A 1 239 ? -20.065 -33.830 -43.132 1.00 38.55 ? 285 TRP A CB 1 ATOM 1529 C CG . TRP A 1 239 ? -19.696 -32.414 -43.437 1.00 38.17 ? 285 TRP A CG 1 ATOM 1530 C CD1 . TRP A 1 239 ? -19.702 -31.816 -44.664 1.00 38.95 ? 285 TRP A CD1 1 ATOM 1531 C CD2 . TRP A 1 239 ? -19.262 -31.411 -42.503 1.00 37.25 ? 285 TRP A CD2 1 ATOM 1532 N NE1 . TRP A 1 239 ? -19.298 -30.506 -44.555 1.00 39.23 ? 285 TRP A NE1 1 ATOM 1533 C CE2 . TRP A 1 239 ? -19.026 -30.229 -43.241 1.00 38.07 ? 285 TRP A CE2 1 ATOM 1534 C CE3 . TRP A 1 239 ? -19.056 -31.395 -41.115 1.00 36.17 ? 285 TRP A CE3 1 ATOM 1535 C CZ2 . TRP A 1 239 ? -18.585 -29.042 -42.643 1.00 38.05 ? 285 TRP A CZ2 1 ATOM 1536 C CZ3 . TRP A 1 239 ? -18.617 -30.216 -40.520 1.00 36.44 ? 285 TRP A CZ3 1 ATOM 1537 C CH2 . TRP A 1 239 ? -18.380 -29.054 -41.288 1.00 36.90 ? 285 TRP A CH2 1 ATOM 1538 N N . HIS A 1 240 ? -17.034 -34.473 -44.698 1.00 48.46 ? 286 HIS A N 1 ATOM 1539 C CA . HIS A 1 240 ? -16.423 -34.608 -46.014 1.00 53.28 ? 286 HIS A CA 1 ATOM 1540 C C . HIS A 1 240 ? -14.906 -34.725 -45.831 1.00 52.77 ? 286 HIS A C 1 ATOM 1541 O O . HIS A 1 240 ? -14.110 -33.843 -46.122 1.00 55.97 ? 286 HIS A O 1 ATOM 1542 C CB . HIS A 1 240 ? -16.813 -33.452 -46.944 1.00 58.99 ? 286 HIS A CB 1 ATOM 1543 C CG . HIS A 1 240 ? -16.268 -32.112 -46.540 1.00 65.75 ? 286 HIS A CG 1 ATOM 1544 N ND1 . HIS A 1 240 ? -16.225 -31.040 -47.406 1.00 69.86 ? 286 HIS A ND1 1 ATOM 1545 C CD2 . HIS A 1 240 ? -15.727 -31.674 -45.376 1.00 68.17 ? 286 HIS A CD2 1 ATOM 1546 C CE1 . HIS A 1 240 ? -15.687 -29.999 -46.792 1.00 71.48 ? 286 HIS A CE1 1 ATOM 1547 N NE2 . HIS A 1 240 ? -15.370 -30.359 -45.560 1.00 69.73 ? 286 HIS A NE2 1 ATOM 1548 N N . GLN A 1 241 ? -14.452 -35.864 -45.331 1.00 50.05 ? 287 GLN A N 1 ATOM 1549 C CA . GLN A 1 241 ? -13.022 -36.114 -45.200 1.00 43.90 ? 287 GLN A CA 1 ATOM 1550 C C . GLN A 1 241 ? -12.655 -37.329 -46.039 1.00 41.57 ? 287 GLN A C 1 ATOM 1551 O O . GLN A 1 241 ? -13.122 -38.438 -45.771 1.00 40.62 ? 287 GLN A O 1 ATOM 1552 C CB . GLN A 1 241 ? -12.628 -36.297 -43.737 1.00 40.74 ? 287 GLN A CB 1 ATOM 1553 C CG . GLN A 1 241 ? -12.657 -35.000 -42.951 1.00 39.67 ? 287 GLN A CG 1 ATOM 1554 C CD . GLN A 1 241 ? -12.453 -35.217 -41.472 1.00 37.85 ? 287 GLN A CD 1 ATOM 1555 O OE1 . GLN A 1 241 ? -12.032 -34.307 -40.741 1.00 37.17 ? 287 GLN A OE1 1 ATOM 1556 N NE2 . GLN A 1 241 ? -12.760 -36.425 -41.011 1.00 36.56 ? 287 GLN A NE2 1 ATOM 1557 N N . THR A 1 242 ? -11.829 -37.112 -47.057 1.00 41.08 ? 288 THR A N 1 ATOM 1558 C CA . THR A 1 242 ? -11.257 -38.180 -47.861 1.00 40.92 ? 288 THR A CA 1 ATOM 1559 C C . THR A 1 242 ? -9.971 -38.700 -47.223 1.00 38.51 ? 288 THR A C 1 ATOM 1560 O O . THR A 1 242 ? -9.373 -38.059 -46.352 1.00 37.16 ? 288 THR A O 1 ATOM 1561 C CB . THR A 1 242 ? -10.953 -37.695 -49.280 1.00 43.65 ? 288 THR A CB 1 ATOM 1562 O OG1 . THR A 1 242 ? -9.902 -36.719 -49.227 1.00 44.74 ? 288 THR A OG1 1 ATOM 1563 C CG2 . THR A 1 242 ? -12.185 -37.081 -49.938 1.00 33.49 ? 288 THR A CG2 1 ATOM 1564 N N . ARG A 1 243 ? -9.542 -39.881 -47.674 1.00 37.50 ? 289 ARG A N 1 ATOM 1565 C CA . ARG A 1 243 ? -8.264 -40.415 -47.215 1.00 37.04 ? 289 ARG A CA 1 ATOM 1566 C C . ARG A 1 243 ? -7.114 -39.492 -47.583 1.00 40.23 ? 289 ARG A C 1 ATOM 1567 O O . ARG A 1 243 ? -6.111 -39.428 -46.857 1.00 41.50 ? 289 ARG A O 1 ATOM 1568 C CB . ARG A 1 243 ? -8.025 -41.809 -47.790 1.00 35.64 ? 289 ARG A CB 1 ATOM 1569 C CG . ARG A 1 243 ? -8.929 -42.851 -47.188 1.00 34.82 ? 289 ARG A CG 1 ATOM 1570 C CD . ARG A 1 243 ? -8.710 -44.217 -47.764 1.00 36.22 ? 289 ARG A CD 1 ATOM 1571 N NE . ARG A 1 243 ? -9.551 -45.185 -47.072 1.00 37.88 ? 289 ARG A NE 1 ATOM 1572 C CZ . ARG A 1 243 ? -9.453 -46.505 -47.204 1.00 38.99 ? 289 ARG A CZ 1 ATOM 1573 N NH1 . ARG A 1 243 ? -8.544 -47.028 -48.018 1.00 39.66 ? 289 ARG A NH1 1 ATOM 1574 N NH2 . ARG A 1 243 ? -10.262 -47.302 -46.515 1.00 38.53 ? 289 ARG A NH2 1 ATOM 1575 N N . GLN A 1 244 ? -7.244 -38.756 -48.688 1.00 41.11 ? 290 GLN A N 1 ATOM 1576 C CA . GLN A 1 244 ? -6.177 -37.843 -49.067 1.00 43.48 ? 290 GLN A CA 1 ATOM 1577 C C . GLN A 1 244 ? -6.140 -36.618 -48.156 1.00 42.39 ? 290 GLN A C 1 ATOM 1578 O O . GLN A 1 244 ? -5.054 -36.151 -47.784 1.00 43.73 ? 290 GLN A O 1 ATOM 1579 C CB . GLN A 1 244 ? -6.330 -37.441 -50.526 1.00 48.53 ? 290 GLN A CB 1 ATOM 1580 C CG . GLN A 1 244 ? -5.195 -36.574 -50.987 1.00 54.26 ? 290 GLN A CG 1 ATOM 1581 C CD . GLN A 1 244 ? -5.173 -36.396 -52.477 1.00 59.32 ? 290 GLN A CD 1 ATOM 1582 O OE1 . GLN A 1 244 ? -4.104 -36.390 -53.095 1.00 60.71 ? 290 GLN A OE1 1 ATOM 1583 N NE2 . GLN A 1 244 ? -6.362 -36.251 -53.069 1.00 61.08 ? 290 GLN A NE2 1 ATOM 1584 N N . ASP A 1 245 ? -7.311 -36.086 -47.785 1.00 40.17 ? 291 ASP A N 1 ATOM 1585 C CA . ASP A 1 245 ? -7.368 -34.990 -46.817 1.00 38.57 ? 291 ASP A CA 1 ATOM 1586 C C . ASP A 1 245 ? -6.686 -35.375 -45.509 1.00 36.69 ? 291 ASP A C 1 ATOM 1587 O O . ASP A 1 245 ? -5.923 -34.587 -44.936 1.00 36.51 ? 291 ASP A O 1 ATOM 1588 C CB . ASP A 1 245 ? -8.816 -34.599 -46.522 1.00 39.32 ? 291 ASP A CB 1 ATOM 1589 C CG . ASP A 1 245 ? -9.542 -34.019 -47.716 1.00 40.90 ? 291 ASP A CG 1 ATOM 1590 O OD1 . ASP A 1 245 ? -8.883 -33.434 -48.599 1.00 41.02 ? 291 ASP A OD1 1 ATOM 1591 O OD2 . ASP A 1 245 ? -10.797 -34.138 -47.745 1.00 41.42 ? 291 ASP A OD2 1 ATOM 1592 N N . GLN A 1 246 ? -6.996 -36.571 -44.993 1.00 35.21 ? 292 GLN A N 1 ATOM 1593 C CA . GLN A 1 246 ? -6.428 -36.983 -43.713 1.00 33.73 ? 292 GLN A CA 1 ATOM 1594 C C . GLN A 1 246 ? -4.929 -37.185 -43.838 1.00 34.10 ? 292 GLN A C 1 ATOM 1595 O O . GLN A 1 246 ? -4.164 -36.770 -42.958 1.00 32.58 ? 292 GLN A O 1 ATOM 1596 C CB . GLN A 1 246 ? -7.104 -38.259 -43.190 1.00 32.00 ? 292 GLN A CB 1 ATOM 1597 C CG . GLN A 1 246 ? -8.635 -38.229 -43.197 1.00 30.82 ? 292 GLN A CG 1 ATOM 1598 C CD . GLN A 1 246 ? -9.205 -37.059 -42.420 1.00 29.13 ? 292 GLN A CD 1 ATOM 1599 O OE1 . GLN A 1 246 ? -9.176 -35.920 -42.889 1.00 29.07 ? 292 GLN A OE1 1 ATOM 1600 N NE2 . GLN A 1 246 ? -9.752 -37.342 -41.241 1.00 26.58 ? 292 GLN A NE2 1 ATOM 1601 N N . LEU A 1 247 ? -4.489 -37.808 -44.932 1.00 35.70 ? 293 LEU A N 1 ATOM 1602 C CA . LEU A 1 247 ? -3.056 -37.945 -45.136 1.00 36.37 ? 293 LEU A CA 1 ATOM 1603 C C . LEU A 1 247 ? -2.405 -36.577 -45.255 1.00 38.28 ? 293 LEU A C 1 ATOM 1604 O O . LEU A 1 247 ? -1.346 -36.334 -44.655 1.00 38.42 ? 293 LEU A O 1 ATOM 1605 C CB . LEU A 1 247 ? -2.778 -38.807 -46.361 1.00 36.28 ? 293 LEU A CB 1 ATOM 1606 C CG . LEU A 1 247 ? -3.165 -40.270 -46.154 1.00 35.29 ? 293 LEU A CG 1 ATOM 1607 C CD1 . LEU A 1 247 ? -2.612 -41.124 -47.275 1.00 33.30 ? 293 LEU A CD1 1 ATOM 1608 C CD2 . LEU A 1 247 ? -2.690 -40.763 -44.801 1.00 31.02 ? 293 LEU A CD2 1 ATOM 1609 N N . ARG A 1 248 ? -3.054 -35.654 -45.976 1.00 38.82 ? 294 ARG A N 1 ATOM 1610 C CA . ARG A 1 248 ? -2.521 -34.302 -46.085 1.00 40.63 ? 294 ARG A CA 1 ATOM 1611 C C . ARG A 1 248 ? -2.396 -33.651 -44.711 1.00 39.99 ? 294 ARG A C 1 ATOM 1612 O O . ARG A 1 248 ? -1.394 -32.983 -44.420 1.00 41.21 ? 294 ARG A O 1 ATOM 1613 C CB . ARG A 1 248 ? -3.397 -33.454 -47.007 1.00 41.76 ? 294 ARG A CB 1 ATOM 1614 C CG . ARG A 1 248 ? -2.962 -31.991 -47.073 1.00 42.77 ? 294 ARG A CG 1 ATOM 1615 C CD . ARG A 1 248 ? -3.983 -31.129 -47.776 1.00 44.93 ? 294 ARG A CD 1 ATOM 1616 N NE . ARG A 1 248 ? -5.264 -31.154 -47.080 1.00 46.94 ? 294 ARG A NE 1 ATOM 1617 C CZ . ARG A 1 248 ? -6.399 -30.686 -47.585 1.00 49.98 ? 294 ARG A CZ 1 ATOM 1618 N NH1 . ARG A 1 248 ? -6.414 -30.149 -48.800 1.00 53.49 ? 294 ARG A NH1 1 ATOM 1619 N NH2 . ARG A 1 248 ? -7.516 -30.757 -46.870 1.00 49.00 ? 294 ARG A NH2 1 ATOM 1620 N N . ALA A 1 249 ? -3.394 -33.845 -43.845 1.00 37.20 ? 295 ALA A N 1 ATOM 1621 C CA . ALA A 1 249 ? -3.278 -33.364 -42.469 1.00 34.80 ? 295 ALA A CA 1 ATOM 1622 C C . ALA A 1 249 ? -2.094 -34.017 -41.765 1.00 33.68 ? 295 ALA A C 1 ATOM 1623 O O . ALA A 1 249 ? -1.244 -33.330 -41.175 1.00 32.22 ? 295 ALA A O 1 ATOM 1624 C CB . ALA A 1 249 ? -4.576 -33.632 -41.704 1.00 33.10 ? 295 ALA A CB 1 ATOM 1625 N N . LEU A 1 250 ? -2.010 -35.351 -41.847 1.00 33.42 ? 296 LEU A N 1 ATOM 1626 C CA . LEU A 1 250 ? -0.895 -36.080 -41.251 1.00 33.14 ? 296 LEU A CA 1 ATOM 1627 C C . LEU A 1 250 ? 0.456 -35.563 -41.753 1.00 34.55 ? 296 LEU A C 1 ATOM 1628 O O . LEU A 1 250 ? 1.343 -35.249 -40.951 1.00 34.70 ? 296 LEU A O 1 ATOM 1629 C CB . LEU A 1 250 ? -1.038 -37.578 -41.532 1.00 32.29 ? 296 LEU A CB 1 ATOM 1630 C CG . LEU A 1 250 ? 0.208 -38.414 -41.231 1.00 31.95 ? 296 LEU A CG 1 ATOM 1631 C CD1 . LEU A 1 250 ? 0.493 -38.448 -39.732 1.00 31.18 ? 296 LEU A CD1 1 ATOM 1632 C CD2 . LEU A 1 250 ? 0.081 -39.825 -41.801 1.00 31.68 ? 296 LEU A CD2 1 ATOM 1633 N N . THR A 1 251 ? 0.635 -35.453 -43.073 1.00 35.91 ? 297 THR A N 1 ATOM 1634 C CA . THR A 1 251 ? 1.971 -35.139 -43.586 1.00 36.57 ? 297 THR A CA 1 ATOM 1635 C C . THR A 1 251 ? 2.334 -33.669 -43.398 1.00 37.63 ? 297 THR A C 1 ATOM 1636 O O . THR A 1 251 ? 3.504 -33.341 -43.168 1.00 38.05 ? 297 THR A O 1 ATOM 1637 C CB . THR A 1 251 ? 2.091 -35.516 -45.063 1.00 37.37 ? 297 THR A CB 1 ATOM 1638 O OG1 . THR A 1 251 ? 1.098 -34.817 -45.821 1.00 40.00 ? 297 THR A OG1 1 ATOM 1639 C CG2 . THR A 1 251 ? 1.911 -37.007 -45.243 1.00 35.75 ? 297 THR A CG2 1 ATOM 1640 N N . THR A 1 252 ? 1.354 -32.769 -43.496 1.00 37.93 ? 298 THR A N 1 ATOM 1641 C CA . THR A 1 252 ? 1.652 -31.345 -43.362 1.00 37.54 ? 298 THR A CA 1 ATOM 1642 C C . THR A 1 252 ? 2.049 -31.001 -41.931 1.00 35.77 ? 298 THR A C 1 ATOM 1643 O O . THR A 1 252 ? 3.098 -30.390 -41.693 1.00 36.42 ? 298 THR A O 1 ATOM 1644 C CB . THR A 1 252 ? 0.444 -30.514 -43.793 1.00 36.44 ? 298 THR A CB 1 ATOM 1645 O OG1 . THR A 1 252 ? 0.114 -30.849 -45.141 1.00 37.78 ? 298 THR A OG1 1 ATOM 1646 C CG2 . THR A 1 252 ? 0.756 -29.025 -43.711 1.00 36.63 ? 298 THR A CG2 1 ATOM 1647 N N . VAL A 1 253 ? 1.220 -31.385 -40.963 1.00 33.95 ? 299 VAL A N 1 ATOM 1648 C CA . VAL A 1 253 ? 1.518 -31.038 -39.582 1.00 32.08 ? 299 VAL A CA 1 ATOM 1649 C C . VAL A 1 253 ? 2.780 -31.767 -39.116 1.00 32.90 ? 299 VAL A C 1 ATOM 1650 O O . VAL A 1 253 ? 3.644 -31.166 -38.470 1.00 33.37 ? 299 VAL A O 1 ATOM 1651 C CB . VAL A 1 253 ? 0.291 -31.312 -38.688 1.00 28.93 ? 299 VAL A CB 1 ATOM 1652 C CG1 . VAL A 1 253 ? 0.640 -31.148 -37.215 1.00 26.57 ? 299 VAL A CG1 1 ATOM 1653 C CG2 . VAL A 1 253 ? -0.855 -30.381 -39.070 1.00 28.16 ? 299 VAL A CG2 1 ATOM 1654 N N . THR A 1 254 ? 2.942 -33.045 -39.493 1.00 32.99 ? 300 THR A N 1 ATOM 1655 C CA . THR A 1 254 ? 4.143 -33.796 -39.113 1.00 32.47 ? 300 THR A CA 1 ATOM 1656 C C . THR A 1 254 ? 5.415 -33.070 -39.542 1.00 33.30 ? 300 THR A C 1 ATOM 1657 O O . THR A 1 254 ? 6.379 -32.968 -38.776 1.00 33.90 ? 300 THR A O 1 ATOM 1658 C CB . THR A 1 254 ? 4.111 -35.203 -39.727 1.00 31.73 ? 300 THR A CB 1 ATOM 1659 O OG1 . THR A 1 254 ? 3.075 -35.978 -39.109 1.00 31.14 ? 300 THR A OG1 1 ATOM 1660 C CG2 . THR A 1 254 ? 5.460 -35.913 -39.552 1.00 31.24 ? 300 THR A CG2 1 ATOM 1661 N N . ALA A 1 255 ? 5.429 -32.563 -40.775 1.00 33.87 ? 301 ALA A N 1 ATOM 1662 C CA . ALA A 1 255 ? 6.586 -31.841 -41.283 1.00 35.32 ? 301 ALA A CA 1 ATOM 1663 C C . ALA A 1 255 ? 6.767 -30.516 -40.567 1.00 35.98 ? 301 ALA A C 1 ATOM 1664 O O . ALA A 1 255 ? 7.896 -30.035 -40.426 1.00 36.94 ? 301 ALA A O 1 ATOM 1665 C CB . ALA A 1 255 ? 6.430 -31.606 -42.785 1.00 33.70 ? 301 ALA A CB 1 ATOM 1666 N N . LEU A 1 256 ? 5.667 -29.909 -40.122 1.00 35.65 ? 302 LEU A N 1 ATOM 1667 C CA . LEU A 1 256 ? 5.753 -28.619 -39.449 1.00 35.62 ? 302 LEU A CA 1 ATOM 1668 C C . LEU A 1 256 ? 6.437 -28.751 -38.094 1.00 35.03 ? 302 LEU A C 1 ATOM 1669 O O . LEU A 1 256 ? 7.324 -27.957 -37.761 1.00 35.57 ? 302 LEU A O 1 ATOM 1670 C CB . LEU A 1 256 ? 4.357 -28.017 -39.294 1.00 34.85 ? 302 LEU A CB 1 ATOM 1671 C CG . LEU A 1 256 ? 4.316 -26.518 -38.991 1.00 34.91 ? 302 LEU A CG 1 ATOM 1672 C CD1 . LEU A 1 256 ? 4.938 -25.722 -40.141 1.00 35.84 ? 302 LEU A CD1 1 ATOM 1673 C CD2 . LEU A 1 256 ? 2.872 -26.075 -38.719 1.00 34.42 ? 302 LEU A CD2 1 ATOM 1674 N N . VAL A 1 257 ? 6.042 -29.749 -37.294 1.00 34.97 ? 303 VAL A N 1 ATOM 1675 C CA . VAL A 1 257 ? 6.684 -29.886 -35.991 1.00 36.69 ? 303 VAL A CA 1 ATOM 1676 C C . VAL A 1 257 ? 8.120 -30.351 -36.177 1.00 39.29 ? 303 VAL A C 1 ATOM 1677 O O . VAL A 1 257 ? 9.024 -29.916 -35.447 1.00 40.48 ? 303 VAL A O 1 ATOM 1678 C CB . VAL A 1 257 ? 5.891 -30.815 -35.037 1.00 34.98 ? 303 VAL A CB 1 ATOM 1679 C CG1 . VAL A 1 257 ? 4.419 -30.924 -35.438 1.00 32.91 ? 303 VAL A CG1 1 ATOM 1680 C CG2 . VAL A 1 257 ? 6.549 -32.190 -34.881 1.00 35.07 ? 303 VAL A CG2 1 ATOM 1681 N N . ARG A 1 258 ? 8.369 -31.186 -37.188 1.00 39.83 ? 304 ARG A N 1 ATOM 1682 C CA . ARG A 1 258 ? 9.731 -31.620 -37.457 1.00 40.24 ? 304 ARG A CA 1 ATOM 1683 C C . ARG A 1 258 ? 10.622 -30.438 -37.831 1.00 39.44 ? 304 ARG A C 1 ATOM 1684 O O . ARG A 1 258 ? 11.809 -30.425 -37.481 1.00 39.53 ? 304 ARG A O 1 ATOM 1685 C CB . ARG A 1 258 ? 9.719 -32.692 -38.547 1.00 42.90 ? 304 ARG A CB 1 ATOM 1686 C CG . ARG A 1 258 ? 11.048 -33.341 -38.746 1.00 47.50 ? 304 ARG A CG 1 ATOM 1687 C CD . ARG A 1 258 ? 10.922 -34.782 -39.174 1.00 51.93 ? 304 ARG A CD 1 ATOM 1688 N NE . ARG A 1 258 ? 12.158 -35.190 -39.840 1.00 57.57 ? 304 ARG A NE 1 ATOM 1689 C CZ . ARG A 1 258 ? 12.297 -35.280 -41.162 1.00 61.96 ? 304 ARG A CZ 1 ATOM 1690 N NH1 . ARG A 1 258 ? 11.262 -35.019 -41.961 1.00 62.74 ? 304 ARG A NH1 1 ATOM 1691 N NH2 . ARG A 1 258 ? 13.466 -35.641 -41.689 1.00 64.09 ? 304 ARG A NH2 1 ATOM 1692 N N . LYS A 1 259 ? 10.056 -29.416 -38.482 1.00 38.74 ? 305 LYS A N 1 ATOM 1693 C CA . LYS A 1 259 ? 10.845 -28.252 -38.872 1.00 40.73 ? 305 LYS A CA 1 ATOM 1694 C C . LYS A 1 259 ? 11.237 -27.400 -37.668 1.00 41.74 ? 305 LYS A C 1 ATOM 1695 O O . LYS A 1 259 ? 12.342 -26.843 -37.639 1.00 43.65 ? 305 LYS A O 1 ATOM 1696 C CB . LYS A 1 259 ? 10.068 -27.409 -39.888 1.00 40.72 ? 305 LYS A CB 1 ATOM 1697 C CG . LYS A 1 259 ? 10.608 -25.995 -40.120 1.00 40.58 ? 305 LYS A CG 1 ATOM 1698 C CD . LYS A 1 259 ? 9.581 -25.138 -40.868 1.00 40.23 ? 305 LYS A CD 1 ATOM 1699 C CE . LYS A 1 259 ? 10.199 -23.954 -41.596 1.00 41.08 ? 305 LYS A CE 1 ATOM 1700 N NZ . LYS A 1 259 ? 11.089 -23.140 -40.736 1.00 41.01 ? 305 LYS A NZ 1 ATOM 1701 N N . PHE A 1 260 ? 10.362 -27.295 -36.665 1.00 39.44 ? 306 PHE A N 1 ATOM 1702 C CA . PHE A 1 260 ? 10.616 -26.422 -35.530 1.00 36.58 ? 306 PHE A CA 1 ATOM 1703 C C . PHE A 1 260 ? 11.266 -27.138 -34.353 1.00 36.16 ? 306 PHE A C 1 ATOM 1704 O O . PHE A 1 260 ? 11.796 -26.474 -33.458 1.00 36.94 ? 306 PHE A O 1 ATOM 1705 C CB . PHE A 1 260 ? 9.308 -25.741 -35.099 1.00 33.35 ? 306 PHE A CB 1 ATOM 1706 C CG . PHE A 1 260 ? 8.891 -24.645 -36.023 1.00 33.09 ? 306 PHE A CG 1 ATOM 1707 C CD1 . PHE A 1 260 ? 8.101 -24.914 -37.136 1.00 32.24 ? 306 PHE A CD1 1 ATOM 1708 C CD2 . PHE A 1 260 ? 9.357 -23.349 -35.827 1.00 33.27 ? 306 PHE A CD2 1 ATOM 1709 C CE1 . PHE A 1 260 ? 7.746 -23.902 -38.013 1.00 33.12 ? 306 PHE A CE1 1 ATOM 1710 C CE2 . PHE A 1 260 ? 9.010 -22.330 -36.705 1.00 33.99 ? 306 PHE A CE2 1 ATOM 1711 C CZ . PHE A 1 260 ? 8.205 -22.603 -37.802 1.00 33.86 ? 306 PHE A CZ 1 ATOM 1712 N N . LEU A 1 261 ? 11.262 -28.466 -34.338 1.00 35.40 ? 307 LEU A N 1 ATOM 1713 C CA . LEU A 1 261 ? 11.891 -29.221 -33.266 1.00 34.37 ? 307 LEU A CA 1 ATOM 1714 C C . LEU A 1 261 ? 13.119 -29.992 -33.705 1.00 35.25 ? 307 LEU A C 1 ATOM 1715 O O . LEU A 1 261 ? 13.807 -30.555 -32.847 1.00 35.50 ? 307 LEU A O 1 ATOM 1716 C CB . LEU A 1 261 ? 10.873 -30.176 -32.626 1.00 33.02 ? 307 LEU A CB 1 ATOM 1717 C CG . LEU A 1 261 ? 9.951 -29.265 -31.811 1.00 31.37 ? 307 LEU A CG 1 ATOM 1718 C CD1 . LEU A 1 261 ? 8.563 -29.155 -32.397 1.00 29.07 ? 307 LEU A CD1 1 ATOM 1719 C CD2 . LEU A 1 261 ? 9.950 -29.658 -30.352 1.00 29.66 ? 307 LEU A CD2 1 ATOM 1720 N N . GLY A 1 262 ? 13.405 -30.023 -35.008 1.00 35.65 ? 308 GLY A N 1 ATOM 1721 C CA . GLY A 1 262 ? 14.624 -30.567 -35.545 1.00 35.48 ? 308 GLY A CA 1 ATOM 1722 C C . GLY A 1 262 ? 14.986 -31.918 -34.984 1.00 34.56 ? 308 GLY A C 1 ATOM 1723 O O . GLY A 1 262 ? 14.259 -32.904 -35.119 1.00 34.16 ? 308 GLY A O 1 ATOM 1724 N N . PRO A 1 263 ? 16.134 -31.970 -34.310 1.00 35.18 ? 309 PRO A N 1 ATOM 1725 C CA . PRO A 1 263 ? 16.668 -33.256 -33.825 1.00 35.32 ? 309 PRO A CA 1 ATOM 1726 C C . PRO A 1 263 ? 15.882 -33.882 -32.659 1.00 33.74 ? 309 PRO A C 1 ATOM 1727 O O . PRO A 1 263 ? 16.116 -35.055 -32.352 1.00 32.87 ? 309 PRO A O 1 ATOM 1728 C CB . PRO A 1 263 ? 18.102 -32.896 -33.393 1.00 33.58 ? 309 PRO A CB 1 ATOM 1729 C CG . PRO A 1 263 ? 18.096 -31.402 -33.214 1.00 35.69 ? 309 PRO A CG 1 ATOM 1730 C CD . PRO A 1 263 ? 17.089 -30.860 -34.163 1.00 36.02 ? 309 PRO A CD 1 ATOM 1731 N N . VAL A 1 264 ? 14.964 -33.160 -32.026 1.00 33.03 ? 310 VAL A N 1 ATOM 1732 C CA . VAL A 1 264 ? 14.295 -33.648 -30.813 1.00 32.34 ? 310 VAL A CA 1 ATOM 1733 C C . VAL A 1 264 ? 13.311 -34.747 -31.192 1.00 33.48 ? 310 VAL A C 1 ATOM 1734 O O . VAL A 1 264 ? 12.453 -34.530 -32.071 1.00 33.43 ? 310 VAL A O 1 ATOM 1735 C CB . VAL A 1 264 ? 13.581 -32.502 -30.092 1.00 31.50 ? 310 VAL A CB 1 ATOM 1736 C CG1 . VAL A 1 264 ? 12.828 -33.014 -28.856 1.00 26.56 ? 310 VAL A CG1 1 ATOM 1737 C CG2 . VAL A 1 264 ? 14.557 -31.408 -29.725 1.00 28.40 ? 310 VAL A CG2 1 ATOM 1738 N N . PRO A 1 265 ? 13.360 -35.914 -30.540 1.00 33.12 ? 311 PRO A N 1 ATOM 1739 C CA . PRO A 1 265 ? 12.408 -36.984 -30.860 1.00 32.07 ? 311 PRO A CA 1 ATOM 1740 C C . PRO A 1 265 ? 10.982 -36.587 -30.518 1.00 32.63 ? 311 PRO A C 1 ATOM 1741 O O . PRO A 1 265 ? 10.720 -35.950 -29.496 1.00 31.59 ? 311 PRO A O 1 ATOM 1742 C CB . PRO A 1 265 ? 12.878 -38.157 -29.992 1.00 31.06 ? 311 PRO A CB 1 ATOM 1743 C CG . PRO A 1 265 ? 14.284 -37.828 -29.602 1.00 31.50 ? 311 PRO A CG 1 ATOM 1744 C CD . PRO A 1 265 ? 14.347 -36.329 -29.529 1.00 31.82 ? 311 PRO A CD 1 ATOM 1745 N N . VAL A 1 266 ? 10.058 -36.991 -31.389 1.00 32.99 ? 312 VAL A N 1 ATOM 1746 C CA . VAL A 1 266 ? 8.629 -36.779 -31.212 1.00 30.98 ? 312 VAL A CA 1 ATOM 1747 C C . VAL A 1 266 ? 7.955 -38.148 -31.202 1.00 30.50 ? 312 VAL A C 1 ATOM 1748 O O . VAL A 1 266 ? 8.093 -38.923 -32.158 1.00 31.48 ? 312 VAL A O 1 ATOM 1749 C CB . VAL A 1 266 ? 8.046 -35.891 -32.325 1.00 29.85 ? 312 VAL A CB 1 ATOM 1750 C CG1 . VAL A 1 266 ? 6.526 -35.747 -32.157 1.00 28.33 ? 312 VAL A CG1 1 ATOM 1751 C CG2 . VAL A 1 266 ? 8.751 -34.539 -32.362 1.00 28.21 ? 312 VAL A CG2 1 ATOM 1752 N N . TYR A 1 267 ? 7.229 -38.443 -30.133 1.00 28.74 ? 313 TYR A N 1 ATOM 1753 C CA . TYR A 1 267 ? 6.518 -39.710 -30.035 1.00 29.82 ? 313 TYR A CA 1 ATOM 1754 C C . TYR A 1 267 ? 5.028 -39.459 -30.200 1.00 29.77 ? 313 TYR A C 1 ATOM 1755 O O . TYR A 1 267 ? 4.385 -38.929 -29.277 1.00 29.99 ? 313 TYR A O 1 ATOM 1756 C CB . TYR A 1 267 ? 6.802 -40.399 -28.702 1.00 30.31 ? 313 TYR A CB 1 ATOM 1757 C CG . TYR A 1 267 ? 8.276 -40.531 -28.398 1.00 32.01 ? 313 TYR A CG 1 ATOM 1758 C CD1 . TYR A 1 267 ? 9.212 -40.745 -29.414 1.00 32.76 ? 313 TYR A CD1 1 ATOM 1759 C CD2 . TYR A 1 267 ? 8.736 -40.454 -27.090 1.00 32.25 ? 313 TYR A CD2 1 ATOM 1760 C CE1 . TYR A 1 267 ? 10.575 -40.864 -29.125 1.00 32.78 ? 313 TYR A CE1 1 ATOM 1761 C CE2 . TYR A 1 267 ? 10.089 -40.573 -26.795 1.00 32.38 ? 313 TYR A CE2 1 ATOM 1762 C CZ . TYR A 1 267 ? 10.999 -40.777 -27.807 1.00 32.88 ? 313 TYR A CZ 1 ATOM 1763 O OH . TYR A 1 267 ? 12.326 -40.892 -27.470 1.00 33.96 ? 313 TYR A OH 1 ATOM 1764 N N . PRO A 1 268 ? 4.448 -39.789 -31.350 1.00 28.71 ? 314 PRO A N 1 ATOM 1765 C CA . PRO A 1 268 ? 3.016 -39.587 -31.557 1.00 26.54 ? 314 PRO A CA 1 ATOM 1766 C C . PRO A 1 268 ? 2.182 -40.744 -31.033 1.00 26.03 ? 314 PRO A C 1 ATOM 1767 O O . PRO A 1 268 ? 2.668 -41.851 -30.783 1.00 25.67 ? 314 PRO A O 1 ATOM 1768 C CB . PRO A 1 268 ? 2.886 -39.484 -33.086 1.00 26.65 ? 314 PRO A CB 1 ATOM 1769 C CG . PRO A 1 268 ? 4.281 -39.667 -33.639 1.00 27.97 ? 314 PRO A CG 1 ATOM 1770 C CD . PRO A 1 268 ? 5.114 -40.261 -32.571 1.00 28.89 ? 314 PRO A CD 1 ATOM 1771 N N . ALA A 1 269 ? 0.901 -40.450 -30.864 1.00 25.72 ? 315 ALA A N 1 ATOM 1772 C CA . ALA A 1 269 ? -0.127 -41.441 -30.590 1.00 24.82 ? 315 ALA A CA 1 ATOM 1773 C C . ALA A 1 269 ? -1.319 -41.137 -31.494 1.00 24.40 ? 315 ALA A C 1 ATOM 1774 O O . ALA A 1 269 ? -1.523 -39.989 -31.907 1.00 22.98 ? 315 ALA A O 1 ATOM 1775 C CB . ALA A 1 269 ? -0.527 -41.438 -29.097 1.00 22.85 ? 315 ALA A CB 1 ATOM 1776 N N . VAL A 1 270 ? -2.089 -42.174 -31.818 1.00 24.39 ? 316 VAL A N 1 ATOM 1777 C CA . VAL A 1 270 ? -3.136 -42.076 -32.835 1.00 25.06 ? 316 VAL A CA 1 ATOM 1778 C C . VAL A 1 270 ? -4.418 -41.535 -32.208 1.00 25.51 ? 316 VAL A C 1 ATOM 1779 O O . VAL A 1 270 ? -4.997 -42.162 -31.310 1.00 24.99 ? 316 VAL A O 1 ATOM 1780 C CB . VAL A 1 270 ? -3.375 -43.441 -33.502 1.00 24.93 ? 316 VAL A CB 1 ATOM 1781 C CG1 . VAL A 1 270 ? -4.497 -43.372 -34.555 1.00 24.39 ? 316 VAL A CG1 1 ATOM 1782 C CG2 . VAL A 1 270 ? -2.072 -43.950 -34.113 1.00 25.22 ? 316 VAL A CG2 1 ATOM 1783 N N . GLY A 1 271 ? -4.870 -40.357 -32.686 1.00 25.55 ? 317 GLY A N 1 ATOM 1784 C CA . GLY A 1 271 ? -6.128 -39.803 -32.230 1.00 25.90 ? 317 GLY A CA 1 ATOM 1785 C C . GLY A 1 271 ? -7.313 -40.378 -32.987 1.00 28.99 ? 317 GLY A C 1 ATOM 1786 O O . GLY A 1 271 ? -7.172 -41.120 -33.958 1.00 31.32 ? 317 GLY A O 1 ATOM 1787 N N . ASN A 1 272 ? -8.514 -40.035 -32.533 1.00 29.20 ? 318 ASN A N 1 ATOM 1788 C CA . ASN A 1 272 ? -9.702 -40.579 -33.175 1.00 31.35 ? 318 ASN A CA 1 ATOM 1789 C C . ASN A 1 272 ? -10.043 -39.884 -34.493 1.00 32.29 ? 318 ASN A C 1 ATOM 1790 O O . ASN A 1 272 ? -10.840 -40.423 -35.272 1.00 33.07 ? 318 ASN A O 1 ATOM 1791 C CB . ASN A 1 272 ? -10.895 -40.509 -32.219 1.00 32.62 ? 318 ASN A CB 1 ATOM 1792 C CG . ASN A 1 272 ? -11.156 -39.109 -31.706 1.00 33.96 ? 318 ASN A CG 1 ATOM 1793 O OD1 . ASN A 1 272 ? -10.264 -38.452 -31.177 1.00 38.30 ? 318 ASN A OD1 1 ATOM 1794 N ND2 . ASN A 1 272 ? -12.386 -38.643 -31.867 1.00 32.28 ? 318 ASN A ND2 1 ATOM 1795 N N . HIS A 1 273 ? -9.469 -38.734 -34.768 1.00 30.14 ? 319 HIS A N 1 ATOM 1796 C CA . HIS A 1 273 ? -9.744 -38.031 -35.978 1.00 28.43 ? 319 HIS A CA 1 ATOM 1797 C C . HIS A 1 273 ? -8.805 -38.313 -37.108 1.00 27.31 ? 319 HIS A C 1 ATOM 1798 O O . HIS A 1 273 ? -8.969 -37.764 -38.119 1.00 26.98 ? 319 HIS A O 1 ATOM 1799 C CB . HIS A 1 273 ? -9.737 -36.545 -35.725 1.00 28.25 ? 319 HIS A CB 1 ATOM 1800 C CG . HIS A 1 273 ? -10.999 -36.030 -35.130 1.00 28.99 ? 319 HIS A CG 1 ATOM 1801 N ND1 . HIS A 1 273 ? -11.988 -35.458 -35.874 1.00 28.76 ? 319 HIS A ND1 1 ATOM 1802 C CD2 . HIS A 1 273 ? -11.409 -35.954 -33.851 1.00 29.06 ? 319 HIS A CD2 1 ATOM 1803 C CE1 . HIS A 1 273 ? -12.960 -35.068 -35.092 1.00 28.37 ? 319 HIS A CE1 1 ATOM 1804 N NE2 . HIS A 1 273 ? -12.636 -35.364 -33.860 1.00 28.94 ? 319 HIS A NE2 1 ATOM 1805 N N . GLU A 1 274 ? -7.824 -39.165 -36.926 1.00 27.38 ? 320 GLU A N 1 ATOM 1806 C CA . GLU A 1 274 ? -6.837 -39.419 -37.969 1.00 27.17 ? 320 GLU A CA 1 ATOM 1807 C C . GLU A 1 274 ? -7.424 -40.210 -39.126 1.00 28.29 ? 320 GLU A C 1 ATOM 1808 O O . GLU A 1 274 ? -6.975 -40.063 -40.267 1.00 29.38 ? 320 GLU A O 1 ATOM 1809 C CB . GLU A 1 274 ? -5.626 -40.151 -37.385 1.00 26.22 ? 320 GLU A CB 1 ATOM 1810 C CG . GLU A 1 274 ? -4.478 -39.224 -36.981 1.00 26.42 ? 320 GLU A CG 1 ATOM 1811 C CD . GLU A 1 274 ? -4.828 -38.318 -35.806 1.00 26.21 ? 320 GLU A CD 1 ATOM 1812 O OE1 . GLU A 1 274 ? -5.635 -37.380 -35.989 1.00 26.16 ? 320 GLU A OE1 1 ATOM 1813 O OE2 . GLU A 1 274 ? -4.306 -38.556 -34.691 1.00 25.82 ? 320 GLU A OE2 1 ATOM 1814 N N . SER A 1 275 ? -8.420 -41.044 -38.864 1.00 28.53 ? 321 SER A N 1 ATOM 1815 C CA . SER A 1 275 ? -8.944 -41.894 -39.911 1.00 29.68 ? 321 SER A CA 1 ATOM 1816 C C . SER A 1 275 ? -10.063 -41.175 -40.664 1.00 30.90 ? 321 SER A C 1 ATOM 1817 O O . SER A 1 275 ? -10.439 -40.039 -40.352 1.00 30.62 ? 321 SER A O 1 ATOM 1818 C CB . SER A 1 275 ? -9.438 -43.214 -39.325 1.00 28.68 ? 321 SER A CB 1 ATOM 1819 O OG . SER A 1 275 ? -9.873 -44.087 -40.353 1.00 29.27 ? 321 SER A OG 1 ATOM 1820 N N . THR A 1 276 ? -10.585 -41.840 -41.691 1.00 31.35 ? 322 THR A N 1 ATOM 1821 C CA . THR A 1 276 ? -11.859 -41.449 -42.269 1.00 31.65 ? 322 THR A CA 1 ATOM 1822 C C . THR A 1 276 ? -12.680 -42.700 -42.558 1.00 33.08 ? 322 THR A C 1 ATOM 1823 O O . THR A 1 276 ? -12.158 -43.690 -43.090 1.00 34.57 ? 322 THR A O 1 ATOM 1824 C CB . THR A 1 276 ? -11.709 -40.606 -43.559 1.00 31.65 ? 322 THR A CB 1 ATOM 1825 O OG1 . THR A 1 276 ? -13.010 -40.312 -44.080 1.00 30.71 ? 322 THR A OG1 1 ATOM 1826 C CG2 . THR A 1 276 ? -10.899 -41.343 -44.619 1.00 32.29 ? 322 THR A CG2 1 ATOM 1827 N N . PRO A 1 277 ? -13.964 -42.686 -42.168 1.00 32.46 ? 323 PRO A N 1 ATOM 1828 C CA . PRO A 1 277 ? -14.664 -41.650 -41.395 1.00 31.56 ? 323 PRO A CA 1 ATOM 1829 C C . PRO A 1 277 ? -14.079 -41.504 -39.993 1.00 31.79 ? 323 PRO A C 1 ATOM 1830 O O . PRO A 1 277 ? -13.344 -42.397 -39.592 1.00 33.21 ? 323 PRO A O 1 ATOM 1831 C CB . PRO A 1 277 ? -16.103 -42.175 -41.319 1.00 31.61 ? 323 PRO A CB 1 ATOM 1832 C CG . PRO A 1 277 ? -16.203 -43.228 -42.380 1.00 32.36 ? 323 PRO A CG 1 ATOM 1833 C CD . PRO A 1 277 ? -14.843 -43.822 -42.495 1.00 32.31 ? 323 PRO A CD 1 ATOM 1834 N N . VAL A 1 278 ? -14.375 -40.419 -39.277 1.00 31.42 ? 324 VAL A N 1 ATOM 1835 C CA . VAL A 1 278 ? -13.917 -40.238 -37.902 1.00 31.73 ? 324 VAL A CA 1 ATOM 1836 C C . VAL A 1 278 ? -14.250 -41.470 -37.063 1.00 34.21 ? 324 VAL A C 1 ATOM 1837 O O . VAL A 1 278 ? -15.294 -42.109 -37.255 1.00 36.28 ? 324 VAL A O 1 ATOM 1838 C CB . VAL A 1 278 ? -14.542 -38.971 -37.289 1.00 30.28 ? 324 VAL A CB 1 ATOM 1839 C CG1 . VAL A 1 278 ? -16.053 -39.153 -37.120 1.00 29.93 ? 324 VAL A CG1 1 ATOM 1840 C CG2 . VAL A 1 278 ? -13.882 -38.593 -35.955 1.00 28.30 ? 324 VAL A CG2 1 ATOM 1841 N N . ASN A 1 279 ? -13.355 -41.827 -36.139 1.00 34.03 ? 325 ASN A N 1 ATOM 1842 C CA . ASN A 1 279 ? -13.494 -42.950 -35.213 1.00 33.32 ? 325 ASN A CA 1 ATOM 1843 C C . ASN A 1 279 ? -13.473 -44.304 -35.919 1.00 34.63 ? 325 ASN A C 1 ATOM 1844 O O . ASN A 1 279 ? -13.634 -45.335 -35.251 1.00 36.01 ? 325 ASN A O 1 ATOM 1845 C CB . ASN A 1 279 ? -14.770 -42.850 -34.353 1.00 31.57 ? 325 ASN A CB 1 ATOM 1846 C CG . ASN A 1 279 ? -14.949 -41.469 -33.722 1.00 31.16 ? 325 ASN A CG 1 ATOM 1847 O OD1 . ASN A 1 279 ? -15.912 -40.758 -34.010 1.00 33.36 ? 325 ASN A OD1 1 ATOM 1848 N ND2 . ASN A 1 279 ? -14.023 -41.093 -32.854 1.00 28.84 ? 325 ASN A ND2 1 ATOM 1849 N N . SER A 1 280 ? -13.278 -44.347 -37.235 1.00 34.35 ? 326 SER A N 1 ATOM 1850 C CA . SER A 1 280 ? -13.309 -45.611 -37.971 1.00 34.50 ? 326 SER A CA 1 ATOM 1851 C C . SER A 1 280 ? -11.925 -46.237 -37.903 1.00 32.28 ? 326 SER A C 1 ATOM 1852 O O . SER A 1 280 ? -11.021 -45.867 -38.651 1.00 32.74 ? 326 SER A O 1 ATOM 1853 C CB . SER A 1 280 ? -13.750 -45.385 -39.411 1.00 37.12 ? 326 SER A CB 1 ATOM 1854 O OG . SER A 1 280 ? -13.818 -46.604 -40.124 1.00 39.47 ? 326 SER A OG 1 ATOM 1855 N N . PHE A 1 281 ? -11.744 -47.182 -36.995 1.00 30.13 ? 327 PHE A N 1 ATOM 1856 C CA . PHE A 1 281 ? -10.459 -47.851 -36.818 1.00 30.22 ? 327 PHE A CA 1 ATOM 1857 C C . PHE A 1 281 ? -10.702 -49.351 -36.741 1.00 31.58 ? 327 PHE A C 1 ATOM 1858 O O . PHE A 1 281 ? -10.711 -49.941 -35.654 1.00 31.06 ? 327 PHE A O 1 ATOM 1859 C CB . PHE A 1 281 ? -9.728 -47.322 -35.588 1.00 28.80 ? 327 PHE A CB 1 ATOM 1860 C CG . PHE A 1 281 ? -9.235 -45.903 -35.738 1.00 29.96 ? 327 PHE A CG 1 ATOM 1861 C CD1 . PHE A 1 281 ? -10.056 -44.827 -35.409 1.00 29.87 ? 327 PHE A CD1 1 ATOM 1862 C CD2 . PHE A 1 281 ? -7.942 -45.641 -36.196 1.00 30.06 ? 327 PHE A CD2 1 ATOM 1863 C CE1 . PHE A 1 281 ? -9.594 -43.517 -35.529 1.00 29.59 ? 327 PHE A CE1 1 ATOM 1864 C CE2 . PHE A 1 281 ? -7.477 -44.334 -36.322 1.00 28.99 ? 327 PHE A CE2 1 ATOM 1865 C CZ . PHE A 1 281 ? -8.304 -43.271 -35.997 1.00 28.91 ? 327 PHE A CZ 1 ATOM 1866 N N . PRO A 1 282 ? -10.910 -49.995 -37.883 1.00 33.71 ? 328 PRO A N 1 ATOM 1867 C CA . PRO A 1 282 ? -11.106 -51.456 -37.908 1.00 35.44 ? 328 PRO A CA 1 ATOM 1868 C C . PRO A 1 282 ? -9.896 -52.177 -37.339 1.00 36.73 ? 328 PRO A C 1 ATOM 1869 O O . PRO A 1 282 ? -8.754 -51.885 -37.724 1.00 37.31 ? 328 PRO A O 1 ATOM 1870 C CB . PRO A 1 282 ? -11.287 -51.767 -39.403 1.00 36.40 ? 328 PRO A CB 1 ATOM 1871 C CG . PRO A 1 282 ? -10.824 -50.525 -40.132 1.00 36.43 ? 328 PRO A CG 1 ATOM 1872 C CD . PRO A 1 282 ? -11.038 -49.377 -39.210 1.00 34.71 ? 328 PRO A CD 1 ATOM 1873 N N . PRO A 1 283 ? -10.096 -53.109 -36.409 1.00 37.60 ? 329 PRO A N 1 ATOM 1874 C CA . PRO A 1 283 ? -8.959 -53.830 -35.816 1.00 37.92 ? 329 PRO A CA 1 ATOM 1875 C C . PRO A 1 283 ? -8.270 -54.698 -36.854 1.00 39.80 ? 329 PRO A C 1 ATOM 1876 O O . PRO A 1 283 ? -8.824 -54.938 -37.938 1.00 40.37 ? 329 PRO A O 1 ATOM 1877 C CB . PRO A 1 283 ? -9.616 -54.679 -34.715 1.00 37.34 ? 329 PRO A CB 1 ATOM 1878 C CG . PRO A 1 283 ? -10.900 -53.993 -34.422 1.00 36.51 ? 329 PRO A CG 1 ATOM 1879 C CD . PRO A 1 283 ? -11.362 -53.446 -35.737 1.00 37.37 ? 329 PRO A CD 1 ATOM 1880 N N . PRO A 1 284 ? -7.053 -55.174 -36.570 1.00 40.44 ? 330 PRO A N 1 ATOM 1881 C CA . PRO A 1 284 ? -6.271 -55.860 -37.619 1.00 41.90 ? 330 PRO A CA 1 ATOM 1882 C C . PRO A 1 284 ? -6.925 -57.108 -38.185 1.00 44.00 ? 330 PRO A C 1 ATOM 1883 O O . PRO A 1 284 ? -6.513 -57.551 -39.263 1.00 46.59 ? 330 PRO A O 1 ATOM 1884 C CB . PRO A 1 284 ? -4.937 -56.184 -36.924 1.00 40.91 ? 330 PRO A CB 1 ATOM 1885 C CG . PRO A 1 284 ? -5.155 -55.921 -35.473 1.00 39.52 ? 330 PRO A CG 1 ATOM 1886 C CD . PRO A 1 284 ? -6.241 -54.897 -35.375 1.00 38.68 ? 330 PRO A CD 1 ATOM 1887 N N . PHE A 1 285 ? -7.946 -57.673 -37.533 1.00 43.81 ? 331 PHE A N 1 ATOM 1888 C CA . PHE A 1 285 ? -8.650 -58.799 -38.148 1.00 46.07 ? 331 PHE A CA 1 ATOM 1889 C C . PHE A 1 285 ? -9.442 -58.399 -39.390 1.00 47.90 ? 331 PHE A C 1 ATOM 1890 O O . PHE A 1 285 ? -10.035 -59.267 -40.038 1.00 50.44 ? 331 PHE A O 1 ATOM 1891 C CB . PHE A 1 285 ? -9.574 -59.495 -37.135 1.00 46.03 ? 331 PHE A CB 1 ATOM 1892 C CG . PHE A 1 285 ? -10.772 -58.668 -36.678 1.00 44.11 ? 331 PHE A CG 1 ATOM 1893 C CD1 . PHE A 1 285 ? -11.906 -58.545 -37.479 1.00 43.67 ? 331 PHE A CD1 1 ATOM 1894 C CD2 . PHE A 1 285 ? -10.788 -58.076 -35.415 1.00 41.25 ? 331 PHE A CD2 1 ATOM 1895 C CE1 . PHE A 1 285 ? -13.004 -57.810 -37.049 1.00 42.26 ? 331 PHE A CE1 1 ATOM 1896 C CE2 . PHE A 1 285 ? -11.889 -57.347 -34.983 1.00 39.83 ? 331 PHE A CE2 1 ATOM 1897 C CZ . PHE A 1 285 ? -12.995 -57.212 -35.802 1.00 40.48 ? 331 PHE A CZ 1 ATOM 1898 N N . ILE A 1 286 ? -9.465 -57.118 -39.727 1.00 47.63 ? 332 ILE A N 1 ATOM 1899 C CA . ILE A 1 286 ? -10.092 -56.605 -40.934 1.00 49.52 ? 332 ILE A CA 1 ATOM 1900 C C . ILE A 1 286 ? -8.979 -56.338 -41.941 1.00 53.56 ? 332 ILE A C 1 ATOM 1901 O O . ILE A 1 286 ? -8.169 -55.425 -41.747 1.00 52.11 ? 332 ILE A O 1 ATOM 1902 C CB . ILE A 1 286 ? -10.901 -55.334 -40.638 1.00 46.96 ? 332 ILE A CB 1 ATOM 1903 C CG1 . ILE A 1 286 ? -11.979 -55.611 -39.585 1.00 46.95 ? 332 ILE A CG1 1 ATOM 1904 C CG2 . ILE A 1 286 ? -11.491 -54.753 -41.902 1.00 46.34 ? 332 ILE A CG2 1 ATOM 1905 C CD1 . ILE A 1 286 ? -13.204 -56.327 -40.125 1.00 49.34 ? 332 ILE A CD1 1 ATOM 1906 N N . GLU A 1 287 ? -8.917 -57.140 -43.002 1.00 57.69 ? 333 GLU A N 1 ATOM 1907 C CA . GLU A 1 287 ? -7.964 -56.946 -44.086 1.00 60.97 ? 333 GLU A CA 1 ATOM 1908 C C . GLU A 1 287 ? -8.653 -56.266 -45.267 1.00 64.80 ? 333 GLU A C 1 ATOM 1909 O O . GLU A 1 287 ? -9.832 -55.913 -45.218 1.00 66.98 ? 333 GLU A O 1 ATOM 1910 C CB . GLU A 1 287 ? -7.340 -58.277 -44.519 1.00 64.33 ? 333 GLU A CB 1 ATOM 1911 C CG . GLU A 1 287 ? -6.372 -58.883 -43.519 1.00 66.33 ? 333 GLU A CG 1 ATOM 1912 C CD . GLU A 1 287 ? -6.678 -60.341 -43.236 1.00 68.68 ? 333 GLU A CD 1 ATOM 1913 O OE1 . GLU A 1 287 ? -6.836 -60.689 -42.047 1.00 68.39 ? 333 GLU A OE1 1 ATOM 1914 O OE2 . GLU A 1 287 ? -6.773 -61.134 -44.198 1.00 71.72 ? 333 GLU A OE2 1 ATOM 1915 N N . GLY A 1 288 ? -7.915 -56.096 -46.352 1.00 65.18 ? 334 GLY A N 1 ATOM 1916 C CA . GLY A 1 288 ? -8.469 -55.422 -47.504 1.00 66.13 ? 334 GLY A CA 1 ATOM 1917 C C . GLY A 1 288 ? -8.324 -53.923 -47.389 1.00 65.64 ? 334 GLY A C 1 ATOM 1918 O O . GLY A 1 288 ? -7.820 -53.378 -46.404 1.00 62.16 ? 334 GLY A O 1 ATOM 1919 N N . ASN A 1 289 ? -8.786 -53.236 -48.430 1.00 70.42 ? 335 ASN A N 1 ATOM 1920 C CA . ASN A 1 289 ? -8.536 -51.804 -48.546 1.00 73.00 ? 335 ASN A CA 1 ATOM 1921 C C . ASN A 1 289 ? -9.460 -50.958 -47.673 1.00 62.84 ? 335 ASN A C 1 ATOM 1922 O O . ASN A 1 289 ? -9.155 -49.781 -47.442 1.00 58.71 ? 335 ASN A O 1 ATOM 1923 C CB . ASN A 1 289 ? -8.593 -51.420 -50.038 1.00 85.43 ? 335 ASN A CB 1 ATOM 1924 C CG . ASN A 1 289 ? -8.933 -49.960 -50.288 1.00 95.01 ? 335 ASN A CG 1 ATOM 1925 O OD1 . ASN A 1 289 ? -10.051 -49.671 -50.683 1.00 96.97 ? 335 ASN A OD1 1 ATOM 1926 N ND2 . ASN A 1 289 ? -7.959 -49.065 -50.185 1.00 101.22 ? 335 ASN A ND2 1 ATOM 1927 N N . HIS A 1 290 ? -10.542 -51.525 -47.133 1.00 57.55 ? 336 HIS A N 1 ATOM 1928 C CA . HIS A 1 290 ? -11.316 -50.806 -46.125 1.00 52.55 ? 336 HIS A CA 1 ATOM 1929 C C . HIS A 1 290 ? -10.731 -50.944 -44.720 1.00 47.83 ? 336 HIS A C 1 ATOM 1930 O O . HIS A 1 290 ? -11.366 -50.499 -43.760 1.00 45.69 ? 336 HIS A O 1 ATOM 1931 C CB . HIS A 1 290 ? -12.783 -51.255 -46.126 1.00 54.04 ? 336 HIS A CB 1 ATOM 1932 C CG . HIS A 1 290 ? -12.995 -52.667 -45.684 1.00 56.10 ? 336 HIS A CG 1 ATOM 1933 N ND1 . HIS A 1 290 ? -14.241 -53.166 -45.371 1.00 57.00 ? 336 HIS A ND1 1 ATOM 1934 C CD2 . HIS A 1 290 ? -12.126 -53.693 -45.513 1.00 56.83 ? 336 HIS A CD2 1 ATOM 1935 C CE1 . HIS A 1 290 ? -14.130 -54.435 -45.016 1.00 57.35 ? 336 HIS A CE1 1 ATOM 1936 N NE2 . HIS A 1 290 ? -12.858 -54.780 -45.095 1.00 57.22 ? 336 HIS A NE2 1 ATOM 1937 N N . SER A 1 291 ? -9.544 -51.533 -44.583 1.00 46.52 ? 337 SER A N 1 ATOM 1938 C CA . SER A 1 291 ? -8.840 -51.583 -43.307 1.00 44.07 ? 337 SER A CA 1 ATOM 1939 C C . SER A 1 291 ? -8.105 -50.263 -43.072 1.00 44.06 ? 337 SER A C 1 ATOM 1940 O O . SER A 1 291 ? -8.285 -49.282 -43.799 1.00 45.90 ? 337 SER A O 1 ATOM 1941 C CB . SER A 1 291 ? -7.867 -52.751 -43.274 1.00 43.45 ? 337 SER A CB 1 ATOM 1942 O OG . SER A 1 291 ? -6.703 -52.432 -44.015 1.00 44.08 ? 337 SER A OG 1 ATOM 1943 N N . SER A 1 292 ? -7.245 -50.233 -42.053 1.00 41.44 ? 338 SER A N 1 ATOM 1944 C CA . SER A 1 292 ? -6.498 -49.037 -41.685 1.00 37.94 ? 338 SER A CA 1 ATOM 1945 C C . SER A 1 292 ? -5.100 -49.005 -42.285 1.00 37.27 ? 338 SER A C 1 ATOM 1946 O O . SER A 1 292 ? -4.300 -48.141 -41.908 1.00 37.05 ? 338 SER A O 1 ATOM 1947 C CB . SER A 1 292 ? -6.399 -48.925 -40.161 1.00 35.21 ? 338 SER A CB 1 ATOM 1948 O OG . SER A 1 292 ? -7.565 -48.346 -39.618 1.00 34.31 ? 338 SER A OG 1 ATOM 1949 N N . ARG A 1 293 ? -4.790 -49.935 -43.194 1.00 37.80 ? 339 ARG A N 1 ATOM 1950 C CA . ARG A 1 293 ? -3.446 -50.026 -43.760 1.00 39.36 ? 339 ARG A CA 1 ATOM 1951 C C . ARG A 1 293 ? -3.016 -48.714 -44.405 1.00 38.28 ? 339 ARG A C 1 ATOM 1952 O O . ARG A 1 293 ? -1.863 -48.290 -44.257 1.00 36.90 ? 339 ARG A O 1 ATOM 1953 C CB . ARG A 1 293 ? -3.376 -51.159 -44.784 1.00 43.33 ? 339 ARG A CB 1 ATOM 1954 C CG . ARG A 1 293 ? -2.065 -51.184 -45.554 1.00 47.93 ? 339 ARG A CG 1 ATOM 1955 C CD . ARG A 1 293 ? -2.074 -52.164 -46.713 1.00 55.11 ? 339 ARG A CD 1 ATOM 1956 N NE . ARG A 1 293 ? -2.022 -53.548 -46.233 1.00 61.12 ? 339 ARG A NE 1 ATOM 1957 C CZ . ARG A 1 293 ? -0.973 -54.131 -45.651 1.00 65.55 ? 339 ARG A CZ 1 ATOM 1958 N NH1 . ARG A 1 293 ? 0.154 -53.452 -45.485 1.00 66.37 ? 339 ARG A NH1 1 ATOM 1959 N NH2 . ARG A 1 293 ? -1.067 -55.398 -45.257 1.00 67.56 ? 339 ARG A NH2 1 ATOM 1960 N N . TRP A 1 294 ? -3.928 -48.059 -45.126 1.00 38.38 ? 340 TRP A N 1 ATOM 1961 C CA . TRP A 1 294 ? -3.594 -46.782 -45.742 1.00 39.08 ? 340 TRP A CA 1 ATOM 1962 C C . TRP A 1 294 ? -3.086 -45.783 -44.701 1.00 37.63 ? 340 TRP A C 1 ATOM 1963 O O . TRP A 1 294 ? -2.117 -45.056 -44.946 1.00 37.75 ? 340 TRP A O 1 ATOM 1964 C CB . TRP A 1 294 ? -4.813 -46.230 -46.486 1.00 39.31 ? 340 TRP A CB 1 ATOM 1965 C CG . TRP A 1 294 ? -5.950 -45.915 -45.563 1.00 38.37 ? 340 TRP A CG 1 ATOM 1966 C CD1 . TRP A 1 294 ? -6.878 -46.792 -45.069 1.00 38.13 ? 340 TRP A CD1 1 ATOM 1967 C CD2 . TRP A 1 294 ? -6.262 -44.636 -44.990 1.00 36.08 ? 340 TRP A CD2 1 ATOM 1968 N NE1 . TRP A 1 294 ? -7.751 -46.137 -44.234 1.00 36.46 ? 340 TRP A NE1 1 ATOM 1969 C CE2 . TRP A 1 294 ? -7.396 -44.813 -44.167 1.00 34.91 ? 340 TRP A CE2 1 ATOM 1970 C CE3 . TRP A 1 294 ? -5.695 -43.359 -45.097 1.00 33.56 ? 340 TRP A CE3 1 ATOM 1971 C CZ2 . TRP A 1 294 ? -7.975 -43.761 -43.461 1.00 32.31 ? 340 TRP A CZ2 1 ATOM 1972 C CZ3 . TRP A 1 294 ? -6.269 -42.320 -44.394 1.00 31.91 ? 340 TRP A CZ3 1 ATOM 1973 C CH2 . TRP A 1 294 ? -7.399 -42.526 -43.586 1.00 31.56 ? 340 TRP A CH2 1 ATOM 1974 N N . LEU A 1 295 ? -3.690 -45.769 -43.515 1.00 36.51 ? 341 LEU A N 1 ATOM 1975 C CA . LEU A 1 295 ? -3.343 -44.753 -42.535 1.00 36.44 ? 341 LEU A CA 1 ATOM 1976 C C . LEU A 1 295 ? -2.114 -45.120 -41.713 1.00 38.61 ? 341 LEU A C 1 ATOM 1977 O O . LEU A 1 295 ? -1.273 -44.252 -41.449 1.00 39.90 ? 341 LEU A O 1 ATOM 1978 C CB . LEU A 1 295 ? -4.536 -44.484 -41.614 1.00 33.78 ? 341 LEU A CB 1 ATOM 1979 C CG . LEU A 1 295 ? -4.351 -43.442 -40.501 1.00 30.96 ? 341 LEU A CG 1 ATOM 1980 C CD1 . LEU A 1 295 ? -4.265 -42.040 -41.086 1.00 31.46 ? 341 LEU A CD1 1 ATOM 1981 C CD2 . LEU A 1 295 ? -5.495 -43.542 -39.504 1.00 28.22 ? 341 LEU A CD2 1 ATOM 1982 N N . TYR A 1 296 ? -1.966 -46.363 -41.325 1.00 39.26 ? 342 TYR A N 1 ATOM 1983 C CA . TYR A 1 296 ? -0.843 -46.753 -40.497 1.00 39.38 ? 342 TYR A CA 1 ATOM 1984 C C . TYR A 1 296 ? 0.474 -46.718 -41.226 1.00 42.28 ? 342 TYR A C 1 ATOM 1985 O O . TYR A 1 296 ? 1.491 -46.388 -40.654 1.00 42.67 ? 342 TYR A O 1 ATOM 1986 C CB . TYR A 1 296 ? -1.077 -48.110 -39.836 1.00 37.24 ? 342 TYR A CB 1 ATOM 1987 C CG . TYR A 1 296 ? -2.222 -48.120 -38.856 1.00 34.97 ? 342 TYR A CG 1 ATOM 1988 C CD1 . TYR A 1 296 ? -2.672 -46.965 -38.293 1.00 33.38 ? 342 TYR A CD1 1 ATOM 1989 C CD2 . TYR A 1 296 ? -2.849 -49.282 -38.513 1.00 34.46 ? 342 TYR A CD2 1 ATOM 1990 C CE1 . TYR A 1 296 ? -3.709 -46.968 -37.411 1.00 31.99 ? 342 TYR A CE1 1 ATOM 1991 C CE2 . TYR A 1 296 ? -3.883 -49.293 -37.633 1.00 33.38 ? 342 TYR A CE2 1 ATOM 1992 C CZ . TYR A 1 296 ? -4.310 -48.132 -37.084 1.00 32.10 ? 342 TYR A CZ 1 ATOM 1993 O OH . TYR A 1 296 ? -5.344 -48.126 -36.222 1.00 30.13 ? 342 TYR A OH 1 ATOM 1994 N N . GLU A 1 297 ? 0.444 -47.032 -42.502 1.00 43.81 ? 343 GLU A N 1 ATOM 1995 C CA . GLU A 1 297 ? 1.626 -47.015 -43.308 1.00 46.59 ? 343 GLU A CA 1 ATOM 1996 C C . GLU A 1 297 ? 2.054 -45.654 -43.638 1.00 44.40 ? 343 GLU A C 1 ATOM 1997 O O . GLU A 1 297 ? 3.209 -45.422 -43.786 1.00 44.34 ? 343 GLU A O 1 ATOM 1998 C CB . GLU A 1 297 ? 1.425 -47.825 -44.551 1.00 51.14 ? 343 GLU A CB 1 ATOM 1999 C CG . GLU A 1 297 ? 1.073 -49.201 -44.133 1.00 57.40 ? 343 GLU A CG 1 ATOM 2000 C CD . GLU A 1 297 ? 1.813 -50.232 -44.861 1.00 62.19 ? 343 GLU A CD 1 ATOM 2001 O OE1 . GLU A 1 297 ? 1.425 -50.520 -45.999 1.00 64.34 ? 343 GLU A OE1 1 ATOM 2002 O OE2 . GLU A 1 297 ? 2.745 -50.777 -44.281 1.00 64.08 ? 343 GLU A OE2 1 ATOM 2003 N N . ALA A 1 298 ? 1.123 -44.736 -43.729 1.00 42.69 ? 344 ALA A N 1 ATOM 2004 C CA . ALA A 1 298 ? 1.474 -43.375 -43.973 1.00 40.89 ? 344 ALA A CA 1 ATOM 2005 C C . ALA A 1 298 ? 2.134 -42.828 -42.704 1.00 39.58 ? 344 ALA A C 1 ATOM 2006 O O . ALA A 1 298 ? 3.048 -42.064 -42.774 1.00 40.29 ? 344 ALA A O 1 ATOM 2007 C CB . ALA A 1 298 ? 0.276 -42.575 -44.393 1.00 39.62 ? 344 ALA A CB 1 ATOM 2008 N N . MET A 1 299 ? 1.652 -43.237 -41.548 1.00 37.42 ? 345 MET A N 1 ATOM 2009 C CA . MET A 1 299 ? 2.236 -42.859 -40.298 1.00 35.99 ? 345 MET A CA 1 ATOM 2010 C C . MET A 1 299 ? 3.643 -43.448 -40.189 1.00 35.55 ? 345 MET A C 1 ATOM 2011 O O . MET A 1 299 ? 4.523 -42.763 -39.795 1.00 34.75 ? 345 MET A O 1 ATOM 2012 C CB . MET A 1 299 ? 1.360 -43.316 -39.134 1.00 33.36 ? 345 MET A CB 1 ATOM 2013 C CG . MET A 1 299 ? 0.091 -42.530 -38.923 1.00 32.57 ? 345 MET A CG 1 ATOM 2014 S SD . MET A 1 299 ? -1.112 -43.317 -37.878 1.00 32.03 ? 345 MET A SD 1 ATOM 2015 C CE . MET A 1 299 ? -2.230 -42.000 -37.661 1.00 31.14 ? 345 MET A CE 1 ATOM 2016 N N . ALA A 1 300 ? 3.843 -44.704 -40.565 1.00 35.53 ? 346 ALA A N 1 ATOM 2017 C CA . ALA A 1 300 ? 5.168 -45.309 -40.454 1.00 35.66 ? 346 ALA A CA 1 ATOM 2018 C C . ALA A 1 300 ? 6.177 -44.596 -41.347 1.00 36.79 ? 346 ALA A C 1 ATOM 2019 O O . ALA A 1 300 ? 7.351 -44.446 -40.983 1.00 37.15 ? 346 ALA A O 1 ATOM 2020 C CB . ALA A 1 300 ? 5.102 -46.798 -40.789 1.00 35.46 ? 346 ALA A CB 1 ATOM 2021 N N . LYS A 1 301 ? 5.735 -44.132 -42.511 1.00 37.30 ? 347 LYS A N 1 ATOM 2022 C CA . LYS A 1 301 ? 6.623 -43.376 -43.381 1.00 39.66 ? 347 LYS A CA 1 ATOM 2023 C C . LYS A 1 301 ? 6.816 -41.948 -42.886 1.00 40.03 ? 347 LYS A C 1 ATOM 2024 O O . LYS A 1 301 ? 7.929 -41.415 -42.966 1.00 42.34 ? 347 LYS A O 1 ATOM 2025 C CB . LYS A 1 301 ? 6.078 -43.402 -44.807 1.00 41.62 ? 347 LYS A CB 1 ATOM 2026 C CG . LYS A 1 301 ? 6.470 -42.232 -45.658 1.00 44.87 ? 347 LYS A CG 1 ATOM 2027 C CD . LYS A 1 301 ? 5.890 -42.377 -47.070 1.00 47.93 ? 347 LYS A CD 1 ATOM 2028 C CE . LYS A 1 301 ? 6.979 -42.333 -48.122 1.00 51.09 ? 347 LYS A CE 1 ATOM 2029 N NZ . LYS A 1 301 ? 6.485 -42.800 -49.448 1.00 53.73 ? 347 LYS A NZ 1 ATOM 2030 N N . ALA A 1 302 ? 5.764 -41.332 -42.341 1.00 38.30 ? 348 ALA A N 1 ATOM 2031 C CA . ALA A 1 302 ? 5.860 -39.970 -41.827 1.00 37.43 ? 348 ALA A CA 1 ATOM 2032 C C . ALA A 1 302 ? 6.663 -39.889 -40.533 1.00 38.00 ? 348 ALA A C 1 ATOM 2033 O O . ALA A 1 302 ? 7.282 -38.853 -40.262 1.00 38.40 ? 348 ALA A O 1 ATOM 2034 C CB . ALA A 1 302 ? 4.460 -39.393 -41.597 1.00 34.93 ? 348 ALA A CB 1 ATOM 2035 N N . TRP A 1 303 ? 6.661 -40.953 -39.724 1.00 37.27 ? 349 TRP A N 1 ATOM 2036 C CA . TRP A 1 303 ? 7.296 -40.934 -38.414 1.00 35.96 ? 349 TRP A CA 1 ATOM 2037 C C . TRP A 1 303 ? 8.515 -41.839 -38.347 1.00 38.25 ? 349 TRP A C 1 ATOM 2038 O O . TRP A 1 303 ? 9.044 -42.062 -37.252 1.00 38.99 ? 349 TRP A O 1 ATOM 2039 C CB . TRP A 1 303 ? 6.292 -41.323 -37.322 1.00 32.51 ? 349 TRP A CB 1 ATOM 2040 C CG . TRP A 1 303 ? 5.081 -40.441 -37.288 1.00 30.32 ? 349 TRP A CG 1 ATOM 2041 C CD1 . TRP A 1 303 ? 4.986 -39.167 -37.767 1.00 30.41 ? 349 TRP A CD1 1 ATOM 2042 C CD2 . TRP A 1 303 ? 3.784 -40.775 -36.779 1.00 28.89 ? 349 TRP A CD2 1 ATOM 2043 N NE1 . TRP A 1 303 ? 3.719 -38.681 -37.576 1.00 29.33 ? 349 TRP A NE1 1 ATOM 2044 C CE2 . TRP A 1 303 ? 2.959 -39.647 -36.971 1.00 28.76 ? 349 TRP A CE2 1 ATOM 2045 C CE3 . TRP A 1 303 ? 3.240 -41.913 -36.170 1.00 28.07 ? 349 TRP A CE3 1 ATOM 2046 C CZ2 . TRP A 1 303 ? 1.613 -39.626 -36.582 1.00 27.86 ? 349 TRP A CZ2 1 ATOM 2047 C CZ3 . TRP A 1 303 ? 1.901 -41.887 -35.783 1.00 27.05 ? 349 TRP A CZ3 1 ATOM 2048 C CH2 . TRP A 1 303 ? 1.107 -40.754 -35.992 1.00 26.82 ? 349 TRP A CH2 1 ATOM 2049 N N . GLU A 1 304 ? 8.958 -42.378 -39.480 1.00 39.68 ? 350 GLU A N 1 ATOM 2050 C CA . GLU A 1 304 ? 10.224 -43.107 -39.518 1.00 41.20 ? 350 GLU A CA 1 ATOM 2051 C C . GLU A 1 304 ? 11.398 -42.330 -38.910 1.00 40.81 ? 350 GLU A C 1 ATOM 2052 O O . GLU A 1 304 ? 12.210 -42.956 -38.208 1.00 38.85 ? 350 GLU A O 1 ATOM 2053 C CB . GLU A 1 304 ? 10.515 -43.525 -40.970 1.00 43.97 ? 350 GLU A CB 1 ATOM 2054 C CG . GLU A 1 304 ? 11.661 -44.494 -41.144 1.00 48.35 ? 350 GLU A CG 1 ATOM 2055 C CD . GLU A 1 304 ? 13.017 -43.824 -41.015 1.00 53.88 ? 350 GLU A CD 1 ATOM 2056 O OE1 . GLU A 1 304 ? 13.162 -42.667 -41.476 1.00 56.01 ? 350 GLU A OE1 1 ATOM 2057 O OE2 . GLU A 1 304 ? 13.937 -44.441 -40.429 1.00 55.86 ? 350 GLU A OE2 1 ATOM 2058 N N . PRO A 1 305 ? 11.559 -41.015 -39.133 1.00 42.53 ? 351 PRO A N 1 ATOM 2059 C CA . PRO A 1 305 ? 12.680 -40.299 -38.489 1.00 42.38 ? 351 PRO A CA 1 ATOM 2060 C C . PRO A 1 305 ? 12.706 -40.417 -36.974 1.00 41.31 ? 351 PRO A C 1 ATOM 2061 O O . PRO A 1 305 ? 13.783 -40.316 -36.375 1.00 42.79 ? 351 PRO A O 1 ATOM 2062 C CB . PRO A 1 305 ? 12.468 -38.836 -38.907 1.00 42.73 ? 351 PRO A CB 1 ATOM 2063 C CG . PRO A 1 305 ? 11.450 -38.829 -39.971 1.00 43.76 ? 351 PRO A CG 1 ATOM 2064 C CD . PRO A 1 305 ? 10.927 -40.208 -40.195 1.00 43.71 ? 351 PRO A CD 1 ATOM 2065 N N . TRP A 1 306 ? 11.553 -40.627 -36.336 1.00 39.07 ? 352 TRP A N 1 ATOM 2066 C CA . TRP A 1 306 ? 11.427 -40.619 -34.883 1.00 36.45 ? 352 TRP A CA 1 ATOM 2067 C C . TRP A 1 306 ? 11.326 -41.995 -34.257 1.00 37.78 ? 352 TRP A C 1 ATOM 2068 O O . TRP A 1 306 ? 11.641 -42.136 -33.076 1.00 38.33 ? 352 TRP A O 1 ATOM 2069 C CB . TRP A 1 306 ? 10.178 -39.844 -34.459 1.00 32.52 ? 352 TRP A CB 1 ATOM 2070 C CG . TRP A 1 306 ? 10.180 -38.410 -34.831 1.00 30.76 ? 352 TRP A CG 1 ATOM 2071 C CD1 . TRP A 1 306 ? 11.256 -37.577 -34.887 1.00 30.57 ? 352 TRP A CD1 1 ATOM 2072 C CD2 . TRP A 1 306 ? 9.037 -37.623 -35.190 1.00 28.75 ? 352 TRP A CD2 1 ATOM 2073 N NE1 . TRP A 1 306 ? 10.856 -36.315 -35.262 1.00 30.70 ? 352 TRP A NE1 1 ATOM 2074 C CE2 . TRP A 1 306 ? 9.498 -36.316 -35.451 1.00 29.74 ? 352 TRP A CE2 1 ATOM 2075 C CE3 . TRP A 1 306 ? 7.670 -37.896 -35.310 1.00 27.08 ? 352 TRP A CE3 1 ATOM 2076 C CZ2 . TRP A 1 306 ? 8.640 -35.281 -35.831 1.00 30.05 ? 352 TRP A CZ2 1 ATOM 2077 C CZ3 . TRP A 1 306 ? 6.817 -36.872 -35.688 1.00 24.60 ? 352 TRP A CZ3 1 ATOM 2078 C CH2 . TRP A 1 306 ? 7.307 -35.578 -35.943 1.00 29.74 ? 352 TRP A CH2 1 ATOM 2079 N N . LEU A 1 307 ? 10.860 -42.999 -34.996 1.00 38.35 ? 353 LEU A N 1 ATOM 2080 C CA . LEU A 1 307 ? 10.539 -44.277 -34.377 1.00 38.17 ? 353 LEU A CA 1 ATOM 2081 C C . LEU A 1 307 ? 11.532 -45.357 -34.794 1.00 40.70 ? 353 LEU A C 1 ATOM 2082 O O . LEU A 1 307 ? 11.896 -45.442 -35.977 1.00 42.45 ? 353 LEU A O 1 ATOM 2083 C CB . LEU A 1 307 ? 9.115 -44.721 -34.752 1.00 36.71 ? 353 LEU A CB 1 ATOM 2084 C CG . LEU A 1 307 ? 7.937 -44.271 -33.875 1.00 34.46 ? 353 LEU A CG 1 ATOM 2085 C CD1 . LEU A 1 307 ? 8.304 -43.103 -32.963 1.00 33.53 ? 353 LEU A CD1 1 ATOM 2086 C CD2 . LEU A 1 307 ? 6.733 -43.909 -34.726 1.00 33.59 ? 353 LEU A CD2 1 ATOM 2087 N N . PRO A 1 308 ? 11.980 -46.197 -33.857 1.00 40.09 ? 354 PRO A N 1 ATOM 2088 C CA . PRO A 1 308 ? 12.862 -47.313 -34.220 1.00 41.28 ? 354 PRO A CA 1 ATOM 2089 C C . PRO A 1 308 ? 12.120 -48.337 -35.065 1.00 42.68 ? 354 PRO A C 1 ATOM 2090 O O . PRO A 1 308 ? 10.889 -48.337 -35.169 1.00 41.36 ? 354 PRO A O 1 ATOM 2091 C CB . PRO A 1 308 ? 13.278 -47.917 -32.873 1.00 39.97 ? 354 PRO A CB 1 ATOM 2092 C CG . PRO A 1 308 ? 12.839 -46.936 -31.833 1.00 38.05 ? 354 PRO A CG 1 ATOM 2093 C CD . PRO A 1 308 ? 11.676 -46.187 -32.418 1.00 37.56 ? 354 PRO A CD 1 ATOM 2094 N N . ALA A 1 309 ? 12.909 -49.241 -35.653 1.00 44.77 ? 355 ALA A N 1 ATOM 2095 C CA . ALA A 1 309 ? 12.360 -50.273 -36.526 1.00 44.67 ? 355 ALA A CA 1 ATOM 2096 C C . ALA A 1 309 ? 11.326 -51.127 -35.801 1.00 44.78 ? 355 ALA A C 1 ATOM 2097 O O . ALA A 1 309 ? 10.289 -51.473 -36.377 1.00 45.10 ? 355 ALA A O 1 ATOM 2098 C CB . ALA A 1 309 ? 13.490 -51.142 -37.082 1.00 45.11 ? 355 ALA A CB 1 ATOM 2099 N N . GLU A 1 310 ? 11.581 -51.475 -34.535 1.00 44.90 ? 356 GLU A N 1 ATOM 2100 C CA . GLU A 1 310 ? 10.605 -52.276 -33.803 1.00 45.74 ? 356 GLU A CA 1 ATOM 2101 C C . GLU A 1 310 ? 9.315 -51.498 -33.590 1.00 43.18 ? 356 GLU A C 1 ATOM 2102 O O . GLU A 1 310 ? 8.221 -52.064 -33.685 1.00 42.41 ? 356 GLU A O 1 ATOM 2103 C CB . GLU A 1 310 ? 11.193 -52.785 -32.476 1.00 48.65 ? 356 GLU A CB 1 ATOM 2104 C CG . GLU A 1 310 ? 11.743 -51.766 -31.454 1.00 51.14 ? 356 GLU A CG 1 ATOM 2105 C CD . GLU A 1 310 ? 10.679 -51.061 -30.627 1.00 51.82 ? 356 GLU A CD 1 ATOM 2106 O OE1 . GLU A 1 310 ? 10.715 -49.810 -30.549 1.00 52.07 ? 356 GLU A OE1 1 ATOM 2107 O OE2 . GLU A 1 310 ? 9.808 -51.756 -30.048 1.00 52.23 ? 356 GLU A OE2 1 ATOM 2108 N N . ALA A 1 311 ? 9.415 -50.196 -33.327 1.00 40.07 ? 357 ALA A N 1 ATOM 2109 C CA . ALA A 1 311 ? 8.203 -49.406 -33.168 1.00 37.77 ? 357 ALA A CA 1 ATOM 2110 C C . ALA A 1 311 ? 7.425 -49.341 -34.477 1.00 38.06 ? 357 ALA A C 1 ATOM 2111 O O . ALA A 1 311 ? 6.208 -49.554 -34.493 1.00 37.51 ? 357 ALA A O 1 ATOM 2112 C CB . ALA A 1 311 ? 8.551 -48.008 -32.652 1.00 35.40 ? 357 ALA A CB 1 ATOM 2113 N N . LEU A 1 312 ? 8.109 -49.083 -35.593 1.00 39.65 ? 358 LEU A N 1 ATOM 2114 C CA . LEU A 1 312 ? 7.407 -48.969 -36.867 1.00 40.87 ? 358 LEU A CA 1 ATOM 2115 C C . LEU A 1 312 ? 6.665 -50.251 -37.222 1.00 44.61 ? 358 LEU A C 1 ATOM 2116 O O . LEU A 1 312 ? 5.589 -50.190 -37.829 1.00 45.64 ? 358 LEU A O 1 ATOM 2117 C CB . LEU A 1 312 ? 8.385 -48.592 -37.979 1.00 39.41 ? 358 LEU A CB 1 ATOM 2118 C CG . LEU A 1 312 ? 8.963 -47.188 -37.836 1.00 37.48 ? 358 LEU A CG 1 ATOM 2119 C CD1 . LEU A 1 312 ? 10.070 -46.962 -38.860 1.00 38.17 ? 358 LEU A CD1 1 ATOM 2120 C CD2 . LEU A 1 312 ? 7.872 -46.121 -37.945 1.00 35.48 ? 358 LEU A CD2 1 ATOM 2121 N N . ARG A 1 313 ? 7.212 -51.414 -36.854 1.00 46.73 ? 359 ARG A N 1 ATOM 2122 C CA . ARG A 1 313 ? 6.542 -52.677 -37.151 1.00 49.05 ? 359 ARG A CA 1 ATOM 2123 C C . ARG A 1 313 ? 5.199 -52.769 -36.428 1.00 45.62 ? 359 ARG A C 1 ATOM 2124 O O . ARG A 1 313 ? 4.171 -53.086 -37.037 1.00 44.14 ? 359 ARG A O 1 ATOM 2125 C CB . ARG A 1 313 ? 7.463 -53.848 -36.778 1.00 54.00 ? 359 ARG A CB 1 ATOM 2126 C CG . ARG A 1 313 ? 6.746 -55.164 -36.405 1.00 58.88 ? 359 ARG A CG 1 ATOM 2127 C CD . ARG A 1 313 ? 7.536 -56.084 -35.442 1.00 63.22 ? 359 ARG A CD 1 ATOM 2128 N NE . ARG A 1 313 ? 7.647 -55.609 -34.044 1.00 64.64 ? 359 ARG A NE 1 ATOM 2129 C CZ . ARG A 1 313 ? 8.706 -55.821 -33.252 1.00 66.61 ? 359 ARG A CZ 1 ATOM 2130 N NH1 . ARG A 1 313 ? 9.753 -56.487 -33.728 1.00 69.02 ? 359 ARG A NH1 1 ATOM 2131 N NH2 . ARG A 1 313 ? 8.716 -55.367 -32.015 1.00 65.60 ? 359 ARG A NH2 1 ATOM 2132 N N . THR A 1 314 ? 5.190 -52.486 -35.124 1.00 44.08 ? 360 THR A N 1 ATOM 2133 C CA . THR A 1 314 ? 3.945 -52.505 -34.359 1.00 42.50 ? 360 THR A CA 1 ATOM 2134 C C . THR A 1 314 ? 2.982 -51.434 -34.855 1.00 39.24 ? 360 THR A C 1 ATOM 2135 O O . THR A 1 314 ? 1.773 -51.670 -34.957 1.00 37.49 ? 360 THR A O 1 ATOM 2136 C CB . THR A 1 314 ? 4.243 -52.295 -32.869 1.00 43.68 ? 360 THR A CB 1 ATOM 2137 O OG1 . THR A 1 314 ? 5.433 -53.003 -32.512 1.00 46.70 ? 360 THR A OG1 1 ATOM 2138 C CG2 . THR A 1 314 ? 3.120 -52.823 -32.026 1.00 43.31 ? 360 THR A CG2 1 ATOM 2139 N N . LEU A 1 315 ? 3.512 -50.250 -35.172 1.00 38.36 ? 361 LEU A N 1 ATOM 2140 C CA . LEU A 1 315 ? 2.686 -49.146 -35.643 1.00 37.53 ? 361 LEU A CA 1 ATOM 2141 C C . LEU A 1 315 ? 1.929 -49.513 -36.913 1.00 39.03 ? 361 LEU A C 1 ATOM 2142 O O . LEU A 1 315 ? 0.741 -49.197 -37.051 1.00 38.85 ? 361 LEU A O 1 ATOM 2143 C CB . LEU A 1 315 ? 3.570 -47.925 -35.884 1.00 36.69 ? 361 LEU A CB 1 ATOM 2144 C CG . LEU A 1 315 ? 2.865 -46.696 -36.427 1.00 35.12 ? 361 LEU A CG 1 ATOM 2145 C CD1 . LEU A 1 315 ? 2.105 -46.013 -35.304 1.00 32.62 ? 361 LEU A CD1 1 ATOM 2146 C CD2 . LEU A 1 315 ? 3.866 -45.764 -37.102 1.00 35.38 ? 361 LEU A CD2 1 ATOM 2147 N N . ARG A 1 316 ? 2.603 -50.174 -37.859 1.00 39.97 ? 362 ARG A N 1 ATOM 2148 C CA . ARG A 1 316 ? 1.950 -50.571 -39.101 1.00 40.55 ? 362 ARG A CA 1 ATOM 2149 C C . ARG A 1 316 ? 0.805 -51.541 -38.850 1.00 41.30 ? 362 ARG A C 1 ATOM 2150 O O . ARG A 1 316 ? -0.163 -51.577 -39.619 1.00 41.49 ? 362 ARG A O 1 ATOM 2151 C CB . ARG A 1 316 ? 2.969 -51.195 -40.050 1.00 40.76 ? 362 ARG A CB 1 ATOM 2152 C CG . ARG A 1 316 ? 3.816 -50.176 -40.769 1.00 41.89 ? 362 ARG A CG 1 ATOM 2153 C CD . ARG A 1 316 ? 4.791 -50.842 -41.734 1.00 45.46 ? 362 ARG A CD 1 ATOM 2154 N NE . ARG A 1 316 ? 6.139 -50.949 -41.188 1.00 47.89 ? 362 ARG A NE 1 ATOM 2155 C CZ . ARG A 1 316 ? 7.166 -50.195 -41.579 1.00 48.53 ? 362 ARG A CZ 1 ATOM 2156 N NH1 . ARG A 1 316 ? 6.997 -49.284 -42.534 1.00 48.60 ? 362 ARG A NH1 1 ATOM 2157 N NH2 . ARG A 1 316 ? 8.361 -50.358 -41.019 1.00 48.66 ? 362 ARG A NH2 1 ATOM 2158 N N . ILE A 1 317 ? 0.886 -52.319 -37.775 1.00 40.63 ? 363 ILE A N 1 ATOM 2159 C CA . ILE A 1 317 ? -0.128 -53.332 -37.521 1.00 39.63 ? 363 ILE A CA 1 ATOM 2160 C C . ILE A 1 317 ? -1.366 -52.715 -36.878 1.00 37.71 ? 363 ILE A C 1 ATOM 2161 O O . ILE A 1 317 ? -2.483 -52.863 -37.386 1.00 38.58 ? 363 ILE A O 1 ATOM 2162 C CB . ILE A 1 317 ? 0.469 -54.461 -36.663 1.00 39.73 ? 363 ILE A CB 1 ATOM 2163 C CG1 . ILE A 1 317 ? 1.442 -55.296 -37.509 1.00 41.41 ? 363 ILE A CG1 1 ATOM 2164 C CG2 . ILE A 1 317 ? -0.636 -55.319 -36.062 1.00 39.45 ? 363 ILE A CG2 1 ATOM 2165 C CD1 . ILE A 1 317 ? 2.232 -56.329 -36.718 1.00 41.75 ? 363 ILE A CD1 1 ATOM 2166 N N . GLY A 1 318 ? -1.198 -52.002 -35.770 1.00 35.41 ? 364 GLY A N 1 ATOM 2167 C CA . GLY A 1 318 ? -2.364 -51.543 -35.041 1.00 34.12 ? 364 GLY A CA 1 ATOM 2168 C C . GLY A 1 318 ? -2.288 -50.133 -34.501 1.00 33.77 ? 364 GLY A C 1 ATOM 2169 O O . GLY A 1 318 ? -3.115 -49.730 -33.674 1.00 33.67 ? 364 GLY A O 1 ATOM 2170 N N . GLY A 1 319 ? -1.300 -49.370 -34.961 1.00 33.64 ? 365 GLY A N 1 ATOM 2171 C CA . GLY A 1 319 ? -1.186 -47.989 -34.548 1.00 32.75 ? 365 GLY A CA 1 ATOM 2172 C C . GLY A 1 319 ? -0.713 -47.761 -33.131 1.00 31.55 ? 365 GLY A C 1 ATOM 2173 O O . GLY A 1 319 ? -0.985 -46.693 -32.573 1.00 30.56 ? 365 GLY A O 1 ATOM 2174 N N . PHE A 1 320 ? -0.008 -48.725 -32.530 1.00 31.45 ? 366 PHE A N 1 ATOM 2175 C CA . PHE A 1 320 ? 0.636 -48.554 -31.231 1.00 30.81 ? 366 PHE A CA 1 ATOM 2176 C C . PHE A 1 320 ? 2.077 -49.062 -31.304 1.00 31.50 ? 366 PHE A C 1 ATOM 2177 O O . PHE A 1 320 ? 2.454 -49.773 -32.240 1.00 32.99 ? 366 PHE A O 1 ATOM 2178 C CB . PHE A 1 320 ? -0.146 -49.275 -30.121 1.00 30.37 ? 366 PHE A CB 1 ATOM 2179 C CG . PHE A 1 320 ? -0.438 -50.724 -30.407 1.00 30.95 ? 366 PHE A CG 1 ATOM 2180 C CD1 . PHE A 1 320 ? 0.444 -51.716 -30.011 1.00 30.46 ? 366 PHE A CD1 1 ATOM 2181 C CD2 . PHE A 1 320 ? -1.622 -51.097 -31.041 1.00 31.47 ? 366 PHE A CD2 1 ATOM 2182 C CE1 . PHE A 1 320 ? 0.163 -53.050 -30.260 1.00 31.80 ? 366 PHE A CE1 1 ATOM 2183 C CE2 . PHE A 1 320 ? -1.909 -52.434 -31.295 1.00 31.32 ? 366 PHE A CE2 1 ATOM 2184 C CZ . PHE A 1 320 ? -1.016 -53.410 -30.906 1.00 31.83 ? 366 PHE A CZ 1 ATOM 2185 N N . TYR A 1 321 ? 2.896 -48.693 -30.314 1.00 30.05 ? 367 TYR A N 1 ATOM 2186 C CA . TYR A 1 321 ? 4.302 -49.103 -30.294 1.00 30.34 ? 367 TYR A CA 1 ATOM 2187 C C . TYR A 1 321 ? 4.885 -48.855 -28.906 1.00 28.89 ? 367 TYR A C 1 ATOM 2188 O O . TYR A 1 321 ? 4.305 -48.142 -28.081 1.00 28.55 ? 367 TYR A O 1 ATOM 2189 C CB . TYR A 1 321 ? 5.124 -48.358 -31.358 1.00 31.26 ? 367 TYR A CB 1 ATOM 2190 C CG . TYR A 1 321 ? 5.117 -46.861 -31.147 1.00 32.16 ? 367 TYR A CG 1 ATOM 2191 C CD1 . TYR A 1 321 ? 6.029 -46.258 -30.275 1.00 32.59 ? 367 TYR A CD1 1 ATOM 2192 C CD2 . TYR A 1 321 ? 4.185 -46.048 -31.794 1.00 31.65 ? 367 TYR A CD2 1 ATOM 2193 C CE1 . TYR A 1 321 ? 6.018 -44.887 -30.050 1.00 31.67 ? 367 TYR A CE1 1 ATOM 2194 C CE2 . TYR A 1 321 ? 4.170 -44.665 -31.582 1.00 31.35 ? 367 TYR A CE2 1 ATOM 2195 C CZ . TYR A 1 321 ? 5.095 -44.090 -30.704 1.00 30.50 ? 367 TYR A CZ 1 ATOM 2196 O OH . TYR A 1 321 ? 5.109 -42.729 -30.475 1.00 27.67 ? 367 TYR A OH 1 ATOM 2197 N N . ALA A 1 322 ? 6.067 -49.422 -28.671 1.00 28.88 ? 368 ALA A N 1 ATOM 2198 C CA . ALA A 1 322 ? 6.835 -49.135 -27.470 1.00 29.03 ? 368 ALA A CA 1 ATOM 2199 C C . ALA A 1 322 ? 8.270 -48.832 -27.874 1.00 32.39 ? 368 ALA A C 1 ATOM 2200 O O . ALA A 1 322 ? 8.739 -49.305 -28.910 1.00 33.19 ? 368 ALA A O 1 ATOM 2201 C CB . ALA A 1 322 ? 6.791 -50.301 -26.474 1.00 28.06 ? 368 ALA A CB 1 ATOM 2202 N N . LEU A 1 323 ? 8.963 -48.028 -27.059 1.00 32.27 ? 369 LEU A N 1 ATOM 2203 C CA . LEU A 1 323 ? 10.370 -47.720 -27.309 1.00 31.44 ? 369 LEU A CA 1 ATOM 2204 C C . LEU A 1 323 ? 11.019 -47.248 -26.010 1.00 30.35 ? 369 LEU A C 1 ATOM 2205 O O . LEU A 1 323 ? 10.355 -47.053 -24.986 1.00 28.75 ? 369 LEU A O 1 ATOM 2206 C CB . LEU A 1 323 ? 10.530 -46.681 -28.432 1.00 31.09 ? 369 LEU A CB 1 ATOM 2207 C CG . LEU A 1 323 ? 9.755 -45.349 -28.355 1.00 30.66 ? 369 LEU A CG 1 ATOM 2208 C CD1 . LEU A 1 323 ? 10.390 -44.321 -27.372 1.00 29.45 ? 369 LEU A CD1 1 ATOM 2209 C CD2 . LEU A 1 323 ? 9.572 -44.730 -29.758 1.00 30.52 ? 369 LEU A CD2 1 ATOM 2210 N N . SER A 1 324 ? 12.336 -47.054 -26.072 1.00 30.65 ? 370 SER A N 1 ATOM 2211 C CA . SER A 1 324 ? 13.116 -46.684 -24.897 1.00 30.77 ? 370 SER A CA 1 ATOM 2212 C C . SER A 1 324 ? 13.722 -45.303 -25.088 1.00 32.13 ? 370 SER A C 1 ATOM 2213 O O . SER A 1 324 ? 14.763 -45.167 -25.747 1.00 34.11 ? 370 SER A O 1 ATOM 2214 C CB . SER A 1 324 ? 14.212 -47.717 -24.631 1.00 31.02 ? 370 SER A CB 1 ATOM 2215 O OG . SER A 1 324 ? 13.641 -48.994 -24.427 1.00 31.41 ? 370 SER A OG 1 ATOM 2216 N N . PRO A 1 325 ? 13.106 -44.247 -24.556 1.00 31.02 ? 371 PRO A N 1 ATOM 2217 C CA . PRO A 1 325 ? 13.735 -42.916 -24.653 1.00 31.11 ? 371 PRO A CA 1 ATOM 2218 C C . PRO A 1 325 ? 15.088 -42.841 -23.957 1.00 32.78 ? 371 PRO A C 1 ATOM 2219 O O . PRO A 1 325 ? 16.023 -42.232 -24.486 1.00 33.50 ? 371 PRO A O 1 ATOM 2220 C CB . PRO A 1 325 ? 12.701 -41.995 -23.987 1.00 29.31 ? 371 PRO A CB 1 ATOM 2221 C CG . PRO A 1 325 ? 11.412 -42.751 -24.033 1.00 28.31 ? 371 PRO A CG 1 ATOM 2222 C CD . PRO A 1 325 ? 11.762 -44.202 -23.956 1.00 28.74 ? 371 PRO A CD 1 ATOM 2223 N N . TYR A 1 326 ? 15.210 -43.444 -22.781 1.00 33.43 ? 372 TYR A N 1 ATOM 2224 C CA . TYR A 1 326 ? 16.389 -43.416 -21.932 1.00 35.07 ? 372 TYR A CA 1 ATOM 2225 C C . TYR A 1 326 ? 16.673 -44.825 -21.451 1.00 35.89 ? 372 TYR A C 1 ATOM 2226 O O . TYR A 1 326 ? 15.774 -45.671 -21.426 1.00 36.07 ? 372 TYR A O 1 ATOM 2227 C CB . TYR A 1 326 ? 16.200 -42.544 -20.681 1.00 34.60 ? 372 TYR A CB 1 ATOM 2228 C CG . TYR A 1 326 ? 15.900 -41.092 -20.872 1.00 34.41 ? 372 TYR A CG 1 ATOM 2229 C CD1 . TYR A 1 326 ? 16.777 -40.266 -21.563 1.00 35.58 ? 372 TYR A CD1 1 ATOM 2230 C CD2 . TYR A 1 326 ? 14.763 -40.527 -20.293 1.00 33.93 ? 372 TYR A CD2 1 ATOM 2231 C CE1 . TYR A 1 326 ? 16.517 -38.914 -21.702 1.00 36.68 ? 372 TYR A CE1 1 ATOM 2232 C CE2 . TYR A 1 326 ? 14.484 -39.182 -20.431 1.00 34.76 ? 372 TYR A CE2 1 ATOM 2233 C CZ . TYR A 1 326 ? 15.368 -38.377 -21.135 1.00 36.64 ? 372 TYR A CZ 1 ATOM 2234 O OH . TYR A 1 326 ? 15.108 -37.035 -21.275 1.00 37.71 ? 372 TYR A OH 1 ATOM 2235 N N . PRO A 1 327 ? 17.897 -45.096 -21.012 1.00 37.35 ? 373 PRO A N 1 ATOM 2236 C CA . PRO A 1 327 ? 18.140 -46.330 -20.248 1.00 38.21 ? 373 PRO A CA 1 ATOM 2237 C C . PRO A 1 327 ? 17.221 -46.388 -19.037 1.00 37.26 ? 373 PRO A C 1 ATOM 2238 O O . PRO A 1 327 ? 17.106 -45.422 -18.282 1.00 37.69 ? 373 PRO A O 1 ATOM 2239 C CB . PRO A 1 327 ? 19.614 -46.210 -19.835 1.00 39.02 ? 373 PRO A CB 1 ATOM 2240 C CG . PRO A 1 327 ? 20.224 -45.274 -20.848 1.00 39.53 ? 373 PRO A CG 1 ATOM 2241 C CD . PRO A 1 327 ? 19.133 -44.332 -21.277 1.00 38.23 ? 373 PRO A CD 1 ATOM 2242 N N . GLY A 1 328 ? 16.537 -47.516 -18.868 1.00 36.68 ? 374 GLY A N 1 ATOM 2243 C CA . GLY A 1 328 ? 15.653 -47.660 -17.726 1.00 35.36 ? 374 GLY A CA 1 ATOM 2244 C C . GLY A 1 328 ? 14.309 -46.971 -17.847 1.00 33.97 ? 374 GLY A C 1 ATOM 2245 O O . GLY A 1 328 ? 13.578 -46.905 -16.851 1.00 33.08 ? 374 GLY A O 1 ATOM 2246 N N . LEU A 1 329 ? 13.956 -46.462 -19.032 1.00 32.94 ? 375 LEU A N 1 ATOM 2247 C CA . LEU A 1 329 ? 12.649 -45.865 -19.288 1.00 30.57 ? 375 LEU A CA 1 ATOM 2248 C C . LEU A 1 329 ? 12.059 -46.457 -20.563 1.00 31.23 ? 375 LEU A C 1 ATOM 2249 O O . LEU A 1 329 ? 12.686 -46.388 -21.629 1.00 31.81 ? 375 LEU A O 1 ATOM 2250 C CB . LEU A 1 329 ? 12.748 -44.341 -19.409 1.00 28.18 ? 375 LEU A CB 1 ATOM 2251 C CG . LEU A 1 329 ? 11.439 -43.656 -19.831 1.00 26.16 ? 375 LEU A CG 1 ATOM 2252 C CD1 . LEU A 1 329 ? 10.332 -43.913 -18.798 1.00 24.10 ? 375 LEU A CD1 1 ATOM 2253 C CD2 . LEU A 1 329 ? 11.644 -42.158 -20.045 1.00 26.36 ? 375 LEU A CD2 1 ATOM 2254 N N . ARG A 1 330 ? 10.864 -47.045 -20.447 1.00 29.74 ? 376 ARG A N 1 ATOM 2255 C CA . ARG A 1 330 ? 10.067 -47.472 -21.590 1.00 29.86 ? 376 ARG A CA 1 ATOM 2256 C C . ARG A 1 330 ? 8.943 -46.477 -21.817 1.00 27.57 ? 376 ARG A C 1 ATOM 2257 O O . ARG A 1 330 ? 8.267 -46.069 -20.871 1.00 26.14 ? 376 ARG A O 1 ATOM 2258 C CB . ARG A 1 330 ? 9.445 -48.861 -21.379 1.00 31.55 ? 376 ARG A CB 1 ATOM 2259 C CG . ARG A 1 330 ? 10.199 -50.043 -21.949 1.00 34.26 ? 376 ARG A CG 1 ATOM 2260 C CD . ARG A 1 330 ? 10.638 -49.817 -23.379 1.00 35.72 ? 376 ARG A CD 1 ATOM 2261 N NE . ARG A 1 330 ? 10.058 -50.770 -24.328 1.00 36.37 ? 376 ARG A NE 1 ATOM 2262 C CZ . ARG A 1 330 ? 10.607 -51.059 -25.509 1.00 36.93 ? 376 ARG A CZ 1 ATOM 2263 N NH1 . ARG A 1 330 ? 11.751 -50.488 -25.868 1.00 35.98 ? 376 ARG A NH1 1 ATOM 2264 N NH2 . ARG A 1 330 ? 10.019 -51.922 -26.329 1.00 38.38 ? 376 ARG A NH2 1 ATOM 2265 N N . LEU A 1 331 ? 8.732 -46.100 -23.069 1.00 27.67 ? 377 LEU A N 1 ATOM 2266 C CA . LEU A 1 331 ? 7.547 -45.351 -23.451 1.00 27.85 ? 377 LEU A CA 1 ATOM 2267 C C . LEU A 1 331 ? 6.633 -46.243 -24.277 1.00 28.76 ? 377 LEU A C 1 ATOM 2268 O O . LEU A 1 331 ? 7.091 -46.968 -25.164 1.00 30.46 ? 377 LEU A O 1 ATOM 2269 C CB . LEU A 1 331 ? 7.903 -44.085 -24.232 1.00 28.14 ? 377 LEU A CB 1 ATOM 2270 C CG . LEU A 1 331 ? 6.625 -43.316 -24.571 1.00 27.28 ? 377 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 331 ? 6.694 -41.887 -24.130 1.00 26.74 ? 377 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 331 ? 6.380 -43.401 -26.065 1.00 27.83 ? 377 LEU A CD2 1 ATOM 2273 N N . ILE A 1 332 ? 5.339 -46.202 -23.976 1.00 27.77 ? 378 ILE A N 1 ATOM 2274 C CA . ILE A 1 332 ? 4.355 -47.011 -24.680 1.00 26.79 ? 378 ILE A CA 1 ATOM 2275 C C . ILE A 1 332 ? 3.287 -46.075 -25.218 1.00 25.15 ? 378 ILE A C 1 ATOM 2276 O O . ILE A 1 332 ? 2.678 -45.316 -24.456 1.00 24.26 ? 378 ILE A O 1 ATOM 2277 C CB . ILE A 1 332 ? 3.754 -48.097 -23.772 1.00 26.07 ? 378 ILE A CB 1 ATOM 2278 C CG1 . ILE A 1 332 ? 4.893 -48.973 -23.241 1.00 26.44 ? 378 ILE A CG1 1 ATOM 2279 C CG2 . ILE A 1 332 ? 2.698 -48.926 -24.521 1.00 25.02 ? 378 ILE A CG2 1 ATOM 2280 C CD1 . ILE A 1 332 ? 4.472 -49.958 -22.207 1.00 27.14 ? 378 ILE A CD1 1 ATOM 2281 N N . SER A 1 333 ? 3.095 -46.095 -26.528 1.00 25.58 ? 379 SER A N 1 ATOM 2282 C CA . SER A 1 333 ? 2.088 -45.278 -27.194 1.00 25.55 ? 379 SER A CA 1 ATOM 2283 C C . SER A 1 333 ? 0.908 -46.184 -27.514 1.00 24.91 ? 379 SER A C 1 ATOM 2284 O O . SER A 1 333 ? 1.035 -47.105 -28.320 1.00 25.75 ? 379 SER A O 1 ATOM 2285 C CB . SER A 1 333 ? 2.656 -44.637 -28.460 1.00 26.48 ? 379 SER A CB 1 ATOM 2286 O OG . SER A 1 333 ? 1.677 -43.886 -29.160 1.00 26.61 ? 379 SER A OG 1 ATOM 2287 N N . LEU A 1 334 ? -0.228 -45.935 -26.872 1.00 24.33 ? 380 LEU A N 1 ATOM 2288 C CA . LEU A 1 334 ? -1.423 -46.745 -27.061 1.00 24.09 ? 380 LEU A CA 1 ATOM 2289 C C . LEU A 1 334 ? -2.343 -46.111 -28.099 1.00 25.45 ? 380 LEU A C 1 ATOM 2290 O O . LEU A 1 334 ? -2.510 -44.887 -28.138 1.00 25.21 ? 380 LEU A O 1 ATOM 2291 C CB . LEU A 1 334 ? -2.179 -46.923 -25.741 1.00 21.91 ? 380 LEU A CB 1 ATOM 2292 C CG . LEU A 1 334 ? -1.500 -47.727 -24.631 1.00 20.79 ? 380 LEU A CG 1 ATOM 2293 C CD1 . LEU A 1 334 ? -2.365 -47.789 -23.372 1.00 19.96 ? 380 LEU A CD1 1 ATOM 2294 C CD2 . LEU A 1 334 ? -1.125 -49.133 -25.122 1.00 21.45 ? 380 LEU A CD2 1 ATOM 2295 N N . ASN A 1 335 ? -2.936 -46.953 -28.940 1.00 26.46 ? 381 ASN A N 1 ATOM 2296 C CA . ASN A 1 335 ? -3.972 -46.516 -29.871 1.00 26.93 ? 381 ASN A CA 1 ATOM 2297 C C . ASN A 1 335 ? -5.313 -46.718 -29.180 1.00 28.02 ? 381 ASN A C 1 ATOM 2298 O O . ASN A 1 335 ? -5.901 -47.802 -29.212 1.00 30.01 ? 381 ASN A O 1 ATOM 2299 C CB . ASN A 1 335 ? -3.864 -47.277 -31.186 1.00 27.40 ? 381 ASN A CB 1 ATOM 2300 C CG . ASN A 1 335 ? -4.928 -46.879 -32.188 1.00 28.94 ? 381 ASN A CG 1 ATOM 2301 O OD1 . ASN A 1 335 ? -5.160 -47.592 -33.155 1.00 30.97 ? 381 ASN A OD1 1 ATOM 2302 N ND2 . ASN A 1 335 ? -5.604 -45.767 -31.943 1.00 28.72 ? 381 ASN A ND2 1 ATOM 2303 N N . MET A 1 336 ? -5.807 -45.652 -28.544 1.00 25.88 ? 382 MET A N 1 ATOM 2304 C CA . MET A 1 336 ? -7.011 -45.771 -27.726 1.00 24.46 ? 382 MET A CA 1 ATOM 2305 C C . MET A 1 336 ? -8.291 -45.909 -28.539 1.00 24.66 ? 382 MET A C 1 ATOM 2306 O O . MET A 1 336 ? -9.353 -46.067 -27.931 1.00 23.71 ? 382 MET A O 1 ATOM 2307 C CB . MET A 1 336 ? -7.119 -44.586 -26.759 1.00 22.85 ? 382 MET A CB 1 ATOM 2308 C CG . MET A 1 336 ? -5.848 -44.369 -25.985 1.00 21.99 ? 382 MET A CG 1 ATOM 2309 S SD . MET A 1 336 ? -5.553 -45.638 -24.731 1.00 22.28 ? 382 MET A SD 1 ATOM 2310 C CE . MET A 1 336 ? -6.959 -45.434 -23.618 1.00 20.54 ? 382 MET A CE 1 ATOM 2311 N N . ASN A 1 337 ? -8.222 -45.895 -29.873 1.00 26.34 ? 383 ASN A N 1 ATOM 2312 C CA . ASN A 1 337 ? -9.418 -46.115 -30.687 1.00 28.45 ? 383 ASN A CA 1 ATOM 2313 C C . ASN A 1 337 ? -9.946 -47.538 -30.569 1.00 30.01 ? 383 ASN A C 1 ATOM 2314 O O . ASN A 1 337 ? -11.104 -47.790 -30.921 1.00 31.65 ? 383 ASN A O 1 ATOM 2315 C CB . ASN A 1 337 ? -9.124 -45.787 -32.150 1.00 28.23 ? 383 ASN A CB 1 ATOM 2316 C CG . ASN A 1 337 ? -8.767 -44.332 -32.342 1.00 28.06 ? 383 ASN A CG 1 ATOM 2317 O OD1 . ASN A 1 337 ? -9.518 -43.449 -31.922 1.00 28.73 ? 383 ASN A OD1 1 ATOM 2318 N ND2 . ASN A 1 337 ? -7.607 -44.067 -32.941 1.00 27.55 ? 383 ASN A ND2 1 ATOM 2319 N N . PHE A 1 338 ? -9.122 -48.469 -30.098 1.00 29.56 ? 384 PHE A N 1 ATOM 2320 C CA . PHE A 1 338 ? -9.569 -49.811 -29.770 1.00 30.16 ? 384 PHE A CA 1 ATOM 2321 C C . PHE A 1 338 ? -10.273 -49.880 -28.427 1.00 29.55 ? 384 PHE A C 1 ATOM 2322 O O . PHE A 1 338 ? -10.801 -50.941 -28.074 1.00 29.47 ? 384 PHE A O 1 ATOM 2323 C CB . PHE A 1 338 ? -8.375 -50.759 -29.804 1.00 31.00 ? 384 PHE A CB 1 ATOM 2324 C CG . PHE A 1 338 ? -7.770 -50.886 -31.166 1.00 31.60 ? 384 PHE A CG 1 ATOM 2325 C CD1 . PHE A 1 338 ? -8.589 -50.909 -32.291 1.00 32.67 ? 384 PHE A CD1 1 ATOM 2326 C CD2 . PHE A 1 338 ? -6.400 -50.952 -31.336 1.00 30.82 ? 384 PHE A CD2 1 ATOM 2327 C CE1 . PHE A 1 338 ? -8.049 -51.013 -33.563 1.00 33.25 ? 384 PHE A CE1 1 ATOM 2328 C CE2 . PHE A 1 338 ? -5.854 -51.059 -32.606 1.00 31.85 ? 384 PHE A CE2 1 ATOM 2329 C CZ . PHE A 1 338 ? -6.679 -51.093 -33.720 1.00 32.65 ? 384 PHE A CZ 1 ATOM 2330 N N . CYS A 1 339 ? -10.298 -48.773 -27.682 1.00 29.30 ? 385 CYS A N 1 ATOM 2331 C CA . CYS A 1 339 ? -11.077 -48.643 -26.459 1.00 28.63 ? 385 CYS A CA 1 ATOM 2332 C C . CYS A 1 339 ? -12.318 -47.790 -26.659 1.00 27.33 ? 385 CYS A C 1 ATOM 2333 O O . CYS A 1 339 ? -13.181 -47.768 -25.779 1.00 26.62 ? 385 CYS A O 1 ATOM 2334 C CB . CYS A 1 339 ? -10.218 -48.032 -25.330 1.00 28.22 ? 385 CYS A CB 1 ATOM 2335 S SG . CYS A 1 339 ? -10.436 -46.219 -25.042 1.00 27.73 ? 385 CYS A SG 1 ATOM 2336 N N . SER A 1 340 ? -12.436 -47.127 -27.808 1.00 28.81 ? 386 SER A N 1 ATOM 2337 C CA . SER A 1 340 ? -13.380 -46.030 -27.971 1.00 31.50 ? 386 SER A CA 1 ATOM 2338 C C . SER A 1 340 ? -14.817 -46.526 -28.069 1.00 36.06 ? 386 SER A C 1 ATOM 2339 O O . SER A 1 340 ? -15.108 -47.516 -28.746 1.00 37.10 ? 386 SER A O 1 ATOM 2340 C CB . SER A 1 340 ? -13.027 -45.220 -29.219 1.00 30.36 ? 386 SER A CB 1 ATOM 2341 O OG . SER A 1 340 ? -14.055 -44.299 -29.544 1.00 30.69 ? 386 SER A OG 1 ATOM 2342 N N . ARG A 1 341 ? -15.718 -45.812 -27.382 1.00 38.40 ? 387 ARG A N 1 ATOM 2343 C CA . ARG A 1 341 ? -17.154 -46.017 -27.524 1.00 40.78 ? 387 ARG A CA 1 ATOM 2344 C C . ARG A 1 341 ? -17.670 -45.651 -28.910 1.00 39.37 ? 387 ARG A C 1 ATOM 2345 O O . ARG A 1 341 ? -18.790 -46.030 -29.259 1.00 38.91 ? 387 ARG A O 1 ATOM 2346 C CB . ARG A 1 341 ? -17.909 -45.188 -26.486 1.00 44.51 ? 387 ARG A CB 1 ATOM 2347 C CG . ARG A 1 341 ? -17.412 -45.351 -25.060 1.00 48.21 ? 387 ARG A CG 1 ATOM 2348 C CD . ARG A 1 341 ? -18.384 -44.694 -24.091 1.00 52.92 ? 387 ARG A CD 1 ATOM 2349 N NE . ARG A 1 341 ? -17.807 -44.428 -22.773 1.00 55.97 ? 387 ARG A NE 1 ATOM 2350 C CZ . ARG A 1 341 ? -18.002 -45.179 -21.687 1.00 58.35 ? 387 ARG A CZ 1 ATOM 2351 N NH1 . ARG A 1 341 ? -18.763 -46.271 -21.741 1.00 59.14 ? 387 ARG A NH1 1 ATOM 2352 N NH2 . ARG A 1 341 ? -17.435 -44.830 -20.536 1.00 58.62 ? 387 ARG A NH2 1 ATOM 2353 N N . GLU A 1 342 ? -16.900 -44.914 -29.700 1.00 39.22 ? 388 GLU A N 1 ATOM 2354 C CA . GLU A 1 342 ? -17.372 -44.469 -30.999 1.00 40.70 ? 388 GLU A CA 1 ATOM 2355 C C . GLU A 1 342 ? -16.774 -45.257 -32.154 1.00 38.08 ? 388 GLU A C 1 ATOM 2356 O O . GLU A 1 342 ? -17.186 -45.059 -33.303 1.00 39.15 ? 388 GLU A O 1 ATOM 2357 C CB . GLU A 1 342 ? -17.094 -42.978 -31.165 1.00 45.30 ? 388 GLU A CB 1 ATOM 2358 C CG . GLU A 1 342 ? -17.672 -42.157 -30.031 1.00 51.19 ? 388 GLU A CG 1 ATOM 2359 C CD . GLU A 1 342 ? -17.878 -40.713 -30.419 1.00 57.52 ? 388 GLU A CD 1 ATOM 2360 O OE1 . GLU A 1 342 ? -16.866 -40.012 -30.638 1.00 59.19 ? 388 GLU A OE1 1 ATOM 2361 O OE2 . GLU A 1 342 ? -19.051 -40.286 -30.524 1.00 60.52 ? 388 GLU A OE2 1 ATOM 2362 N N . ASN A 1 343 ? -15.838 -46.162 -31.880 1.00 34.25 ? 389 ASN A N 1 ATOM 2363 C CA . ASN A 1 343 ? -15.289 -47.018 -32.926 1.00 32.21 ? 389 ASN A CA 1 ATOM 2364 C C . ASN A 1 343 ? -16.325 -48.089 -33.247 1.00 32.08 ? 389 ASN A C 1 ATOM 2365 O O . ASN A 1 343 ? -16.346 -49.170 -32.649 1.00 31.06 ? 389 ASN A O 1 ATOM 2366 C CB . ASN A 1 343 ? -13.968 -47.627 -32.483 1.00 30.72 ? 389 ASN A CB 1 ATOM 2367 C CG . ASN A 1 343 ? -13.282 -48.394 -33.595 1.00 30.42 ? 389 ASN A CG 1 ATOM 2368 O OD1 . ASN A 1 343 ? -13.818 -48.527 -34.703 1.00 30.76 ? 389 ASN A OD1 1 ATOM 2369 N ND2 . ASN A 1 343 ? -12.070 -48.867 -33.317 1.00 28.65 ? 389 ASN A ND2 1 ATOM 2370 N N . PHE A 1 344 ? -17.199 -47.782 -34.213 1.00 32.07 ? 390 PHE A N 1 ATOM 2371 C CA . PHE A 1 344 ? -18.323 -48.666 -34.507 1.00 31.64 ? 390 PHE A CA 1 ATOM 2372 C C . PHE A 1 344 ? -17.876 -50.043 -34.983 1.00 31.68 ? 390 PHE A C 1 ATOM 2373 O O . PHE A 1 344 ? -18.653 -50.997 -34.869 1.00 32.99 ? 390 PHE A O 1 ATOM 2374 C CB . PHE A 1 344 ? -19.263 -48.021 -35.534 1.00 31.79 ? 390 PHE A CB 1 ATOM 2375 C CG . PHE A 1 344 ? -18.591 -47.604 -36.803 1.00 31.53 ? 390 PHE A CG 1 ATOM 2376 C CD1 . PHE A 1 344 ? -17.965 -46.365 -36.903 1.00 31.51 ? 390 PHE A CD1 1 ATOM 2377 C CD2 . PHE A 1 344 ? -18.591 -48.444 -37.905 1.00 32.06 ? 390 PHE A CD2 1 ATOM 2378 C CE1 . PHE A 1 344 ? -17.341 -45.970 -38.087 1.00 31.57 ? 390 PHE A CE1 1 ATOM 2379 C CE2 . PHE A 1 344 ? -17.978 -48.061 -39.091 1.00 32.65 ? 390 PHE A CE2 1 ATOM 2380 C CZ . PHE A 1 344 ? -17.353 -46.820 -39.182 1.00 32.19 ? 390 PHE A CZ 1 ATOM 2381 N N . TRP A 1 345 ? -16.637 -50.177 -35.478 1.00 30.93 ? 391 TRP A N 1 ATOM 2382 C CA . TRP A 1 345 ? -16.130 -51.495 -35.864 1.00 30.91 ? 391 TRP A CA 1 ATOM 2383 C C . TRP A 1 345 ? -16.113 -52.456 -34.686 1.00 30.63 ? 391 TRP A C 1 ATOM 2384 O O . TRP A 1 345 ? -16.272 -53.668 -34.876 1.00 32.55 ? 391 TRP A O 1 ATOM 2385 C CB . TRP A 1 345 ? -14.727 -51.397 -36.475 1.00 30.38 ? 391 TRP A CB 1 ATOM 2386 C CG . TRP A 1 345 ? -14.708 -50.627 -37.740 1.00 32.78 ? 391 TRP A CG 1 ATOM 2387 C CD1 . TRP A 1 345 ? -14.550 -49.276 -37.876 1.00 33.45 ? 391 TRP A CD1 1 ATOM 2388 C CD2 . TRP A 1 345 ? -14.900 -51.142 -39.065 1.00 34.43 ? 391 TRP A CD2 1 ATOM 2389 N NE1 . TRP A 1 345 ? -14.608 -48.922 -39.194 1.00 34.69 ? 391 TRP A NE1 1 ATOM 2390 C CE2 . TRP A 1 345 ? -14.828 -50.045 -39.947 1.00 35.23 ? 391 TRP A CE2 1 ATOM 2391 C CE3 . TRP A 1 345 ? -15.106 -52.428 -39.593 1.00 35.75 ? 391 TRP A CE3 1 ATOM 2392 C CZ2 . TRP A 1 345 ? -14.963 -50.187 -41.317 1.00 37.07 ? 391 TRP A CZ2 1 ATOM 2393 C CZ3 . TRP A 1 345 ? -15.245 -52.569 -40.953 1.00 37.18 ? 391 TRP A CZ3 1 ATOM 2394 C CH2 . TRP A 1 345 ? -15.177 -51.449 -41.804 1.00 37.71 ? 391 TRP A CH2 1 ATOM 2395 N N . LEU A 1 346 ? -15.968 -51.944 -33.465 1.00 28.81 ? 392 LEU A N 1 ATOM 2396 C CA . LEU A 1 346 ? -15.935 -52.825 -32.307 1.00 29.43 ? 392 LEU A CA 1 ATOM 2397 C C . LEU A 1 346 ? -17.270 -53.540 -32.061 1.00 32.38 ? 392 LEU A C 1 ATOM 2398 O O . LEU A 1 346 ? -17.305 -54.496 -31.278 1.00 34.05 ? 392 LEU A O 1 ATOM 2399 C CB . LEU A 1 346 ? -15.483 -52.018 -31.086 1.00 27.82 ? 392 LEU A CB 1 ATOM 2400 C CG . LEU A 1 346 ? -14.153 -51.291 -31.329 1.00 26.73 ? 392 LEU A CG 1 ATOM 2401 C CD1 . LEU A 1 346 ? -13.594 -50.688 -30.041 1.00 25.90 ? 392 LEU A CD1 1 ATOM 2402 C CD2 . LEU A 1 346 ? -13.121 -52.211 -31.980 1.00 26.19 ? 392 LEU A CD2 1 ATOM 2403 N N . LEU A 1 347 ? -18.359 -53.138 -32.728 1.00 33.39 ? 393 LEU A N 1 ATOM 2404 C CA . LEU A 1 347 ? -19.591 -53.923 -32.652 1.00 34.22 ? 393 LEU A CA 1 ATOM 2405 C C . LEU A 1 347 ? -19.382 -55.347 -33.147 1.00 36.12 ? 393 LEU A C 1 ATOM 2406 O O . LEU A 1 347 ? -20.069 -56.272 -32.694 1.00 36.33 ? 393 LEU A O 1 ATOM 2407 C CB . LEU A 1 347 ? -20.707 -53.261 -33.460 1.00 33.81 ? 393 LEU A CB 1 ATOM 2408 C CG . LEU A 1 347 ? -21.382 -52.020 -32.892 1.00 32.55 ? 393 LEU A CG 1 ATOM 2409 C CD1 . LEU A 1 347 ? -21.963 -51.254 -34.039 1.00 32.51 ? 393 LEU A CD1 1 ATOM 2410 C CD2 . LEU A 1 347 ? -22.475 -52.383 -31.898 1.00 33.28 ? 393 LEU A CD2 1 ATOM 2411 N N . ILE A 1 348 ? -18.458 -55.539 -34.091 1.00 37.66 ? 394 ILE A N 1 ATOM 2412 C CA . ILE A 1 348 ? -18.108 -56.883 -34.540 1.00 39.38 ? 394 ILE A CA 1 ATOM 2413 C C . ILE A 1 348 ? -17.442 -57.659 -33.411 1.00 42.36 ? 394 ILE A C 1 ATOM 2414 O O . ILE A 1 348 ? -17.800 -58.807 -33.124 1.00 43.31 ? 394 ILE A O 1 ATOM 2415 C CB . ILE A 1 348 ? -17.197 -56.809 -35.777 1.00 37.44 ? 394 ILE A CB 1 ATOM 2416 C CG1 . ILE A 1 348 ? -17.890 -56.047 -36.913 1.00 37.62 ? 394 ILE A CG1 1 ATOM 2417 C CG2 . ILE A 1 348 ? -16.762 -58.204 -36.185 1.00 37.71 ? 394 ILE A CG2 1 ATOM 2418 C CD1 . ILE A 1 348 ? -17.027 -55.845 -38.152 1.00 32.40 ? 394 ILE A CD1 1 ATOM 2419 N N . ASN A 1 349 ? -16.458 -57.042 -32.756 1.00 44.80 ? 395 ASN A N 1 ATOM 2420 C CA . ASN A 1 349 ? -15.746 -57.696 -31.662 1.00 47.58 ? 395 ASN A CA 1 ATOM 2421 C C . ASN A 1 349 ? -14.993 -56.627 -30.881 1.00 43.24 ? 395 ASN A C 1 ATOM 2422 O O . ASN A 1 349 ? -14.027 -56.049 -31.391 1.00 41.82 ? 395 ASN A O 1 ATOM 2423 C CB . ASN A 1 349 ? -14.793 -58.754 -32.188 1.00 54.61 ? 395 ASN A CB 1 ATOM 2424 C CG . ASN A 1 349 ? -14.290 -59.667 -31.102 1.00 62.10 ? 395 ASN A CG 1 ATOM 2425 O OD1 . ASN A 1 349 ? -14.386 -59.359 -29.913 1.00 60.79 ? 395 ASN A OD1 1 ATOM 2426 N ND2 . ASN A 1 349 ? -13.735 -60.796 -31.504 1.00 71.78 ? 395 ASN A ND2 1 ATOM 2427 N N . SER A 1 350 ? -15.420 -56.394 -29.645 1.00 39.96 ? 396 SER A N 1 ATOM 2428 C CA . SER A 1 350 ? -14.816 -55.403 -28.776 1.00 35.80 ? 396 SER A CA 1 ATOM 2429 C C . SER A 1 350 ? -13.735 -55.990 -27.879 1.00 34.76 ? 396 SER A C 1 ATOM 2430 O O . SER A 1 350 ? -13.105 -55.244 -27.120 1.00 33.39 ? 396 SER A O 1 ATOM 2431 C CB . SER A 1 350 ? -15.894 -54.758 -27.910 1.00 34.94 ? 396 SER A CB 1 ATOM 2432 O OG . SER A 1 350 ? -16.472 -55.726 -27.042 1.00 35.51 ? 396 SER A OG 1 ATOM 2433 N N . THR A 1 351 ? -13.511 -57.298 -27.945 1.00 35.17 ? 397 THR A N 1 ATOM 2434 C CA . THR A 1 351 ? -12.580 -57.959 -27.039 1.00 34.20 ? 397 THR A CA 1 ATOM 2435 C C . THR A 1 351 ? -11.138 -57.621 -27.402 1.00 35.18 ? 397 THR A C 1 ATOM 2436 O O . THR A 1 351 ? -10.676 -57.997 -28.482 1.00 36.89 ? 397 THR A O 1 ATOM 2437 C CB . THR A 1 351 ? -12.796 -59.464 -27.088 1.00 32.43 ? 397 THR A CB 1 ATOM 2438 O OG1 . THR A 1 351 ? -14.115 -59.770 -26.632 1.00 32.87 ? 397 THR A OG1 1 ATOM 2439 C CG2 . THR A 1 351 ? -11.777 -60.161 -26.228 1.00 30.15 ? 397 THR A CG2 1 ATOM 2440 N N . ASP A 1 352 ? -10.426 -56.931 -26.478 1.00 33.19 ? 398 ASP A N 1 ATOM 2441 C CA . ASP A 1 352 ? -9.045 -56.462 -26.606 1.00 32.62 ? 398 ASP A CA 1 ATOM 2442 C C . ASP A 1 352 ? -8.601 -56.340 -28.061 1.00 33.41 ? 398 ASP A C 1 ATOM 2443 O O . ASP A 1 352 ? -7.724 -57.090 -28.507 1.00 33.93 ? 398 ASP A O 1 ATOM 2444 C CB . ASP A 1 352 ? -8.084 -57.389 -25.850 1.00 31.73 ? 398 ASP A CB 1 ATOM 2445 C CG . ASP A 1 352 ? -6.669 -56.835 -25.783 1.00 29.71 ? 398 ASP A CG 1 ATOM 2446 O OD1 . ASP A 1 352 ? -6.490 -55.614 -26.011 1.00 28.93 ? 398 ASP A OD1 1 ATOM 2447 O OD2 . ASP A 1 352 ? -5.730 -57.618 -25.509 1.00 29.16 ? 398 ASP A OD2 1 ATOM 2448 N N . PRO A 1 353 ? -9.182 -55.421 -28.829 1.00 33.03 ? 399 PRO A N 1 ATOM 2449 C CA . PRO A 1 353 ? -8.852 -55.344 -30.259 1.00 33.05 ? 399 PRO A CA 1 ATOM 2450 C C . PRO A 1 353 ? -7.352 -55.161 -30.474 1.00 33.00 ? 399 PRO A C 1 ATOM 2451 O O . PRO A 1 353 ? -6.680 -54.443 -29.727 1.00 32.99 ? 399 PRO A O 1 ATOM 2452 C CB . PRO A 1 353 ? -9.655 -54.127 -30.739 1.00 32.59 ? 399 PRO A CB 1 ATOM 2453 C CG . PRO A 1 353 ? -10.774 -53.968 -29.699 1.00 32.61 ? 399 PRO A CG 1 ATOM 2454 C CD . PRO A 1 353 ? -10.116 -54.358 -28.409 1.00 32.12 ? 399 PRO A CD 1 ATOM 2455 N N . ALA A 1 354 ? -6.825 -55.860 -31.486 1.00 33.07 ? 400 ALA A N 1 ATOM 2456 C CA . ALA A 1 354 ? -5.404 -55.945 -31.830 1.00 32.68 ? 400 ALA A CA 1 ATOM 2457 C C . ALA A 1 354 ? -4.557 -56.607 -30.752 1.00 31.99 ? 400 ALA A C 1 ATOM 2458 O O . ALA A 1 354 ? -3.324 -56.615 -30.868 1.00 31.97 ? 400 ALA A O 1 ATOM 2459 C CB . ALA A 1 354 ? -4.797 -54.575 -32.154 1.00 32.42 ? 400 ALA A CB 1 ATOM 2460 N N . GLY A 1 355 ? -5.170 -57.171 -29.714 1.00 31.11 ? 401 GLY A N 1 ATOM 2461 C CA . GLY A 1 355 ? -4.398 -57.720 -28.614 1.00 30.47 ? 401 GLY A CA 1 ATOM 2462 C C . GLY A 1 355 ? -3.538 -56.693 -27.910 1.00 30.24 ? 401 GLY A C 1 ATOM 2463 O O . GLY A 1 355 ? -2.516 -57.053 -27.314 1.00 31.19 ? 401 GLY A O 1 ATOM 2464 N N . GLN A 1 356 ? -3.900 -55.432 -27.989 1.00 28.50 ? 402 GLN A N 1 ATOM 2465 C CA . GLN A 1 356 ? -3.130 -54.358 -27.410 1.00 27.37 ? 402 GLN A CA 1 ATOM 2466 C C . GLN A 1 356 ? -2.933 -54.368 -25.896 1.00 27.29 ? 402 GLN A C 1 ATOM 2467 O O . GLN A 1 356 ? -1.876 -54.066 -25.442 1.00 26.78 ? 402 GLN A O 1 ATOM 2468 C CB . GLN A 1 356 ? -3.701 -53.032 -27.870 1.00 26.68 ? 402 GLN A CB 1 ATOM 2469 C CG . GLN A 1 356 ? -2.775 -51.858 -27.686 1.00 26.61 ? 402 GLN A CG 1 ATOM 2470 C CD . GLN A 1 356 ? -3.421 -50.542 -27.959 1.00 26.29 ? 402 GLN A CD 1 ATOM 2471 O OE1 . GLN A 1 356 ? -2.768 -49.554 -28.067 1.00 26.94 ? 402 GLN A OE1 1 ATOM 2472 N NE2 . GLN A 1 356 ? -4.697 -50.537 -28.079 1.00 25.95 ? 402 GLN A NE2 1 ATOM 2473 N N . LEU A 1 357 ? -3.966 -54.676 -25.137 1.00 27.61 ? 403 LEU A N 1 ATOM 2474 C CA . LEU A 1 357 ? -3.894 -54.733 -23.695 1.00 26.87 ? 403 LEU A CA 1 ATOM 2475 C C . LEU A 1 357 ? -3.038 -55.880 -23.268 1.00 30.10 ? 403 LEU A C 1 ATOM 2476 O O . LEU A 1 357 ? -2.260 -55.744 -22.368 1.00 30.77 ? 403 LEU A O 1 ATOM 2477 C CB . LEU A 1 357 ? -5.270 -54.802 -23.052 1.00 23.99 ? 403 LEU A CB 1 ATOM 2478 C CG . LEU A 1 357 ? -5.972 -53.465 -23.024 1.00 21.89 ? 403 LEU A CG 1 ATOM 2479 C CD1 . LEU A 1 357 ? -7.197 -53.454 -22.172 1.00 20.40 ? 403 LEU A CD1 1 ATOM 2480 C CD2 . LEU A 1 357 ? -5.033 -52.377 -22.604 1.00 20.29 ? 403 LEU A CD2 1 ATOM 2481 N N . GLN A 1 358 ? -3.192 -57.023 -23.910 1.00 31.33 ? 404 GLN A N 1 ATOM 2482 C CA . GLN A 1 358 ? -2.313 -58.142 -23.596 1.00 32.91 ? 404 GLN A CA 1 ATOM 2483 C C . GLN A 1 358 ? -0.866 -57.823 -23.960 1.00 32.33 ? 404 GLN A C 1 ATOM 2484 O O . GLN A 1 358 ? 0.063 -58.199 -23.232 1.00 33.61 ? 404 GLN A O 1 ATOM 2485 C CB . GLN A 1 358 ? -2.790 -59.401 -24.322 1.00 34.29 ? 404 GLN A CB 1 ATOM 2486 C CG . GLN A 1 358 ? -2.180 -60.678 -23.780 1.00 35.95 ? 404 GLN A CG 1 ATOM 2487 C CD . GLN A 1 358 ? -2.451 -60.857 -22.290 1.00 36.96 ? 404 GLN A CD 1 ATOM 2488 O OE1 . GLN A 1 358 ? -3.598 -61.007 -21.861 1.00 36.55 ? 404 GLN A OE1 1 ATOM 2489 N NE2 . GLN A 1 358 ? -1.391 -60.825 -21.495 1.00 38.03 ? 404 GLN A NE2 1 ATOM 2490 N N . TRP A 1 359 ? -0.657 -57.144 -25.093 1.00 29.81 ? 405 TRP A N 1 ATOM 2491 C CA . TRP A 1 359 ? 0.683 -56.708 -25.471 1.00 28.16 ? 405 TRP A CA 1 ATOM 2492 C C . TRP A 1 359 ? 1.244 -55.739 -24.442 1.00 27.33 ? 405 TRP A C 1 ATOM 2493 O O . TRP A 1 359 ? 2.437 -55.781 -24.118 1.00 26.15 ? 405 TRP A O 1 ATOM 2494 C CB . TRP A 1 359 ? 0.630 -56.055 -26.854 1.00 27.70 ? 405 TRP A CB 1 ATOM 2495 C CG . TRP A 1 359 ? 1.868 -55.298 -27.288 1.00 28.27 ? 405 TRP A CG 1 ATOM 2496 C CD1 . TRP A 1 359 ? 2.990 -55.818 -27.882 1.00 29.41 ? 405 TRP A CD1 1 ATOM 2497 C CD2 . TRP A 1 359 ? 2.090 -53.882 -27.189 1.00 27.36 ? 405 TRP A CD2 1 ATOM 2498 N NE1 . TRP A 1 359 ? 3.896 -54.817 -28.146 1.00 29.62 ? 405 TRP A NE1 1 ATOM 2499 C CE2 . TRP A 1 359 ? 3.371 -53.619 -27.732 1.00 28.71 ? 405 TRP A CE2 1 ATOM 2500 C CE3 . TRP A 1 359 ? 1.338 -52.814 -26.689 1.00 25.44 ? 405 TRP A CE3 1 ATOM 2501 C CZ2 . TRP A 1 359 ? 3.910 -52.327 -27.794 1.00 28.10 ? 405 TRP A CZ2 1 ATOM 2502 C CZ3 . TRP A 1 359 ? 1.876 -51.531 -26.750 1.00 24.89 ? 405 TRP A CZ3 1 ATOM 2503 C CH2 . TRP A 1 359 ? 3.145 -51.300 -27.299 1.00 26.54 ? 405 TRP A CH2 1 ATOM 2504 N N . LEU A 1 360 ? 0.386 -54.856 -23.924 1.00 27.27 ? 406 LEU A N 1 ATOM 2505 C CA . LEU A 1 360 ? 0.801 -53.898 -22.911 1.00 26.88 ? 406 LEU A CA 1 ATOM 2506 C C . LEU A 1 360 ? 1.261 -54.604 -21.645 1.00 28.87 ? 406 LEU A C 1 ATOM 2507 O O . LEU A 1 360 ? 2.259 -54.206 -21.032 1.00 28.53 ? 406 LEU A O 1 ATOM 2508 C CB . LEU A 1 360 ? -0.355 -52.949 -22.595 1.00 24.42 ? 406 LEU A CB 1 ATOM 2509 C CG . LEU A 1 360 ? -0.118 -52.052 -21.385 1.00 22.84 ? 406 LEU A CG 1 ATOM 2510 C CD1 . LEU A 1 360 ? 1.058 -51.128 -21.670 1.00 23.20 ? 406 LEU A CD1 1 ATOM 2511 C CD2 . LEU A 1 360 ? -1.360 -51.251 -21.055 1.00 21.45 ? 406 LEU A CD2 1 ATOM 2512 N N . VAL A 1 361 ? 0.530 -55.645 -21.232 1.00 29.69 ? 407 VAL A N 1 ATOM 2513 C CA . VAL A 1 361 ? 0.896 -56.394 -20.036 1.00 30.47 ? 407 VAL A CA 1 ATOM 2514 C C . VAL A 1 361 ? 2.281 -57.005 -20.208 1.00 33.43 ? 407 VAL A C 1 ATOM 2515 O O . VAL A 1 361 ? 3.145 -56.889 -19.328 1.00 34.05 ? 407 VAL A O 1 ATOM 2516 C CB . VAL A 1 361 ? -0.167 -57.468 -19.731 1.00 30.98 ? 407 VAL A CB 1 ATOM 2517 C CG1 . VAL A 1 361 ? 0.352 -58.457 -18.704 1.00 32.14 ? 407 VAL A CG1 1 ATOM 2518 C CG2 . VAL A 1 361 ? -1.479 -56.830 -19.257 1.00 29.37 ? 407 VAL A CG2 1 ATOM 2519 N N . GLY A 1 362 ? 2.519 -57.651 -21.355 1.00 34.08 ? 408 GLY A N 1 ATOM 2520 C CA . GLY A 1 362 ? 3.826 -58.241 -21.599 1.00 34.83 ? 408 GLY A CA 1 ATOM 2521 C C . GLY A 1 362 ? 4.934 -57.207 -21.572 1.00 34.70 ? 408 GLY A C 1 ATOM 2522 O O . GLY A 1 362 ? 6.015 -57.445 -21.027 1.00 35.10 ? 408 GLY A O 1 ATOM 2523 N N . GLU A 1 363 ? 4.666 -56.034 -22.137 1.00 33.79 ? 409 GLU A N 1 ATOM 2524 C CA . GLU A 1 363 ? 5.635 -54.950 -22.109 1.00 33.82 ? 409 GLU A CA 1 ATOM 2525 C C . GLU A 1 363 ? 5.867 -54.448 -20.682 1.00 33.18 ? 409 GLU A C 1 ATOM 2526 O O . GLU A 1 363 ? 7.012 -54.203 -20.279 1.00 33.80 ? 409 GLU A O 1 ATOM 2527 C CB . GLU A 1 363 ? 5.144 -53.835 -23.028 1.00 33.91 ? 409 GLU A CB 1 ATOM 2528 C CG . GLU A 1 363 ? 6.213 -52.886 -23.455 1.00 36.65 ? 409 GLU A CG 1 ATOM 2529 C CD . GLU A 1 363 ? 6.895 -53.301 -24.726 1.00 40.85 ? 409 GLU A CD 1 ATOM 2530 O OE1 . GLU A 1 363 ? 6.272 -54.003 -25.551 1.00 43.03 ? 409 GLU A OE1 1 ATOM 2531 O OE2 . GLU A 1 363 ? 8.064 -52.912 -24.902 1.00 42.73 ? 409 GLU A OE2 1 ATOM 2532 N N . LEU A 1 364 ? 4.798 -54.322 -19.890 1.00 31.96 ? 410 LEU A N 1 ATOM 2533 C CA . LEU A 1 364 ? 4.936 -53.814 -18.526 1.00 30.14 ? 410 LEU A CA 1 ATOM 2534 C C . LEU A 1 364 ? 5.654 -54.810 -17.617 1.00 31.78 ? 410 LEU A C 1 ATOM 2535 O O . LEU A 1 364 ? 6.475 -54.413 -16.782 1.00 32.19 ? 410 LEU A O 1 ATOM 2536 C CB . LEU A 1 364 ? 3.560 -53.464 -17.963 1.00 27.54 ? 410 LEU A CB 1 ATOM 2537 C CG . LEU A 1 364 ? 2.990 -52.115 -18.424 1.00 25.57 ? 410 LEU A CG 1 ATOM 2538 C CD1 . LEU A 1 364 ? 1.553 -51.935 -17.970 1.00 23.45 ? 410 LEU A CD1 1 ATOM 2539 C CD2 . LEU A 1 364 ? 3.849 -50.977 -17.897 1.00 25.46 ? 410 LEU A CD2 1 ATOM 2540 N N . GLN A 1 365 ? 5.349 -56.101 -17.752 1.00 32.34 ? 411 GLN A N 1 ATOM 2541 C CA . GLN A 1 365 ? 6.029 -57.114 -16.954 1.00 33.46 ? 411 GLN A CA 1 ATOM 2542 C C . GLN A 1 365 ? 7.504 -57.206 -17.319 1.00 35.76 ? 411 GLN A C 1 ATOM 2543 O O . GLN A 1 365 ? 8.351 -57.495 -16.460 1.00 37.49 ? 411 GLN A O 1 ATOM 2544 C CB . GLN A 1 365 ? 5.365 -58.475 -17.152 1.00 34.03 ? 411 GLN A CB 1 ATOM 2545 C CG . GLN A 1 365 ? 5.933 -59.531 -16.242 1.00 35.75 ? 411 GLN A CG 1 ATOM 2546 C CD . GLN A 1 365 ? 5.723 -59.159 -14.805 1.00 37.37 ? 411 GLN A CD 1 ATOM 2547 O OE1 . GLN A 1 365 ? 4.601 -58.866 -14.397 1.00 37.86 ? 411 GLN A OE1 1 ATOM 2548 N NE2 . GLN A 1 365 ? 6.802 -59.130 -14.029 1.00 38.23 ? 411 GLN A NE2 1 ATOM 2549 N N . ALA A 1 366 ? 7.823 -57.009 -18.602 1.00 34.94 ? 412 ALA A N 1 ATOM 2550 C CA . ALA A 1 366 ? 9.218 -56.940 -19.017 1.00 33.41 ? 412 ALA A CA 1 ATOM 2551 C C . ALA A 1 366 ? 9.912 -55.761 -18.356 1.00 32.02 ? 412 ALA A C 1 ATOM 2552 O O . ALA A 1 366 ? 11.052 -55.880 -17.888 1.00 32.77 ? 412 ALA A O 1 ATOM 2553 C CB . ALA A 1 366 ? 9.304 -56.835 -20.535 1.00 32.16 ? 412 ALA A CB 1 ATOM 2554 N N . ALA A 1 367 ? 9.227 -54.616 -18.295 1.00 29.69 ? 413 ALA A N 1 ATOM 2555 C CA . ALA A 1 367 ? 9.788 -53.455 -17.618 1.00 28.55 ? 413 ALA A CA 1 ATOM 2556 C C . ALA A 1 367 ? 9.985 -53.738 -16.135 1.00 31.03 ? 413 ALA A C 1 ATOM 2557 O O . ALA A 1 367 ? 11.033 -53.410 -15.564 1.00 32.22 ? 413 ALA A O 1 ATOM 2558 C CB . ALA A 1 367 ? 8.889 -52.242 -17.828 1.00 24.75 ? 413 ALA A CB 1 ATOM 2559 N N . GLU A 1 368 ? 9.000 -54.374 -15.501 1.00 31.33 ? 414 GLU A N 1 ATOM 2560 C CA . GLU A 1 368 ? 9.153 -54.749 -14.102 1.00 31.52 ? 414 GLU A CA 1 ATOM 2561 C C . GLU A 1 368 ? 10.332 -55.700 -13.909 1.00 32.05 ? 414 GLU A C 1 ATOM 2562 O O . GLU A 1 368 ? 11.099 -55.559 -12.952 1.00 30.66 ? 414 GLU A O 1 ATOM 2563 C CB . GLU A 1 368 ? 7.856 -55.372 -13.590 1.00 31.70 ? 414 GLU A CB 1 ATOM 2564 C CG . GLU A 1 368 ? 7.953 -55.907 -12.177 1.00 32.47 ? 414 GLU A CG 1 ATOM 2565 C CD . GLU A 1 368 ? 6.613 -56.344 -11.634 1.00 32.16 ? 414 GLU A CD 1 ATOM 2566 O OE1 . GLU A 1 368 ? 5.694 -55.495 -11.538 1.00 30.59 ? 414 GLU A OE1 1 ATOM 2567 O OE2 . GLU A 1 368 ? 6.476 -57.548 -11.319 1.00 33.16 ? 414 GLU A OE2 1 ATOM 2568 N N . ASP A 1 369 ? 10.509 -56.656 -14.826 1.00 34.49 ? 415 ASP A N 1 ATOM 2569 C CA . ASP A 1 369 ? 11.621 -57.604 -14.718 1.00 35.94 ? 415 ASP A CA 1 ATOM 2570 C C . ASP A 1 369 ? 12.974 -56.894 -14.758 1.00 36.52 ? 415 ASP A C 1 ATOM 2571 O O . ASP A 1 369 ? 13.882 -57.235 -13.992 1.00 36.95 ? 415 ASP A O 1 ATOM 2572 C CB . ASP A 1 369 ? 11.543 -58.652 -15.836 1.00 35.79 ? 415 ASP A CB 1 ATOM 2573 C CG . ASP A 1 369 ? 10.349 -59.601 -15.694 1.00 35.59 ? 415 ASP A CG 1 ATOM 2574 O OD1 . ASP A 1 369 ? 9.679 -59.584 -14.633 1.00 34.65 ? 415 ASP A OD1 1 ATOM 2575 O OD2 . ASP A 1 369 ? 10.103 -60.389 -16.646 1.00 36.03 ? 415 ASP A OD2 1 ATOM 2576 N N . ARG A 1 370 ? 13.136 -55.919 -15.658 1.00 36.98 ? 416 ARG A N 1 ATOM 2577 C CA . ARG A 1 370 ? 14.369 -55.142 -15.742 1.00 38.15 ? 416 ARG A CA 1 ATOM 2578 C C . ARG A 1 370 ? 14.455 -54.036 -14.698 1.00 36.91 ? 416 ARG A C 1 ATOM 2579 O O . ARG A 1 370 ? 15.510 -53.406 -14.574 1.00 37.69 ? 416 ARG A O 1 ATOM 2580 C CB . ARG A 1 370 ? 14.513 -54.503 -17.129 1.00 38.86 ? 416 ARG A CB 1 ATOM 2581 C CG . ARG A 1 370 ? 14.622 -55.473 -18.285 1.00 42.17 ? 416 ARG A CG 1 ATOM 2582 C CD . ARG A 1 370 ? 14.751 -54.717 -19.606 1.00 44.80 ? 416 ARG A CD 1 ATOM 2583 N NE . ARG A 1 370 ? 13.688 -53.722 -19.764 1.00 46.11 ? 416 ARG A NE 1 ATOM 2584 C CZ . ARG A 1 370 ? 12.582 -53.902 -20.491 1.00 46.93 ? 416 ARG A CZ 1 ATOM 2585 N NH1 . ARG A 1 370 ? 12.396 -55.042 -21.148 1.00 48.34 ? 416 ARG A NH1 1 ATOM 2586 N NH2 . ARG A 1 370 ? 11.664 -52.936 -20.567 1.00 44.87 ? 416 ARG A NH2 1 ATOM 2587 N N . GLY A 1 371 ? 13.381 -53.770 -13.962 1.00 35.45 ? 417 GLY A N 1 ATOM 2588 C CA . GLY A 1 371 ? 13.353 -52.592 -13.122 1.00 35.70 ? 417 GLY A CA 1 ATOM 2589 C C . GLY A 1 371 ? 13.211 -51.287 -13.878 1.00 36.39 ? 417 GLY A C 1 ATOM 2590 O O . GLY A 1 371 ? 13.487 -50.224 -13.317 1.00 36.64 ? 417 GLY A O 1 ATOM 2591 N N . ASP A 1 372 ? 12.800 -51.336 -15.143 1.00 36.31 ? 418 ASP A N 1 ATOM 2592 C CA . ASP A 1 372 ? 12.523 -50.121 -15.893 1.00 35.24 ? 418 ASP A CA 1 ATOM 2593 C C . ASP A 1 372 ? 11.278 -49.428 -15.348 1.00 32.29 ? 418 ASP A C 1 ATOM 2594 O O . ASP A 1 372 ? 10.488 -50.012 -14.600 1.00 31.85 ? 418 ASP A O 1 ATOM 2595 C CB . ASP A 1 372 ? 12.321 -50.441 -17.374 1.00 37.67 ? 418 ASP A CB 1 ATOM 2596 C CG . ASP A 1 372 ? 13.626 -50.682 -18.109 1.00 41.43 ? 418 ASP A CG 1 ATOM 2597 O OD1 . ASP A 1 372 ? 14.690 -50.814 -17.454 1.00 42.51 ? 418 ASP A OD1 1 ATOM 2598 O OD2 . ASP A 1 372 ? 13.577 -50.751 -19.355 1.00 42.83 ? 418 ASP A OD2 1 ATOM 2599 N N . LYS A 1 373 ? 11.116 -48.164 -15.733 1.00 30.01 ? 419 LYS A N 1 ATOM 2600 C CA . LYS A 1 373 ? 9.909 -47.382 -15.499 1.00 28.59 ? 419 LYS A CA 1 ATOM 2601 C C . LYS A 1 373 ? 9.237 -47.093 -16.835 1.00 30.48 ? 419 LYS A C 1 ATOM 2602 O O . LYS A 1 373 ? 9.880 -47.102 -17.890 1.00 32.91 ? 419 LYS A O 1 ATOM 2603 C CB . LYS A 1 373 ? 10.223 -46.063 -14.782 1.00 27.50 ? 419 LYS A CB 1 ATOM 2604 C CG . LYS A 1 373 ? 10.942 -46.216 -13.460 1.00 28.50 ? 419 LYS A CG 1 ATOM 2605 C CD . LYS A 1 373 ? 10.094 -47.004 -12.486 1.00 30.29 ? 419 LYS A CD 1 ATOM 2606 C CE . LYS A 1 373 ? 10.759 -47.151 -11.124 1.00 32.99 ? 419 LYS A CE 1 ATOM 2607 N NZ . LYS A 1 373 ? 10.140 -48.280 -10.350 1.00 34.48 ? 419 LYS A NZ 1 ATOM 2608 N N . VAL A 1 374 ? 7.937 -46.815 -16.798 1.00 29.17 ? 420 VAL A N 1 ATOM 2609 C CA . VAL A 1 374 ? 7.156 -46.708 -18.024 1.00 28.33 ? 420 VAL A CA 1 ATOM 2610 C C . VAL A 1 374 ? 6.408 -45.380 -18.061 1.00 28.80 ? 420 VAL A C 1 ATOM 2611 O O . VAL A 1 374 ? 5.873 -44.930 -17.041 1.00 29.32 ? 420 VAL A O 1 ATOM 2612 C CB . VAL A 1 374 ? 6.176 -47.888 -18.169 1.00 26.90 ? 420 VAL A CB 1 ATOM 2613 C CG1 . VAL A 1 374 ? 5.320 -47.734 -19.427 1.00 25.94 ? 420 VAL A CG1 1 ATOM 2614 C CG2 . VAL A 1 374 ? 6.950 -49.206 -18.193 1.00 26.90 ? 420 VAL A CG2 1 ATOM 2615 N N . HIS A 1 375 ? 6.402 -44.747 -19.232 1.00 28.11 ? 421 HIS A N 1 ATOM 2616 C CA . HIS A 1 375 ? 5.451 -43.706 -19.578 1.00 26.07 ? 421 HIS A CA 1 ATOM 2617 C C . HIS A 1 375 ? 4.443 -44.291 -20.553 1.00 26.12 ? 421 HIS A C 1 ATOM 2618 O O . HIS A 1 375 ? 4.827 -44.971 -21.513 1.00 26.16 ? 421 HIS A O 1 ATOM 2619 C CB . HIS A 1 375 ? 6.132 -42.502 -20.228 1.00 25.28 ? 421 HIS A CB 1 ATOM 2620 C CG . HIS A 1 375 ? 6.977 -41.708 -19.291 1.00 25.60 ? 421 HIS A CG 1 ATOM 2621 N ND1 . HIS A 1 375 ? 7.704 -40.610 -19.697 1.00 26.34 ? 421 HIS A ND1 1 ATOM 2622 C CD2 . HIS A 1 375 ? 7.218 -41.855 -17.968 1.00 25.29 ? 421 HIS A CD2 1 ATOM 2623 C CE1 . HIS A 1 375 ? 8.356 -40.112 -18.660 1.00 26.57 ? 421 HIS A CE1 1 ATOM 2624 N NE2 . HIS A 1 375 ? 8.078 -40.850 -17.599 1.00 25.62 ? 421 HIS A NE2 1 ATOM 2625 N N . ILE A 1 376 ? 3.164 -44.013 -20.316 1.00 25.00 ? 422 ILE A N 1 ATOM 2626 C CA . ILE A 1 376 ? 2.102 -44.328 -21.261 1.00 24.35 ? 422 ILE A CA 1 ATOM 2627 C C . ILE A 1 376 ? 1.570 -43.024 -21.846 1.00 24.70 ? 422 ILE A C 1 ATOM 2628 O O . ILE A 1 376 ? 1.248 -42.087 -21.104 1.00 24.83 ? 422 ILE A O 1 ATOM 2629 C CB . ILE A 1 376 ? 0.990 -45.154 -20.595 1.00 22.56 ? 422 ILE A CB 1 ATOM 2630 C CG1 . ILE A 1 376 ? 1.554 -46.538 -20.246 1.00 23.19 ? 422 ILE A CG1 1 ATOM 2631 C CG2 . ILE A 1 376 ? -0.237 -45.241 -21.509 1.00 20.59 ? 422 ILE A CG2 1 ATOM 2632 C CD1 . ILE A 1 376 ? 0.548 -47.531 -19.782 1.00 23.61 ? 422 ILE A CD1 1 ATOM 2633 N N . ILE A 1 377 ? 1.515 -42.951 -23.175 1.00 24.58 ? 423 ILE A N 1 ATOM 2634 C CA . ILE A 1 377 ? 0.848 -41.855 -23.863 1.00 25.11 ? 423 ILE A CA 1 ATOM 2635 C C . ILE A 1 377 ? -0.248 -42.439 -24.742 1.00 27.18 ? 423 ILE A C 1 ATOM 2636 O O . ILE A 1 377 ? -0.123 -43.549 -25.270 1.00 29.83 ? 423 ILE A O 1 ATOM 2637 C CB . ILE A 1 377 ? 1.816 -40.993 -24.702 1.00 24.95 ? 423 ILE A CB 1 ATOM 2638 C CG1 . ILE A 1 377 ? 2.266 -41.748 -25.957 1.00 25.76 ? 423 ILE A CG1 1 ATOM 2639 C CG2 . ILE A 1 377 ? 3.004 -40.541 -23.858 1.00 24.04 ? 423 ILE A CG2 1 ATOM 2640 C CD1 . ILE A 1 377 ? 3.052 -40.895 -26.932 1.00 25.81 ? 423 ILE A CD1 1 ATOM 2641 N N . GLY A 1 378 ? -1.330 -41.680 -24.891 1.00 26.40 ? 424 GLY A N 1 ATOM 2642 C CA . GLY A 1 378 ? -2.481 -42.102 -25.669 1.00 25.76 ? 424 GLY A CA 1 ATOM 2643 C C . GLY A 1 378 ? -3.399 -40.922 -25.875 1.00 26.84 ? 424 GLY A C 1 ATOM 2644 O O . GLY A 1 378 ? -3.181 -39.838 -25.337 1.00 27.01 ? 424 GLY A O 1 ATOM 2645 N N . HIS A 1 379 ? -4.442 -41.138 -26.670 1.00 29.39 ? 425 HIS A N 1 ATOM 2646 C CA . HIS A 1 379 ? -5.344 -40.037 -26.992 1.00 30.20 ? 425 HIS A CA 1 ATOM 2647 C C . HIS A 1 379 ? -6.562 -40.011 -26.064 1.00 29.15 ? 425 HIS A C 1 ATOM 2648 O O . HIS A 1 379 ? -6.603 -39.211 -25.123 1.00 28.62 ? 425 HIS A O 1 ATOM 2649 C CB . HIS A 1 379 ? -5.762 -40.115 -28.459 1.00 32.42 ? 425 HIS A CB 1 ATOM 2650 C CG . HIS A 1 379 ? -6.658 -39.000 -28.886 1.00 35.55 ? 425 HIS A CG 1 ATOM 2651 N ND1 . HIS A 1 379 ? -6.233 -37.692 -28.984 1.00 36.12 ? 425 HIS A ND1 1 ATOM 2652 C CD2 . HIS A 1 379 ? -7.972 -38.993 -29.215 1.00 36.32 ? 425 HIS A CD2 1 ATOM 2653 C CE1 . HIS A 1 379 ? -7.242 -36.930 -29.367 1.00 36.30 ? 425 HIS A CE1 1 ATOM 2654 N NE2 . HIS A 1 379 ? -8.310 -37.696 -29.513 1.00 37.51 ? 425 HIS A NE2 1 ATOM 2655 N N . ILE A 1 380 ? -7.552 -40.867 -26.311 1.00 27.97 ? 426 ILE A N 1 ATOM 2656 C CA . ILE A 1 380 ? -8.745 -40.909 -25.451 1.00 26.87 ? 426 ILE A CA 1 ATOM 2657 C C . ILE A 1 380 ? -8.340 -41.337 -24.045 1.00 26.94 ? 426 ILE A C 1 ATOM 2658 O O . ILE A 1 380 ? -7.698 -42.394 -23.882 1.00 26.85 ? 426 ILE A O 1 ATOM 2659 C CB . ILE A 1 380 ? -9.790 -41.881 -26.031 1.00 26.00 ? 426 ILE A CB 1 ATOM 2660 C CG1 . ILE A 1 380 ? -10.221 -41.435 -27.424 1.00 25.81 ? 426 ILE A CG1 1 ATOM 2661 C CG2 . ILE A 1 380 ? -11.010 -42.004 -25.114 1.00 24.61 ? 426 ILE A CG2 1 ATOM 2662 C CD1 . ILE A 1 380 ? -11.095 -42.441 -28.094 1.00 26.58 ? 426 ILE A CD1 1 ATOM 2663 N N . PRO A 1 381 ? -8.685 -40.584 -22.998 1.00 26.39 ? 427 PRO A N 1 ATOM 2664 C CA . PRO A 1 381 ? -8.304 -40.987 -21.643 1.00 25.16 ? 427 PRO A CA 1 ATOM 2665 C C . PRO A 1 381 ? -9.040 -42.250 -21.227 1.00 25.17 ? 427 PRO A C 1 ATOM 2666 O O . PRO A 1 381 ? -10.203 -42.466 -21.617 1.00 24.98 ? 427 PRO A O 1 ATOM 2667 C CB . PRO A 1 381 ? -8.718 -39.787 -20.779 1.00 24.09 ? 427 PRO A CB 1 ATOM 2668 C CG . PRO A 1 381 ? -9.829 -39.137 -21.569 1.00 24.70 ? 427 PRO A CG 1 ATOM 2669 C CD . PRO A 1 381 ? -9.428 -39.304 -23.010 1.00 25.75 ? 427 PRO A CD 1 ATOM 2670 N N . PRO A 1 382 ? -8.411 -43.108 -20.410 1.00 24.92 ? 428 PRO A N 1 ATOM 2671 C CA . PRO A 1 382 ? -9.000 -44.430 -20.129 1.00 25.15 ? 428 PRO A CA 1 ATOM 2672 C C . PRO A 1 382 ? -10.336 -44.380 -19.401 1.00 26.09 ? 428 PRO A C 1 ATOM 2673 O O . PRO A 1 382 ? -11.146 -45.307 -19.567 1.00 26.58 ? 428 PRO A O 1 ATOM 2674 C CB . PRO A 1 382 ? -7.917 -45.131 -19.289 1.00 24.04 ? 428 PRO A CB 1 ATOM 2675 C CG . PRO A 1 382 ? -7.024 -44.061 -18.803 1.00 23.40 ? 428 PRO A CG 1 ATOM 2676 C CD . PRO A 1 382 ? -7.099 -42.925 -19.759 1.00 23.71 ? 428 PRO A CD 1 ATOM 2677 N N . GLY A 1 383 ? -10.598 -43.337 -18.609 1.00 25.40 ? 429 GLY A N 1 ATOM 2678 C CA . GLY A 1 383 ? -11.905 -43.201 -17.990 1.00 25.63 ? 429 GLY A CA 1 ATOM 2679 C C . GLY A 1 383 ? -13.043 -43.077 -18.991 1.00 27.22 ? 429 GLY A C 1 ATOM 2680 O O . GLY A 1 383 ? -14.192 -43.392 -18.665 1.00 29.17 ? 429 GLY A O 1 ATOM 2681 N N . HIS A 1 384 ? -12.750 -42.636 -20.218 1.00 25.92 ? 430 HIS A N 1 ATOM 2682 C CA . HIS A 1 384 ? -13.784 -42.474 -21.238 1.00 27.97 ? 430 HIS A CA 1 ATOM 2683 C C . HIS A 1 384 ? -13.899 -43.676 -22.170 1.00 28.40 ? 430 HIS A C 1 ATOM 2684 O O . HIS A 1 384 ? -14.715 -43.646 -23.097 1.00 28.88 ? 430 HIS A O 1 ATOM 2685 C CB . HIS A 1 384 ? -13.540 -41.208 -22.079 1.00 29.89 ? 430 HIS A CB 1 ATOM 2686 C CG . HIS A 1 384 ? -13.576 -39.932 -21.290 1.00 32.72 ? 430 HIS A CG 1 ATOM 2687 N ND1 . HIS A 1 384 ? -13.951 -38.725 -21.843 1.00 33.48 ? 430 HIS A ND1 1 ATOM 2688 C CD2 . HIS A 1 384 ? -13.271 -39.672 -19.995 1.00 32.88 ? 430 HIS A CD2 1 ATOM 2689 C CE1 . HIS A 1 384 ? -13.885 -37.781 -20.920 1.00 33.32 ? 430 HIS A CE1 1 ATOM 2690 N NE2 . HIS A 1 384 ? -13.473 -38.328 -19.790 1.00 32.59 ? 430 HIS A NE2 1 ATOM 2691 N N . CYS A 1 385 ? -13.122 -44.731 -21.944 1.00 28.24 ? 431 CYS A N 1 ATOM 2692 C CA . CYS A 1 385 ? -13.181 -45.903 -22.804 1.00 28.60 ? 431 CYS A CA 1 ATOM 2693 C C . CYS A 1 385 ? -14.444 -46.724 -22.546 1.00 28.66 ? 431 CYS A C 1 ATOM 2694 O O . CYS A 1 385 ? -15.172 -46.516 -21.574 1.00 28.13 ? 431 CYS A O 1 ATOM 2695 C CB . CYS A 1 385 ? -11.974 -46.798 -22.571 1.00 29.28 ? 431 CYS A CB 1 ATOM 2696 S SG . CYS A 1 385 ? -10.434 -46.045 -23.017 1.00 29.51 ? 431 CYS A SG 1 ATOM 2697 N N . LEU A 1 386 ? -14.680 -47.689 -23.435 1.00 29.68 ? 432 LEU A N 1 ATOM 2698 C CA . LEU A 1 386 ? -15.685 -48.715 -23.210 1.00 30.19 ? 432 LEU A CA 1 ATOM 2699 C C . LEU A 1 386 ? -15.467 -49.386 -21.860 1.00 31.38 ? 432 LEU A C 1 ATOM 2700 O O . LEU A 1 386 ? -14.355 -49.415 -21.322 1.00 31.39 ? 432 LEU A O 1 ATOM 2701 C CB . LEU A 1 386 ? -15.648 -49.765 -24.320 1.00 29.72 ? 432 LEU A CB 1 ATOM 2702 C CG . LEU A 1 386 ? -16.164 -49.305 -25.690 1.00 29.43 ? 432 LEU A CG 1 ATOM 2703 C CD1 . LEU A 1 386 ? -15.526 -50.112 -26.809 1.00 29.17 ? 432 LEU A CD1 1 ATOM 2704 C CD2 . LEU A 1 386 ? -17.687 -49.387 -25.778 1.00 29.28 ? 432 LEU A CD2 1 ATOM 2705 N N . LYS A 1 387 ? -16.553 -49.951 -21.327 1.00 32.95 ? 433 LYS A N 1 ATOM 2706 C CA . LYS A 1 387 ? -16.538 -50.508 -19.976 1.00 33.88 ? 433 LYS A CA 1 ATOM 2707 C C . LYS A 1 387 ? -15.445 -51.561 -19.790 1.00 33.36 ? 433 LYS A C 1 ATOM 2708 O O . LYS A 1 387 ? -14.558 -51.395 -18.946 1.00 33.12 ? 433 LYS A O 1 ATOM 2709 C CB . LYS A 1 387 ? -17.907 -51.089 -19.632 1.00 36.41 ? 433 LYS A CB 1 ATOM 2710 C CG . LYS A 1 387 ? -17.965 -51.691 -18.237 1.00 39.58 ? 433 LYS A CG 1 ATOM 2711 C CD . LYS A 1 387 ? -19.149 -51.178 -17.418 1.00 42.85 ? 433 LYS A CD 1 ATOM 2712 C CE . LYS A 1 387 ? -19.323 -52.011 -16.150 1.00 45.38 ? 433 LYS A CE 1 ATOM 2713 N NZ . LYS A 1 387 ? -20.613 -52.765 -16.204 1.00 49.82 ? 433 LYS A NZ 1 ATOM 2714 N N . SER A 1 388 ? -15.498 -52.660 -20.550 1.00 33.06 ? 434 SER A N 1 ATOM 2715 C CA . SER A 1 388 ? -14.575 -53.772 -20.303 1.00 31.75 ? 434 SER A CA 1 ATOM 2716 C C . SER A 1 388 ? -13.125 -53.345 -20.492 1.00 29.01 ? 434 SER A C 1 ATOM 2717 O O . SER A 1 388 ? -12.260 -53.663 -19.667 1.00 28.52 ? 434 SER A O 1 ATOM 2718 C CB . SER A 1 388 ? -14.893 -54.957 -21.218 1.00 33.12 ? 434 SER A CB 1 ATOM 2719 O OG . SER A 1 388 ? -16.025 -55.664 -20.755 1.00 34.60 ? 434 SER A OG 1 ATOM 2720 N N . TRP A 1 389 ? -12.845 -52.625 -21.579 1.00 26.72 ? 435 TRP A N 1 ATOM 2721 C CA . TRP A 1 389 ? -11.501 -52.107 -21.810 1.00 25.30 ? 435 TRP A CA 1 ATOM 2722 C C . TRP A 1 389 ? -11.039 -51.240 -20.639 1.00 25.38 ? 435 TRP A C 1 ATOM 2723 O O . TRP A 1 389 ? -9.955 -51.452 -20.087 1.00 24.86 ? 435 TRP A O 1 ATOM 2724 C CB . TRP A 1 389 ? -11.478 -51.320 -23.127 1.00 24.14 ? 435 TRP A CB 1 ATOM 2725 C CG . TRP A 1 389 ? -10.133 -51.242 -23.840 1.00 25.18 ? 435 TRP A CG 1 ATOM 2726 C CD1 . TRP A 1 389 ? -9.747 -51.945 -24.951 1.00 25.89 ? 435 TRP A CD1 1 ATOM 2727 C CD2 . TRP A 1 389 ? -9.017 -50.407 -23.494 1.00 24.73 ? 435 TRP A CD2 1 ATOM 2728 N NE1 . TRP A 1 389 ? -8.470 -51.600 -25.314 1.00 25.22 ? 435 TRP A NE1 1 ATOM 2729 C CE2 . TRP A 1 389 ? -7.999 -50.656 -24.441 1.00 25.14 ? 435 TRP A CE2 1 ATOM 2730 C CE3 . TRP A 1 389 ? -8.785 -49.469 -22.487 1.00 19.58 ? 435 TRP A CE3 1 ATOM 2731 C CZ2 . TRP A 1 389 ? -6.771 -49.995 -24.409 1.00 25.14 ? 435 TRP A CZ2 1 ATOM 2732 C CZ3 . TRP A 1 389 ? -7.561 -48.823 -22.448 1.00 24.57 ? 435 TRP A CZ3 1 ATOM 2733 C CH2 . TRP A 1 389 ? -6.568 -49.088 -23.402 1.00 24.98 ? 435 TRP A CH2 1 ATOM 2734 N N . SER A 1 390 ? -11.863 -50.269 -20.230 1.00 26.05 ? 436 SER A N 1 ATOM 2735 C CA . SER A 1 390 ? -11.458 -49.363 -19.160 1.00 26.74 ? 436 SER A CA 1 ATOM 2736 C C . SER A 1 390 ? -11.188 -50.114 -17.861 1.00 28.52 ? 436 SER A C 1 ATOM 2737 O O . SER A 1 390 ? -10.259 -49.763 -17.117 1.00 28.99 ? 436 SER A O 1 ATOM 2738 C CB . SER A 1 390 ? -12.522 -48.288 -18.935 1.00 27.09 ? 436 SER A CB 1 ATOM 2739 O OG . SER A 1 390 ? -12.064 -47.337 -17.982 1.00 26.92 ? 436 SER A OG 1 ATOM 2740 N N . TRP A 1 391 ? -11.982 -51.155 -17.576 1.00 28.87 ? 437 TRP A N 1 ATOM 2741 C CA . TRP A 1 391 ? -11.785 -51.942 -16.363 1.00 29.96 ? 437 TRP A CA 1 ATOM 2742 C C . TRP A 1 391 ? -10.492 -52.751 -16.412 1.00 28.54 ? 437 TRP A C 1 ATOM 2743 O O . TRP A 1 391 ? -9.773 -52.840 -15.406 1.00 27.41 ? 437 TRP A O 1 ATOM 2744 C CB . TRP A 1 391 ? -12.980 -52.860 -16.150 1.00 34.11 ? 437 TRP A CB 1 ATOM 2745 C CG . TRP A 1 391 ? -14.086 -52.175 -15.445 1.00 37.21 ? 437 TRP A CG 1 ATOM 2746 C CD1 . TRP A 1 391 ? -14.807 -51.087 -15.883 1.00 38.03 ? 437 TRP A CD1 1 ATOM 2747 C CD2 . TRP A 1 391 ? -14.613 -52.519 -14.161 1.00 37.61 ? 437 TRP A CD2 1 ATOM 2748 N NE1 . TRP A 1 391 ? -15.752 -50.740 -14.943 1.00 38.79 ? 437 TRP A NE1 1 ATOM 2749 C CE2 . TRP A 1 391 ? -15.656 -51.604 -13.879 1.00 38.30 ? 437 TRP A CE2 1 ATOM 2750 C CE3 . TRP A 1 391 ? -14.305 -53.511 -13.222 1.00 36.43 ? 437 TRP A CE3 1 ATOM 2751 C CZ2 . TRP A 1 391 ? -16.385 -51.653 -12.694 1.00 37.40 ? 437 TRP A CZ2 1 ATOM 2752 C CZ3 . TRP A 1 391 ? -15.032 -53.561 -12.056 1.00 36.75 ? 437 TRP A CZ3 1 ATOM 2753 C CH2 . TRP A 1 391 ? -16.062 -52.639 -11.799 1.00 37.14 ? 437 TRP A CH2 1 ATOM 2754 N N . ASN A 1 392 ? -10.181 -53.353 -17.566 1.00 28.49 ? 438 ASN A N 1 ATOM 2755 C CA . ASN A 1 392 ? -8.940 -54.118 -17.689 1.00 29.09 ? 438 ASN A CA 1 ATOM 2756 C C . ASN A 1 392 ? -7.720 -53.210 -17.612 1.00 26.68 ? 438 ASN A C 1 ATOM 2757 O O . ASN A 1 392 ? -6.708 -53.573 -16.999 1.00 27.27 ? 438 ASN A O 1 ATOM 2758 C CB . ASN A 1 392 ? -8.923 -54.911 -18.996 1.00 30.79 ? 438 ASN A CB 1 ATOM 2759 C CG . ASN A 1 392 ? -9.833 -56.123 -18.962 1.00 32.52 ? 438 ASN A CG 1 ATOM 2760 O OD1 . ASN A 1 392 ? -9.475 -57.157 -18.407 1.00 35.45 ? 438 ASN A OD1 1 ATOM 2761 N ND2 . ASN A 1 392 ? -11.007 -56.006 -19.567 1.00 31.73 ? 438 ASN A ND2 1 ATOM 2762 N N . TYR A 1 393 ? -7.790 -52.034 -18.239 1.00 23.78 ? 439 TYR A N 1 ATOM 2763 C CA . TYR A 1 393 ? -6.710 -51.065 -18.106 1.00 22.68 ? 439 TYR A CA 1 ATOM 2764 C C . TYR A 1 393 ? -6.516 -50.663 -16.646 1.00 23.99 ? 439 TYR A C 1 ATOM 2765 O O . TYR A 1 393 ? -5.382 -50.617 -16.150 1.00 23.67 ? 439 TYR A O 1 ATOM 2766 C CB . TYR A 1 393 ? -7.001 -49.840 -18.978 1.00 21.01 ? 439 TYR A CB 1 ATOM 2767 C CG . TYR A 1 393 ? -5.852 -48.857 -19.050 1.00 20.68 ? 439 TYR A CG 1 ATOM 2768 C CD1 . TYR A 1 393 ? -4.813 -49.036 -19.964 1.00 20.74 ? 439 TYR A CD1 1 ATOM 2769 C CD2 . TYR A 1 393 ? -5.802 -47.748 -18.203 1.00 20.51 ? 439 TYR A CD2 1 ATOM 2770 C CE1 . TYR A 1 393 ? -3.750 -48.143 -20.032 1.00 20.52 ? 439 TYR A CE1 1 ATOM 2771 C CE2 . TYR A 1 393 ? -4.751 -46.840 -18.270 1.00 20.31 ? 439 TYR A CE2 1 ATOM 2772 C CZ . TYR A 1 393 ? -3.725 -47.045 -19.184 1.00 20.54 ? 439 TYR A CZ 1 ATOM 2773 O OH . TYR A 1 393 ? -2.671 -46.155 -19.244 1.00 20.18 ? 439 TYR A OH 1 ATOM 2774 N N . TYR A 1 394 ? -7.619 -50.386 -15.939 1.00 24.56 ? 440 TYR A N 1 ATOM 2775 C CA . TYR A 1 394 ? -7.546 -50.059 -14.517 1.00 24.71 ? 440 TYR A CA 1 ATOM 2776 C C . TYR A 1 394 ? -6.842 -51.159 -13.736 1.00 25.03 ? 440 TYR A C 1 ATOM 2777 O O . TYR A 1 394 ? -6.025 -50.885 -12.852 1.00 23.54 ? 440 TYR A O 1 ATOM 2778 C CB . TYR A 1 394 ? -8.956 -49.847 -13.974 1.00 25.40 ? 440 TYR A CB 1 ATOM 2779 C CG . TYR A 1 394 ? -9.067 -48.960 -12.755 1.00 25.33 ? 440 TYR A CG 1 ATOM 2780 C CD1 . TYR A 1 394 ? -9.058 -47.577 -12.879 1.00 25.01 ? 440 TYR A CD1 1 ATOM 2781 C CD2 . TYR A 1 394 ? -9.232 -49.502 -11.488 1.00 25.53 ? 440 TYR A CD2 1 ATOM 2782 C CE1 . TYR A 1 394 ? -9.193 -46.755 -11.769 1.00 24.55 ? 440 TYR A CE1 1 ATOM 2783 C CE2 . TYR A 1 394 ? -9.358 -48.694 -10.373 1.00 24.82 ? 440 TYR A CE2 1 ATOM 2784 C CZ . TYR A 1 394 ? -9.341 -47.322 -10.514 1.00 24.45 ? 440 TYR A CZ 1 ATOM 2785 O OH . TYR A 1 394 ? -9.480 -46.503 -9.408 1.00 23.99 ? 440 TYR A OH 1 ATOM 2786 N N . ARG A 1 395 ? -7.148 -52.413 -14.053 1.00 27.62 ? 441 ARG A N 1 ATOM 2787 C CA . ARG A 1 395 ? -6.523 -53.518 -13.343 1.00 30.77 ? 441 ARG A CA 1 ATOM 2788 C C . ARG A 1 395 ? -5.039 -53.624 -13.675 1.00 30.35 ? 441 ARG A C 1 ATOM 2789 O O . ARG A 1 395 ? -4.230 -53.940 -12.792 1.00 30.77 ? 441 ARG A O 1 ATOM 2790 C CB . ARG A 1 395 ? -7.272 -54.811 -13.670 1.00 34.62 ? 441 ARG A CB 1 ATOM 2791 C CG . ARG A 1 395 ? -6.704 -56.032 -13.039 1.00 39.67 ? 441 ARG A CG 1 ATOM 2792 C CD . ARG A 1 395 ? -7.758 -57.094 -12.894 1.00 44.90 ? 441 ARG A CD 1 ATOM 2793 N NE . ARG A 1 395 ? -7.222 -58.393 -13.275 1.00 49.29 ? 441 ARG A NE 1 ATOM 2794 C CZ . ARG A 1 395 ? -7.426 -58.958 -14.462 1.00 53.04 ? 441 ARG A CZ 1 ATOM 2795 N NH1 . ARG A 1 395 ? -8.173 -58.341 -15.373 1.00 54.97 ? 441 ARG A NH1 1 ATOM 2796 N NH2 . ARG A 1 395 ? -6.894 -60.143 -14.740 1.00 52.82 ? 441 ARG A NH2 1 ATOM 2797 N N . ILE A 1 396 ? -4.665 -53.340 -14.927 1.00 28.69 ? 442 ILE A N 1 ATOM 2798 C CA . ILE A 1 396 ? -3.260 -53.353 -15.312 1.00 26.89 ? 442 ILE A CA 1 ATOM 2799 C C . ILE A 1 396 ? -2.493 -52.246 -14.587 1.00 24.43 ? 442 ILE A C 1 ATOM 2800 O O . ILE A 1 396 ? -1.417 -52.488 -14.021 1.00 24.60 ? 442 ILE A O 1 ATOM 2801 C CB . ILE A 1 396 ? -3.137 -53.241 -16.844 1.00 26.24 ? 442 ILE A CB 1 ATOM 2802 C CG1 . ILE A 1 396 ? -3.815 -54.425 -17.529 1.00 26.68 ? 442 ILE A CG1 1 ATOM 2803 C CG2 . ILE A 1 396 ? -1.687 -53.198 -17.266 1.00 25.91 ? 442 ILE A CG2 1 ATOM 2804 C CD1 . ILE A 1 396 ? -4.048 -54.223 -19.035 1.00 26.66 ? 442 ILE A CD1 1 ATOM 2805 N N . VAL A 1 397 ? -3.050 -51.030 -14.557 1.00 21.54 ? 443 VAL A N 1 ATOM 2806 C CA . VAL A 1 397 ? -2.398 -49.922 -13.859 1.00 22.35 ? 443 VAL A CA 1 ATOM 2807 C C . VAL A 1 397 ? -2.170 -50.261 -12.384 1.00 24.34 ? 443 VAL A C 1 ATOM 2808 O O . VAL A 1 397 ? -1.097 -49.987 -11.831 1.00 25.19 ? 443 VAL A O 1 ATOM 2809 C CB . VAL A 1 397 ? -3.211 -48.617 -14.027 1.00 21.57 ? 443 VAL A CB 1 ATOM 2810 C CG1 . VAL A 1 397 ? -2.771 -47.570 -13.015 1.00 20.85 ? 443 VAL A CG1 1 ATOM 2811 C CG2 . VAL A 1 397 ? -3.053 -48.048 -15.433 1.00 20.95 ? 443 VAL A CG2 1 ATOM 2812 N N . ALA A 1 398 ? -3.164 -50.867 -11.722 1.00 24.07 ? 444 ALA A N 1 ATOM 2813 C CA . ALA A 1 398 ? -2.998 -51.188 -10.305 1.00 22.91 ? 444 ALA A CA 1 ATOM 2814 C C . ALA A 1 398 ? -1.911 -52.238 -10.099 1.00 25.18 ? 444 ALA A C 1 ATOM 2815 O O . ALA A 1 398 ? -1.094 -52.126 -9.179 1.00 25.60 ? 444 ALA A O 1 ATOM 2816 C CB . ALA A 1 398 ? -4.324 -51.657 -9.706 1.00 20.76 ? 444 ALA A CB 1 ATOM 2817 N N . ARG A 1 399 ? -1.879 -53.261 -10.953 1.00 26.82 ? 445 ARG A N 1 ATOM 2818 C CA . ARG A 1 399 ? -0.837 -54.274 -10.850 1.00 27.63 ? 445 ARG A CA 1 ATOM 2819 C C . ARG A 1 399 ? 0.556 -53.663 -10.985 1.00 27.34 ? 445 ARG A C 1 ATOM 2820 O O . ARG A 1 399 ? 1.473 -54.024 -10.239 1.00 27.39 ? 445 ARG A O 1 ATOM 2821 C CB . ARG A 1 399 ? -1.058 -55.348 -11.914 1.00 28.58 ? 445 ARG A CB 1 ATOM 2822 C CG . ARG A 1 399 ? 0.091 -56.331 -12.066 1.00 28.92 ? 445 ARG A CG 1 ATOM 2823 C CD . ARG A 1 399 ? 0.408 -57.042 -10.743 1.00 28.87 ? 445 ARG A CD 1 ATOM 2824 N NE . ARG A 1 399 ? 1.479 -58.013 -10.943 1.00 29.35 ? 445 ARG A NE 1 ATOM 2825 C CZ . ARG A 1 399 ? 2.769 -57.701 -11.005 1.00 28.82 ? 445 ARG A CZ 1 ATOM 2826 N NH1 . ARG A 1 399 ? 3.166 -56.441 -10.862 1.00 27.74 ? 445 ARG A NH1 1 ATOM 2827 N NH2 . ARG A 1 399 ? 3.666 -58.653 -11.207 1.00 29.62 ? 445 ARG A NH2 1 ATOM 2828 N N . TYR A 1 400 ? 0.735 -52.727 -11.914 1.00 26.96 ? 446 TYR A N 1 ATOM 2829 C CA . TYR A 1 400 ? 2.065 -52.233 -12.258 1.00 27.54 ? 446 TYR A CA 1 ATOM 2830 C C . TYR A 1 400 ? 2.323 -50.824 -11.729 1.00 27.06 ? 446 TYR A C 1 ATOM 2831 O O . TYR A 1 400 ? 3.105 -50.061 -12.305 1.00 28.08 ? 446 TYR A O 1 ATOM 2832 C CB . TYR A 1 400 ? 2.282 -52.318 -13.768 1.00 28.68 ? 446 TYR A CB 1 ATOM 2833 C CG . TYR A 1 400 ? 2.315 -53.767 -14.246 1.00 30.39 ? 446 TYR A CG 1 ATOM 2834 C CD1 . TYR A 1 400 ? 3.414 -54.581 -13.966 1.00 31.02 ? 446 TYR A CD1 1 ATOM 2835 C CD2 . TYR A 1 400 ? 1.243 -54.330 -14.943 1.00 30.11 ? 446 TYR A CD2 1 ATOM 2836 C CE1 . TYR A 1 400 ? 3.449 -55.910 -14.370 1.00 31.89 ? 446 TYR A CE1 1 ATOM 2837 C CE2 . TYR A 1 400 ? 1.273 -55.656 -15.360 1.00 30.49 ? 446 TYR A CE2 1 ATOM 2838 C CZ . TYR A 1 400 ? 2.378 -56.446 -15.069 1.00 31.41 ? 446 TYR A CZ 1 ATOM 2839 O OH . TYR A 1 400 ? 2.432 -57.769 -15.468 1.00 31.07 ? 446 TYR A OH 1 ATOM 2840 N N . GLU A 1 401 ? 1.712 -50.494 -10.586 1.00 26.06 ? 447 GLU A N 1 ATOM 2841 C CA . GLU A 1 401 ? 1.841 -49.153 -10.020 1.00 26.53 ? 447 GLU A CA 1 ATOM 2842 C C . GLU A 1 401 ? 3.300 -48.761 -9.802 1.00 27.04 ? 447 GLU A C 1 ATOM 2843 O O . GLU A 1 401 ? 3.674 -47.608 -10.037 1.00 27.15 ? 447 GLU A O 1 ATOM 2844 C CB . GLU A 1 401 ? 1.058 -49.049 -8.703 1.00 26.91 ? 447 GLU A CB 1 ATOM 2845 C CG . GLU A 1 401 ? 1.366 -50.141 -7.679 1.00 28.06 ? 447 GLU A CG 1 ATOM 2846 C CD . GLU A 1 401 ? 0.584 -49.963 -6.392 1.00 28.89 ? 447 GLU A CD 1 ATOM 2847 O OE1 . GLU A 1 401 ? 0.709 -48.905 -5.739 1.00 28.65 ? 447 GLU A OE1 1 ATOM 2848 O OE2 . GLU A 1 401 ? -0.178 -50.878 -6.032 1.00 30.00 ? 447 GLU A OE2 1 ATOM 2849 N N . ASN A 1 402 ? 4.141 -49.691 -9.344 1.00 27.80 ? 448 ASN A N 1 ATOM 2850 C CA . ASN A 1 402 ? 5.542 -49.335 -9.108 1.00 28.43 ? 448 ASN A CA 1 ATOM 2851 C C . ASN A 1 402 ? 6.279 -49.038 -10.404 1.00 29.25 ? 448 ASN A C 1 ATOM 2852 O O . ASN A 1 402 ? 7.196 -48.205 -10.416 1.00 29.70 ? 448 ASN A O 1 ATOM 2853 C CB . ASN A 1 402 ? 6.276 -50.455 -8.379 1.00 29.10 ? 448 ASN A CB 1 ATOM 2854 C CG . ASN A 1 402 ? 5.876 -50.567 -6.940 1.00 29.62 ? 448 ASN A CG 1 ATOM 2855 O OD1 . ASN A 1 402 ? 4.852 -50.014 -6.516 1.00 30.56 ? 448 ASN A OD1 1 ATOM 2856 N ND2 . ASN A 1 402 ? 6.680 -51.290 -6.167 1.00 29.11 ? 448 ASN A ND2 1 ATOM 2857 N N . THR A 1 403 ? 5.903 -49.725 -11.490 1.00 29.12 ? 449 THR A N 1 ATOM 2858 C CA . THR A 1 403 ? 6.589 -49.681 -12.774 1.00 29.49 ? 449 THR A CA 1 ATOM 2859 C C . THR A 1 403 ? 6.090 -48.542 -13.655 1.00 30.40 ? 449 THR A C 1 ATOM 2860 O O . THR A 1 403 ? 6.893 -47.861 -14.305 1.00 29.81 ? 449 THR A O 1 ATOM 2861 C CB . THR A 1 403 ? 6.413 -51.021 -13.495 1.00 28.68 ? 449 THR A CB 1 ATOM 2862 O OG1 . THR A 1 403 ? 7.048 -52.063 -12.738 1.00 29.13 ? 449 THR A OG1 1 ATOM 2863 C CG2 . THR A 1 403 ? 6.999 -50.964 -14.902 1.00 27.59 ? 449 THR A CG2 1 ATOM 2864 N N . LEU A 1 404 ? 4.777 -48.329 -13.699 1.00 31.22 ? 450 LEU A N 1 ATOM 2865 C CA . LEU A 1 404 ? 4.229 -47.155 -14.365 1.00 31.17 ? 450 LEU A CA 1 ATOM 2866 C C . LEU A 1 404 ? 4.704 -45.895 -13.650 1.00 29.57 ? 450 LEU A C 1 ATOM 2867 O O . LEU A 1 404 ? 4.511 -45.757 -12.437 1.00 30.08 ? 450 LEU A O 1 ATOM 2868 C CB . LEU A 1 404 ? 2.708 -47.223 -14.372 1.00 31.89 ? 450 LEU A CB 1 ATOM 2869 C CG . LEU A 1 404 ? 2.096 -47.468 -15.736 1.00 36.23 ? 450 LEU A CG 1 ATOM 2870 C CD1 . LEU A 1 404 ? 0.578 -47.490 -15.607 1.00 39.93 ? 450 LEU A CD1 1 ATOM 2871 C CD2 . LEU A 1 404 ? 2.563 -46.402 -16.741 1.00 35.48 ? 450 LEU A CD2 1 ATOM 2872 N N . ALA A 1 405 ? 5.323 -44.976 -14.391 1.00 26.44 ? 451 ALA A N 1 ATOM 2873 C CA . ALA A 1 405 ? 5.796 -43.736 -13.796 1.00 25.02 ? 451 ALA A CA 1 ATOM 2874 C C . ALA A 1 405 ? 4.942 -42.534 -14.159 1.00 24.94 ? 451 ALA A C 1 ATOM 2875 O O . ALA A 1 405 ? 4.887 -41.571 -13.383 1.00 24.81 ? 451 ALA A O 1 ATOM 2876 C CB . ALA A 1 405 ? 7.244 -43.458 -14.213 1.00 25.65 ? 451 ALA A CB 1 ATOM 2877 N N . ALA A 1 406 ? 4.282 -42.561 -15.318 1.00 24.42 ? 452 ALA A N 1 ATOM 2878 C CA . ALA A 1 406 ? 3.510 -41.419 -15.788 1.00 23.22 ? 452 ALA A CA 1 ATOM 2879 C C . ALA A 1 406 ? 2.576 -41.865 -16.898 1.00 23.30 ? 452 ALA A C 1 ATOM 2880 O O . ALA A 1 406 ? 2.883 -42.790 -17.656 1.00 23.70 ? 452 ALA A O 1 ATOM 2881 C CB . ALA A 1 406 ? 4.419 -40.291 -16.287 1.00 22.94 ? 452 ALA A CB 1 ATOM 2882 N N . GLN A 1 407 ? 1.435 -41.185 -16.985 1.00 23.23 ? 453 GLN A N 1 ATOM 2883 C CA . GLN A 1 407 ? 0.420 -41.450 -17.998 1.00 23.66 ? 453 GLN A CA 1 ATOM 2884 C C . GLN A 1 407 ? -0.075 -40.135 -18.579 1.00 23.56 ? 453 GLN A C 1 ATOM 2885 O O . GLN A 1 407 ? -0.419 -39.214 -17.829 1.00 22.64 ? 453 GLN A O 1 ATOM 2886 C CB . GLN A 1 407 ? -0.761 -42.212 -17.415 1.00 22.42 ? 453 GLN A CB 1 ATOM 2887 C CG . GLN A 1 407 ? -0.447 -43.565 -16.886 1.00 21.79 ? 453 GLN A CG 1 ATOM 2888 C CD . GLN A 1 407 ? -1.696 -44.239 -16.413 1.00 22.77 ? 453 GLN A CD 1 ATOM 2889 O OE1 . GLN A 1 407 ? -2.597 -44.512 -17.199 1.00 24.63 ? 453 GLN A OE1 1 ATOM 2890 N NE2 . GLN A 1 407 ? -1.786 -44.470 -15.118 1.00 23.28 ? 453 GLN A NE2 1 ATOM 2891 N N . PHE A 1 408 ? -0.156 -40.065 -19.905 1.00 24.17 ? 454 PHE A N 1 ATOM 2892 C CA . PHE A 1 408 ? -0.475 -38.822 -20.591 1.00 23.58 ? 454 PHE A CA 1 ATOM 2893 C C . PHE A 1 408 ? -1.531 -39.065 -21.660 1.00 24.39 ? 454 PHE A C 1 ATOM 2894 O O . PHE A 1 408 ? -1.331 -39.887 -22.564 1.00 23.89 ? 454 PHE A O 1 ATOM 2895 C CB . PHE A 1 408 ? 0.767 -38.218 -21.240 1.00 21.85 ? 454 PHE A CB 1 ATOM 2896 C CG . PHE A 1 408 ? 1.927 -38.031 -20.308 1.00 20.37 ? 454 PHE A CG 1 ATOM 2897 C CD1 . PHE A 1 408 ? 2.873 -39.033 -20.148 1.00 20.38 ? 454 PHE A CD1 1 ATOM 2898 C CD2 . PHE A 1 408 ? 2.104 -36.837 -19.634 1.00 18.84 ? 454 PHE A CD2 1 ATOM 2899 C CE1 . PHE A 1 408 ? 3.970 -38.852 -19.313 1.00 19.72 ? 454 PHE A CE1 1 ATOM 2900 C CE2 . PHE A 1 408 ? 3.194 -36.648 -18.791 1.00 18.91 ? 454 PHE A CE2 1 ATOM 2901 C CZ . PHE A 1 408 ? 4.127 -37.656 -18.630 1.00 18.97 ? 454 PHE A CZ 1 ATOM 2902 N N . PHE A 1 409 ? -2.639 -38.323 -21.575 1.00 23.66 ? 455 PHE A N 1 ATOM 2903 C CA . PHE A 1 409 ? -3.720 -38.427 -22.547 1.00 22.06 ? 455 PHE A CA 1 ATOM 2904 C C . PHE A 1 409 ? -4.159 -37.023 -22.936 1.00 22.21 ? 455 PHE A C 1 ATOM 2905 O O . PHE A 1 409 ? -3.666 -36.027 -22.392 1.00 22.25 ? 455 PHE A O 1 ATOM 2906 C CB . PHE A 1 409 ? -4.873 -39.269 -21.983 1.00 20.40 ? 455 PHE A CB 1 ATOM 2907 C CG . PHE A 1 409 ? -4.468 -40.678 -21.667 1.00 19.81 ? 455 PHE A CG 1 ATOM 2908 C CD1 . PHE A 1 409 ? -3.925 -40.998 -20.428 1.00 18.17 ? 455 PHE A CD1 1 ATOM 2909 C CD2 . PHE A 1 409 ? -4.584 -41.676 -22.625 1.00 20.15 ? 455 PHE A CD2 1 ATOM 2910 C CE1 . PHE A 1 409 ? -3.521 -42.294 -20.148 1.00 18.17 ? 455 PHE A CE1 1 ATOM 2911 C CE2 . PHE A 1 409 ? -4.185 -42.975 -22.347 1.00 19.78 ? 455 PHE A CE2 1 ATOM 2912 C CZ . PHE A 1 409 ? -3.651 -43.284 -21.112 1.00 18.89 ? 455 PHE A CZ 1 ATOM 2913 N N . GLY A 1 410 ? -5.075 -36.950 -23.909 1.00 21.41 ? 456 GLY A N 1 ATOM 2914 C CA . GLY A 1 410 ? -5.703 -35.702 -24.300 1.00 22.00 ? 456 GLY A CA 1 ATOM 2915 C C . GLY A 1 410 ? -7.179 -35.896 -24.602 1.00 24.65 ? 456 GLY A C 1 ATOM 2916 O O . GLY A 1 410 ? -7.949 -36.316 -23.725 1.00 23.72 ? 456 GLY A O 1 ATOM 2917 N N . HIS A 1 411 ? -7.579 -35.567 -25.840 1.00 26.36 ? 457 HIS A N 1 ATOM 2918 C CA . HIS A 1 411 ? -8.903 -35.828 -26.406 1.00 27.81 ? 457 HIS A CA 1 ATOM 2919 C C . HIS A 1 411 ? -10.033 -34.993 -25.796 1.00 28.28 ? 457 HIS A C 1 ATOM 2920 O O . HIS A 1 411 ? -10.934 -34.564 -26.529 1.00 29.76 ? 457 HIS A O 1 ATOM 2921 C CB . HIS A 1 411 ? -9.246 -37.317 -26.310 1.00 28.92 ? 457 HIS A CB 1 ATOM 2922 C CG . HIS A 1 411 ? -10.618 -37.654 -26.808 1.00 31.40 ? 457 HIS A CG 1 ATOM 2923 N ND1 . HIS A 1 411 ? -10.955 -37.628 -28.141 1.00 34.38 ? 457 HIS A ND1 1 ATOM 2924 C CD2 . HIS A 1 411 ? -11.739 -38.024 -26.148 1.00 31.95 ? 457 HIS A CD2 1 ATOM 2925 C CE1 . HIS A 1 411 ? -12.223 -37.965 -28.283 1.00 32.54 ? 457 HIS A CE1 1 ATOM 2926 N NE2 . HIS A 1 411 ? -12.720 -38.212 -27.088 1.00 32.13 ? 457 HIS A NE2 1 ATOM 2927 N N . THR A 1 412 ? -10.025 -34.752 -24.479 1.00 25.90 ? 458 THR A N 1 ATOM 2928 C CA . THR A 1 412 ? -11.104 -33.955 -23.895 1.00 24.79 ? 458 THR A CA 1 ATOM 2929 C C . THR A 1 412 ? -10.971 -32.473 -24.214 1.00 26.36 ? 458 THR A C 1 ATOM 2930 O O . THR A 1 412 ? -11.955 -31.744 -24.070 1.00 27.41 ? 458 THR A O 1 ATOM 2931 C CB . THR A 1 412 ? -11.180 -34.125 -22.373 1.00 22.46 ? 458 THR A CB 1 ATOM 2932 O OG1 . THR A 1 412 ? -10.040 -33.504 -21.753 1.00 21.99 ? 458 THR A OG1 1 ATOM 2933 C CG2 . THR A 1 412 ? -11.256 -35.610 -21.988 1.00 20.78 ? 458 THR A CG2 1 ATOM 2934 N N . HIS A 1 413 ? -9.780 -32.018 -24.618 1.00 26.93 ? 459 HIS A N 1 ATOM 2935 C CA . HIS A 1 413 ? -9.487 -30.636 -25.012 1.00 28.69 ? 459 HIS A CA 1 ATOM 2936 C C . HIS A 1 413 ? -9.364 -29.698 -23.814 1.00 27.18 ? 459 HIS A C 1 ATOM 2937 O O . HIS A 1 413 ? -8.899 -28.562 -23.969 1.00 27.40 ? 459 HIS A O 1 ATOM 2938 C CB . HIS A 1 413 ? -10.524 -30.079 -26.005 1.00 30.41 ? 459 HIS A CB 1 ATOM 2939 C CG . HIS A 1 413 ? -10.422 -30.649 -27.392 1.00 32.69 ? 459 HIS A CG 1 ATOM 2940 N ND1 . HIS A 1 413 ? -11.050 -30.078 -28.478 1.00 33.71 ? 459 HIS A ND1 1 ATOM 2941 C CD2 . HIS A 1 413 ? -9.785 -31.745 -27.866 1.00 32.72 ? 459 HIS A CD2 1 ATOM 2942 C CE1 . HIS A 1 413 ? -10.800 -30.794 -29.558 1.00 34.08 ? 459 HIS A CE1 1 ATOM 2943 N NE2 . HIS A 1 413 ? -10.036 -31.812 -29.213 1.00 34.93 ? 459 HIS A NE2 1 ATOM 2944 N N . VAL A 1 414 ? -9.741 -30.159 -22.623 1.00 24.71 ? 460 VAL A N 1 ATOM 2945 C CA . VAL A 1 414 ? -9.679 -29.347 -21.416 1.00 23.60 ? 460 VAL A CA 1 ATOM 2946 C C . VAL A 1 414 ? -8.525 -29.842 -20.542 1.00 24.44 ? 460 VAL A C 1 ATOM 2947 O O . VAL A 1 414 ? -7.944 -30.900 -20.789 1.00 25.53 ? 460 VAL A O 1 ATOM 2948 C CB . VAL A 1 414 ? -11.021 -29.355 -20.651 1.00 20.51 ? 460 VAL A CB 1 ATOM 2949 C CG1 . VAL A 1 414 ? -12.099 -28.708 -21.507 1.00 18.47 ? 460 VAL A CG1 1 ATOM 2950 C CG2 . VAL A 1 414 ? -11.415 -30.770 -20.231 1.00 19.25 ? 460 VAL A CG2 1 ATOM 2951 N N . ASP A 1 415 ? -8.193 -29.059 -19.501 1.00 23.37 ? 461 ASP A N 1 ATOM 2952 C CA . ASP A 1 415 ? -7.050 -29.326 -18.623 1.00 21.31 ? 461 ASP A CA 1 ATOM 2953 C C . ASP A 1 415 ? -7.551 -30.005 -17.351 1.00 22.92 ? 461 ASP A C 1 ATOM 2954 O O . ASP A 1 415 ? -8.103 -29.341 -16.466 1.00 24.42 ? 461 ASP A O 1 ATOM 2955 C CB . ASP A 1 415 ? -6.314 -28.025 -18.298 1.00 19.35 ? 461 ASP A CB 1 ATOM 2956 C CG . ASP A 1 415 ? -5.017 -28.239 -17.512 1.00 18.49 ? 461 ASP A CG 1 ATOM 2957 O OD1 . ASP A 1 415 ? -4.781 -29.331 -16.955 1.00 17.58 ? 461 ASP A OD1 1 ATOM 2958 O OD2 . ASP A 1 415 ? -4.218 -27.284 -17.441 1.00 19.26 ? 461 ASP A OD2 1 ATOM 2959 N N . GLU A 1 416 ? -7.340 -31.315 -17.249 1.00 21.48 ? 462 GLU A N 1 ATOM 2960 C CA . GLU A 1 416 ? -7.860 -32.073 -16.111 1.00 20.11 ? 462 GLU A CA 1 ATOM 2961 C C . GLU A 1 416 ? -6.991 -33.324 -15.931 1.00 19.24 ? 462 GLU A C 1 ATOM 2962 O O . GLU A 1 416 ? -5.898 -33.420 -16.505 1.00 18.48 ? 462 GLU A O 1 ATOM 2963 C CB . GLU A 1 416 ? -9.352 -32.387 -16.321 1.00 19.19 ? 462 GLU A CB 1 ATOM 2964 C CG . GLU A 1 416 ? -9.601 -33.179 -17.589 1.00 19.93 ? 462 GLU A CG 1 ATOM 2965 C CD . GLU A 1 416 ? -11.062 -33.536 -17.834 1.00 22.19 ? 462 GLU A CD 1 ATOM 2966 O OE1 . GLU A 1 416 ? -11.880 -33.558 -16.886 1.00 22.60 ? 462 GLU A OE1 1 ATOM 2967 O OE2 . GLU A 1 416 ? -11.393 -33.814 -19.005 1.00 24.14 ? 462 GLU A OE2 1 ATOM 2968 N N . PHE A 1 417 ? -7.476 -34.284 -15.147 1.00 18.44 ? 463 PHE A N 1 ATOM 2969 C CA . PHE A 1 417 ? -6.671 -35.444 -14.788 1.00 18.02 ? 463 PHE A CA 1 ATOM 2970 C C . PHE A 1 417 ? -7.609 -36.571 -14.354 1.00 17.61 ? 463 PHE A C 1 ATOM 2971 O O . PHE A 1 417 ? -8.806 -36.362 -14.142 1.00 17.75 ? 463 PHE A O 1 ATOM 2972 C CB . PHE A 1 417 ? -5.648 -35.076 -13.690 1.00 17.19 ? 463 PHE A CB 1 ATOM 2973 C CG . PHE A 1 417 ? -6.271 -34.442 -12.459 1.00 17.06 ? 463 PHE A CG 1 ATOM 2974 C CD1 . PHE A 1 417 ? -6.721 -35.230 -11.401 1.00 17.11 ? 463 PHE A CD1 1 ATOM 2975 C CD2 . PHE A 1 417 ? -6.422 -33.063 -12.367 1.00 16.72 ? 463 PHE A CD2 1 ATOM 2976 C CE1 . PHE A 1 417 ? -7.304 -34.652 -10.263 1.00 17.08 ? 463 PHE A CE1 1 ATOM 2977 C CE2 . PHE A 1 417 ? -6.997 -32.477 -11.236 1.00 16.35 ? 463 PHE A CE2 1 ATOM 2978 C CZ . PHE A 1 417 ? -7.441 -33.274 -10.180 1.00 16.18 ? 463 PHE A CZ 1 ATOM 2979 N N . GLU A 1 418 ? -7.052 -37.777 -14.232 1.00 17.88 ? 464 GLU A N 1 ATOM 2980 C CA . GLU A 1 418 ? -7.800 -38.926 -13.723 1.00 19.50 ? 464 GLU A CA 1 ATOM 2981 C C . GLU A 1 418 ? -6.938 -39.664 -12.708 1.00 19.41 ? 464 GLU A C 1 ATOM 2982 O O . GLU A 1 418 ? -5.816 -40.071 -13.027 1.00 18.03 ? 464 GLU A O 1 ATOM 2983 C CB . GLU A 1 418 ? -8.221 -39.867 -14.857 1.00 20.95 ? 464 GLU A CB 1 ATOM 2984 C CG . GLU A 1 418 ? -9.321 -39.308 -15.768 1.00 22.65 ? 464 GLU A CG 1 ATOM 2985 C CD . GLU A 1 418 ? -9.709 -40.279 -16.891 1.00 23.73 ? 464 GLU A CD 1 ATOM 2986 O OE1 . GLU A 1 418 ? -8.973 -41.280 -17.091 1.00 23.71 ? 464 GLU A OE1 1 ATOM 2987 O OE2 . GLU A 1 418 ? -10.744 -40.042 -17.571 1.00 23.59 ? 464 GLU A OE2 1 ATOM 2988 N N . VAL A 1 419 ? -7.463 -39.839 -11.477 1.00 19.80 ? 465 VAL A N 1 ATOM 2989 C CA . VAL A 1 419 ? -6.730 -40.507 -10.405 1.00 19.72 ? 465 VAL A CA 1 ATOM 2990 C C . VAL A 1 419 ? -7.077 -41.993 -10.403 1.00 20.08 ? 465 VAL A C 1 ATOM 2991 O O . VAL A 1 419 ? -8.246 -42.373 -10.541 1.00 20.40 ? 465 VAL A O 1 ATOM 2992 C CB . VAL A 1 419 ? -7.040 -39.853 -9.041 1.00 19.06 ? 465 VAL A CB 1 ATOM 2993 C CG1 . VAL A 1 419 ? -6.204 -40.504 -7.921 1.00 19.04 ? 465 VAL A CG1 1 ATOM 2994 C CG2 . VAL A 1 419 ? -6.815 -38.342 -9.089 1.00 14.86 ? 465 VAL A CG2 1 ATOM 2995 N N . PHE A 1 420 ? -6.058 -42.842 -10.262 1.00 20.66 ? 466 PHE A N 1 ATOM 2996 C CA . PHE A 1 420 ? -6.234 -44.289 -10.175 1.00 20.22 ? 466 PHE A CA 1 ATOM 2997 C C . PHE A 1 420 ? -6.080 -44.747 -8.732 1.00 21.03 ? 466 PHE A C 1 ATOM 2998 O O . PHE A 1 420 ? -5.189 -44.278 -8.012 1.00 22.14 ? 466 PHE A O 1 ATOM 2999 C CB . PHE A 1 420 ? -5.211 -45.020 -11.041 1.00 20.79 ? 466 PHE A CB 1 ATOM 3000 C CG . PHE A 1 420 ? -5.409 -44.837 -12.524 1.00 21.59 ? 466 PHE A CG 1 ATOM 3001 C CD1 . PHE A 1 420 ? -5.022 -43.655 -13.152 1.00 21.20 ? 466 PHE A CD1 1 ATOM 3002 C CD2 . PHE A 1 420 ? -5.941 -45.864 -13.301 1.00 21.19 ? 466 PHE A CD2 1 ATOM 3003 C CE1 . PHE A 1 420 ? -5.190 -43.492 -14.527 1.00 21.09 ? 466 PHE A CE1 1 ATOM 3004 C CE2 . PHE A 1 420 ? -6.108 -45.708 -14.667 1.00 21.18 ? 466 PHE A CE2 1 ATOM 3005 C CZ . PHE A 1 420 ? -5.733 -44.518 -15.286 1.00 20.58 ? 466 PHE A CZ 1 ATOM 3006 N N . TYR A 1 421 ? -6.939 -45.672 -8.318 1.00 20.10 ? 467 TYR A N 1 ATOM 3007 C CA . TYR A 1 421 ? -6.906 -46.241 -6.980 1.00 22.12 ? 467 TYR A CA 1 ATOM 3008 C C . TYR A 1 421 ? -6.621 -47.741 -7.035 1.00 25.56 ? 467 TYR A C 1 ATOM 3009 O O . TYR A 1 421 ? -6.702 -48.383 -8.094 1.00 26.55 ? 467 TYR A O 1 ATOM 3010 C CB . TYR A 1 421 ? -8.228 -45.984 -6.247 1.00 22.58 ? 467 TYR A CB 1 ATOM 3011 C CG . TYR A 1 421 ? -8.455 -44.523 -5.970 1.00 21.62 ? 467 TYR A CG 1 ATOM 3012 C CD1 . TYR A 1 421 ? -8.941 -43.682 -6.959 1.00 21.31 ? 467 TYR A CD1 1 ATOM 3013 C CD2 . TYR A 1 421 ? -8.159 -43.979 -4.729 1.00 20.90 ? 467 TYR A CD2 1 ATOM 3014 C CE1 . TYR A 1 421 ? -9.140 -42.346 -6.716 1.00 21.31 ? 467 TYR A CE1 1 ATOM 3015 C CE2 . TYR A 1 421 ? -8.360 -42.637 -4.471 1.00 20.71 ? 467 TYR A CE2 1 ATOM 3016 C CZ . TYR A 1 421 ? -8.846 -41.827 -5.470 1.00 20.60 ? 467 TYR A CZ 1 ATOM 3017 O OH . TYR A 1 421 ? -9.045 -40.494 -5.229 1.00 19.69 ? 467 TYR A OH 1 ATOM 3018 N N . ASP A 1 422 ? -6.286 -48.295 -5.866 1.00 26.06 ? 468 ASP A N 1 ATOM 3019 C CA . ASP A 1 422 ? -6.142 -49.739 -5.728 1.00 28.23 ? 468 ASP A CA 1 ATOM 3020 C C . ASP A 1 422 ? -7.458 -50.457 -6.017 1.00 30.34 ? 468 ASP A C 1 ATOM 3021 O O . ASP A 1 422 ? -8.548 -49.972 -5.695 1.00 30.86 ? 468 ASP A O 1 ATOM 3022 C CB . ASP A 1 422 ? -5.663 -50.108 -4.317 1.00 28.61 ? 468 ASP A CB 1 ATOM 3023 C CG . ASP A 1 422 ? -6.693 -49.764 -3.226 1.00 28.22 ? 468 ASP A CG 1 ATOM 3024 O OD1 . ASP A 1 422 ? -7.091 -48.583 -3.115 1.00 27.24 ? 468 ASP A OD1 1 ATOM 3025 O OD2 . ASP A 1 422 ? -7.103 -50.683 -2.479 1.00 28.61 ? 468 ASP A OD2 1 ATOM 3026 N N . GLU A 1 423 ? -7.336 -51.654 -6.592 1.00 31.77 ? 469 GLU A N 1 ATOM 3027 C CA . GLU A 1 423 ? -8.499 -52.494 -6.878 1.00 33.37 ? 469 GLU A CA 1 ATOM 3028 C C . GLU A 1 423 ? -9.251 -52.907 -5.610 1.00 33.77 ? 469 GLU A C 1 ATOM 3029 O O . GLU A 1 423 ? -10.488 -52.966 -5.612 1.00 33.80 ? 469 GLU A O 1 ATOM 3030 C CB . GLU A 1 423 ? -8.043 -53.737 -7.641 1.00 35.87 ? 469 GLU A CB 1 ATOM 3031 C CG . GLU A 1 423 ? -7.673 -53.478 -9.073 1.00 38.32 ? 469 GLU A CG 1 ATOM 3032 C CD . GLU A 1 423 ? -8.896 -53.298 -9.938 1.00 42.93 ? 469 GLU A CD 1 ATOM 3033 O OE1 . GLU A 1 423 ? -10.015 -53.232 -9.381 1.00 45.16 ? 469 GLU A OE1 1 ATOM 3034 O OE2 . GLU A 1 423 ? -8.749 -53.224 -11.175 1.00 44.35 ? 469 GLU A OE2 1 ATOM 3035 N N . GLU A 1 424 ? -8.526 -53.212 -4.524 1.00 34.00 ? 470 GLU A N 1 ATOM 3036 C CA . GLU A 1 424 ? -9.143 -53.850 -3.357 1.00 37.69 ? 470 GLU A CA 1 ATOM 3037 C C . GLU A 1 424 ? -10.106 -52.919 -2.619 1.00 36.12 ? 470 GLU A C 1 ATOM 3038 O O . GLU A 1 424 ? -11.170 -53.355 -2.164 1.00 36.88 ? 470 GLU A O 1 ATOM 3039 C CB . GLU A 1 424 ? -8.067 -54.349 -2.380 1.00 41.42 ? 470 GLU A CB 1 ATOM 3040 C CG . GLU A 1 424 ? -7.084 -55.384 -2.920 1.00 44.37 ? 470 GLU A CG 1 ATOM 3041 C CD . GLU A 1 424 ? -5.963 -54.778 -3.759 1.00 45.41 ? 470 GLU A CD 1 ATOM 3042 O OE1 . GLU A 1 424 ? -6.114 -53.627 -4.245 1.00 46.06 ? 470 GLU A OE1 1 ATOM 3043 O OE2 . GLU A 1 424 ? -4.914 -55.448 -3.938 1.00 45.62 ? 470 GLU A OE2 1 ATOM 3044 N N . THR A 1 425 ? -9.741 -51.649 -2.450 1.00 33.74 ? 471 THR A N 1 ATOM 3045 C CA . THR A 1 425 ? -10.521 -50.733 -1.633 1.00 32.70 ? 471 THR A CA 1 ATOM 3046 C C . THR A 1 425 ? -10.949 -49.467 -2.359 1.00 30.66 ? 471 THR A C 1 ATOM 3047 O O . THR A 1 425 ? -11.738 -48.699 -1.800 1.00 29.96 ? 471 THR A O 1 ATOM 3048 C CB . THR A 1 425 ? -9.736 -50.335 -0.370 1.00 34.21 ? 471 THR A CB 1 ATOM 3049 O OG1 . THR A 1 425 ? -8.571 -49.577 -0.739 1.00 33.57 ? 471 THR A OG1 1 ATOM 3050 C CG2 . THR A 1 425 ? -9.297 -51.578 0.404 1.00 35.77 ? 471 THR A CG2 1 ATOM 3051 N N . LEU A 1 426 ? -10.470 -49.234 -3.583 1.00 30.61 ? 472 LEU A N 1 ATOM 3052 C CA . LEU A 1 426 ? -10.754 -48.000 -4.318 1.00 30.51 ? 472 LEU A CA 1 ATOM 3053 C C . LEU A 1 426 ? -10.558 -46.776 -3.430 1.00 29.66 ? 472 LEU A C 1 ATOM 3054 O O . LEU A 1 426 ? -11.366 -45.840 -3.427 1.00 31.26 ? 472 LEU A O 1 ATOM 3055 C CB . LEU A 1 426 ? -12.163 -48.021 -4.911 1.00 31.12 ? 472 LEU A CB 1 ATOM 3056 C CG . LEU A 1 426 ? -12.377 -49.094 -5.979 1.00 32.23 ? 472 LEU A CG 1 ATOM 3057 C CD1 . LEU A 1 426 ? -13.831 -49.128 -6.426 1.00 33.25 ? 472 LEU A CD1 1 ATOM 3058 C CD2 . LEU A 1 426 ? -11.436 -48.899 -7.180 1.00 30.49 ? 472 LEU A CD2 1 ATOM 3059 N N . SER A 1 427 ? -9.486 -46.786 -2.644 1.00 28.23 ? 473 SER A N 1 ATOM 3060 C CA . SER A 1 427 ? -9.255 -45.633 -1.786 1.00 27.98 ? 473 SER A CA 1 ATOM 3061 C C . SER A 1 427 ? -7.794 -45.238 -1.629 1.00 26.09 ? 473 SER A C 1 ATOM 3062 O O . SER A 1 427 ? -7.539 -44.139 -1.131 1.00 26.45 ? 473 SER A O 1 ATOM 3063 C CB . SER A 1 427 ? -9.887 -45.864 -0.402 1.00 30.23 ? 473 SER A CB 1 ATOM 3064 O OG . SER A 1 427 ? -9.449 -47.063 0.181 1.00 32.53 ? 473 SER A OG 1 ATOM 3065 N N . ARG A 1 428 ? -6.833 -46.052 -2.070 1.00 24.30 ? 474 ARG A N 1 ATOM 3066 C CA . ARG A 1 428 ? -5.428 -45.669 -2.036 1.00 22.53 ? 474 ARG A CA 1 ATOM 3067 C C . ARG A 1 428 ? -4.994 -45.151 -3.404 1.00 21.10 ? 474 ARG A C 1 ATOM 3068 O O . ARG A 1 428 ? -4.913 -45.942 -4.355 1.00 21.48 ? 474 ARG A O 1 ATOM 3069 C CB . ARG A 1 428 ? -4.564 -46.863 -1.621 1.00 22.64 ? 474 ARG A CB 1 ATOM 3070 C CG . ARG A 1 428 ? -3.061 -46.582 -1.612 1.00 21.09 ? 474 ARG A CG 1 ATOM 3071 C CD . ARG A 1 428 ? -2.251 -47.764 -1.099 1.00 22.02 ? 474 ARG A CD 1 ATOM 3072 N NE . ARG A 1 428 ? -2.371 -48.967 -1.932 1.00 23.94 ? 474 ARG A NE 1 ATOM 3073 C CZ . ARG A 1 428 ? -1.645 -49.206 -3.023 1.00 23.40 ? 474 ARG A CZ 1 ATOM 3074 N NH1 . ARG A 1 428 ? -1.810 -50.339 -3.704 1.00 23.34 ? 474 ARG A NH1 1 ATOM 3075 N NH2 . ARG A 1 428 ? -0.769 -48.297 -3.445 1.00 23.01 ? 474 ARG A NH2 1 ATOM 3076 N N . PRO A 1 429 ? -4.685 -43.860 -3.559 1.00 19.83 ? 475 PRO A N 1 ATOM 3077 C CA . PRO A 1 429 ? -4.286 -43.350 -4.882 1.00 19.29 ? 475 PRO A CA 1 ATOM 3078 C C . PRO A 1 429 ? -2.943 -43.933 -5.283 1.00 20.08 ? 475 PRO A C 1 ATOM 3079 O O . PRO A 1 429 ? -1.998 -43.916 -4.493 1.00 22.13 ? 475 PRO A O 1 ATOM 3080 C CB . PRO A 1 429 ? -4.188 -41.832 -4.671 1.00 17.04 ? 475 PRO A CB 1 ATOM 3081 C CG . PRO A 1 429 ? -4.667 -41.563 -3.275 1.00 16.38 ? 475 PRO A CG 1 ATOM 3082 C CD . PRO A 1 429 ? -4.527 -42.839 -2.512 1.00 18.14 ? 475 PRO A CD 1 ATOM 3083 N N . LEU A 1 430 ? -2.852 -44.448 -6.511 1.00 19.28 ? 476 LEU A N 1 ATOM 3084 C CA . LEU A 1 430 ? -1.612 -45.082 -6.946 1.00 20.10 ? 476 LEU A CA 1 ATOM 3085 C C . LEU A 1 430 ? -1.148 -44.689 -8.339 1.00 21.36 ? 476 LEU A C 1 ATOM 3086 O O . LEU A 1 430 ? -0.069 -45.128 -8.747 1.00 22.79 ? 476 LEU A O 1 ATOM 3087 C CB . LEU A 1 430 ? -1.730 -46.619 -6.874 1.00 20.44 ? 476 LEU A CB 1 ATOM 3088 C CG . LEU A 1 430 ? -2.949 -47.342 -7.474 1.00 21.00 ? 476 LEU A CG 1 ATOM 3089 C CD1 . LEU A 1 430 ? -2.985 -47.296 -9.001 1.00 16.14 ? 476 LEU A CD1 1 ATOM 3090 C CD2 . LEU A 1 430 ? -3.007 -48.799 -6.980 1.00 19.68 ? 476 LEU A CD2 1 ATOM 3091 N N . ALA A 1 431 ? -1.926 -43.912 -9.088 1.00 20.35 ? 477 ALA A N 1 ATOM 3092 C CA . ALA A 1 431 ? -1.499 -43.418 -10.388 1.00 18.41 ? 477 ALA A CA 1 ATOM 3093 C C . ALA A 1 431 ? -2.348 -42.197 -10.712 1.00 19.59 ? 477 ALA A C 1 ATOM 3094 O O . ALA A 1 431 ? -3.401 -41.977 -10.106 1.00 21.41 ? 477 ALA A O 1 ATOM 3095 C CB . ALA A 1 431 ? -1.616 -44.490 -11.479 1.00 16.31 ? 477 ALA A CB 1 ATOM 3096 N N . VAL A 1 432 ? -1.869 -41.388 -11.653 1.00 17.96 ? 478 VAL A N 1 ATOM 3097 C CA . VAL A 1 432 ? -2.631 -40.235 -12.119 1.00 16.86 ? 478 VAL A CA 1 ATOM 3098 C C . VAL A 1 432 ? -2.346 -40.040 -13.603 1.00 18.33 ? 478 VAL A C 1 ATOM 3099 O O . VAL A 1 432 ? -1.184 -40.046 -14.033 1.00 20.31 ? 478 VAL A O 1 ATOM 3100 C CB . VAL A 1 432 ? -2.326 -38.950 -11.312 1.00 15.46 ? 478 VAL A CB 1 ATOM 3101 C CG1 . VAL A 1 432 ? -0.835 -38.584 -11.354 1.00 13.72 ? 478 VAL A CG1 1 ATOM 3102 C CG2 . VAL A 1 432 ? -3.165 -37.786 -11.817 1.00 15.34 ? 478 VAL A CG2 1 ATOM 3103 N N . ALA A 1 433 ? -3.408 -39.896 -14.384 1.00 17.78 ? 479 ALA A N 1 ATOM 3104 C CA . ALA A 1 433 ? -3.300 -39.593 -15.800 1.00 18.54 ? 479 ALA A CA 1 ATOM 3105 C C . ALA A 1 433 ? -3.475 -38.097 -15.980 1.00 19.18 ? 479 ALA A C 1 ATOM 3106 O O . ALA A 1 433 ? -4.437 -37.521 -15.465 1.00 20.66 ? 479 ALA A O 1 ATOM 3107 C CB . ALA A 1 433 ? -4.347 -40.361 -16.612 1.00 16.86 ? 479 ALA A CB 1 ATOM 3108 N N . PHE A 1 434 ? -2.537 -37.470 -16.688 1.00 19.12 ? 480 PHE A N 1 ATOM 3109 C CA . PHE A 1 434 ? -2.631 -36.051 -17.006 1.00 19.75 ? 480 PHE A CA 1 ATOM 3110 C C . PHE A 1 434 ? -3.335 -35.883 -18.348 1.00 21.62 ? 480 PHE A C 1 ATOM 3111 O O . PHE A 1 434 ? -2.880 -36.418 -19.367 1.00 22.67 ? 480 PHE A O 1 ATOM 3112 C CB . PHE A 1 434 ? -1.251 -35.411 -17.040 1.00 19.42 ? 480 PHE A CB 1 ATOM 3113 C CG . PHE A 1 434 ? -0.529 -35.489 -15.743 1.00 20.70 ? 480 PHE A CG 1 ATOM 3114 C CD1 . PHE A 1 434 ? -0.923 -34.707 -14.662 1.00 20.70 ? 480 PHE A CD1 1 ATOM 3115 C CD2 . PHE A 1 434 ? 0.539 -36.358 -15.585 1.00 21.26 ? 480 PHE A CD2 1 ATOM 3116 C CE1 . PHE A 1 434 ? -0.249 -34.781 -13.447 1.00 20.12 ? 480 PHE A CE1 1 ATOM 3117 C CE2 . PHE A 1 434 ? 1.221 -36.431 -14.371 1.00 20.87 ? 480 PHE A CE2 1 ATOM 3118 C CZ . PHE A 1 434 ? 0.826 -35.643 -13.301 1.00 19.62 ? 480 PHE A CZ 1 ATOM 3119 N N . LEU A 1 435 ? -4.454 -35.153 -18.336 1.00 21.33 ? 481 LEU A N 1 ATOM 3120 C CA . LEU A 1 435 ? -5.245 -34.858 -19.531 1.00 21.29 ? 481 LEU A CA 1 ATOM 3121 C C . LEU A 1 435 ? -4.937 -33.414 -19.902 1.00 20.71 ? 481 LEU A C 1 ATOM 3122 O O . LEU A 1 435 ? -5.459 -32.479 -19.287 1.00 20.70 ? 481 LEU A O 1 ATOM 3123 C CB . LEU A 1 435 ? -6.736 -35.079 -19.281 1.00 20.83 ? 481 LEU A CB 1 ATOM 3124 C CG . LEU A 1 435 ? -7.290 -36.510 -19.376 1.00 21.78 ? 481 LEU A CG 1 ATOM 3125 C CD1 . LEU A 1 435 ? -6.490 -37.532 -18.560 1.00 20.90 ? 481 LEU A CD1 1 ATOM 3126 C CD2 . LEU A 1 435 ? -8.772 -36.555 -18.961 1.00 22.39 ? 481 LEU A CD2 1 ATOM 3127 N N . ALA A 1 436 ? -4.062 -33.241 -20.890 1.00 20.53 ? 482 ALA A N 1 ATOM 3128 C CA . ALA A 1 436 ? -3.600 -31.934 -21.318 1.00 20.08 ? 482 ALA A CA 1 ATOM 3129 C C . ALA A 1 436 ? -4.625 -31.304 -22.256 1.00 20.38 ? 482 ALA A C 1 ATOM 3130 O O . ALA A 1 436 ? -5.343 -32.010 -22.961 1.00 21.48 ? 482 ALA A O 1 ATOM 3131 C CB . ALA A 1 436 ? -2.255 -32.057 -22.011 1.00 20.63 ? 482 ALA A CB 1 ATOM 3132 N N . PRO A 1 437 ? -4.750 -29.986 -22.257 1.00 20.62 ? 483 PRO A N 1 ATOM 3133 C CA . PRO A 1 437 ? -5.784 -29.351 -23.079 1.00 21.20 ? 483 PRO A CA 1 ATOM 3134 C C . PRO A 1 437 ? -5.314 -29.178 -24.523 1.00 22.57 ? 483 PRO A C 1 ATOM 3135 O O . PRO A 1 437 ? -4.142 -29.379 -24.869 1.00 23.32 ? 483 PRO A O 1 ATOM 3136 C CB . PRO A 1 437 ? -6.023 -28.003 -22.388 1.00 20.89 ? 483 PRO A CB 1 ATOM 3137 C CG . PRO A 1 437 ? -4.784 -27.738 -21.579 1.00 21.18 ? 483 PRO A CG 1 ATOM 3138 C CD . PRO A 1 437 ? -3.994 -29.017 -21.440 1.00 20.53 ? 483 PRO A CD 1 ATOM 3139 N N . SER A 1 438 ? -6.260 -28.799 -25.379 1.00 22.39 ? 484 SER A N 1 ATOM 3140 C CA . SER A 1 438 ? -6.019 -28.858 -26.814 1.00 23.17 ? 484 SER A CA 1 ATOM 3141 C C . SER A 1 438 ? -5.279 -27.620 -27.316 1.00 24.91 ? 484 SER A C 1 ATOM 3142 O O . SER A 1 438 ? -5.354 -26.531 -26.730 1.00 25.87 ? 484 SER A O 1 ATOM 3143 C CB . SER A 1 438 ? -7.336 -28.998 -27.566 1.00 22.42 ? 484 SER A CB 1 ATOM 3144 O OG . SER A 1 438 ? -8.121 -27.841 -27.364 1.00 23.23 ? 484 SER A OG 1 ATOM 3145 N N . ALA A 1 439 ? -4.546 -27.801 -28.417 1.00 23.93 ? 485 ALA A N 1 ATOM 3146 C CA . ALA A 1 439 ? -4.042 -26.643 -29.133 1.00 22.97 ? 485 ALA A CA 1 ATOM 3147 C C . ALA A 1 439 ? -5.162 -25.950 -29.897 1.00 23.84 ? 485 ALA A C 1 ATOM 3148 O O . ALA A 1 439 ? -5.165 -24.724 -30.013 1.00 24.95 ? 485 ALA A O 1 ATOM 3149 C CB . ALA A 1 439 ? -2.907 -27.055 -30.072 1.00 22.38 ? 485 ALA A CB 1 ATOM 3150 N N . THR A 1 440 ? -6.134 -26.706 -30.398 1.00 23.08 ? 486 THR A N 1 ATOM 3151 C CA . THR A 1 440 ? -7.263 -26.088 -31.076 1.00 23.50 ? 486 THR A CA 1 ATOM 3152 C C . THR A 1 440 ? -8.158 -25.325 -30.102 1.00 22.81 ? 486 THR A C 1 ATOM 3153 O O . THR A 1 440 ? -8.227 -25.614 -28.909 1.00 20.96 ? 486 THR A O 1 ATOM 3154 C CB . THR A 1 440 ? -8.121 -27.126 -31.800 1.00 23.38 ? 486 THR A CB 1 ATOM 3155 O OG1 . THR A 1 440 ? -9.179 -26.447 -32.481 1.00 22.52 ? 486 THR A OG1 1 ATOM 3156 C CG2 . THR A 1 440 ? -8.750 -28.125 -30.792 1.00 20.79 ? 486 THR A CG2 1 ATOM 3157 N N . THR A 1 441 ? -8.877 -24.353 -30.661 1.00 23.85 ? 487 THR A N 1 ATOM 3158 C CA . THR A 1 441 ? -9.867 -23.577 -29.927 1.00 24.46 ? 487 THR A CA 1 ATOM 3159 C C . THR A 1 441 ? -11.122 -24.389 -29.636 1.00 24.39 ? 487 THR A C 1 ATOM 3160 O O . THR A 1 441 ? -11.849 -24.093 -28.679 1.00 24.02 ? 487 THR A O 1 ATOM 3161 C CB . THR A 1 441 ? -10.237 -22.329 -30.744 1.00 26.03 ? 487 THR A CB 1 ATOM 3162 O OG1 . THR A 1 441 ? -10.612 -22.717 -32.080 1.00 26.65 ? 487 THR A OG1 1 ATOM 3163 C CG2 . THR A 1 441 ? -9.062 -21.379 -30.827 1.00 25.28 ? 487 THR A CG2 1 ATOM 3164 N N . TYR A 1 442 ? -11.394 -25.394 -30.459 1.00 24.93 ? 488 TYR A N 1 ATOM 3165 C CA . TYR A 1 442 ? -12.617 -26.186 -30.412 1.00 25.71 ? 488 TYR A CA 1 ATOM 3166 C C . TYR A 1 442 ? -12.864 -26.835 -29.043 1.00 25.01 ? 488 TYR A C 1 ATOM 3167 O O . TYR A 1 442 ? -12.081 -27.692 -28.634 1.00 24.69 ? 488 TYR A O 1 ATOM 3168 C CB . TYR A 1 442 ? -12.525 -27.258 -31.501 1.00 27.16 ? 488 TYR A CB 1 ATOM 3169 C CG . TYR A 1 442 ? -13.794 -28.017 -31.780 1.00 29.06 ? 488 TYR A CG 1 ATOM 3170 C CD1 . TYR A 1 442 ? -14.151 -29.126 -31.013 1.00 30.05 ? 488 TYR A CD1 1 ATOM 3171 C CD2 . TYR A 1 442 ? -14.628 -27.642 -32.830 1.00 30.36 ? 488 TYR A CD2 1 ATOM 3172 C CE1 . TYR A 1 442 ? -15.316 -29.831 -31.273 1.00 30.94 ? 488 TYR A CE1 1 ATOM 3173 C CE2 . TYR A 1 442 ? -15.786 -28.335 -33.102 1.00 31.52 ? 488 TYR A CE2 1 ATOM 3174 C CZ . TYR A 1 442 ? -16.126 -29.430 -32.324 1.00 32.36 ? 488 TYR A CZ 1 ATOM 3175 O OH . TYR A 1 442 ? -17.287 -30.119 -32.604 1.00 34.82 ? 488 TYR A OH 1 ATOM 3176 N N . ILE A 1 443 ? -13.926 -26.453 -28.326 1.00 24.79 ? 489 ILE A N 1 ATOM 3177 C CA . ILE A 1 443 ? -14.858 -25.389 -28.698 1.00 25.31 ? 489 ILE A CA 1 ATOM 3178 C C . ILE A 1 443 ? -14.734 -24.204 -27.741 1.00 26.02 ? 489 ILE A C 1 ATOM 3179 O O . ILE A 1 443 ? -14.779 -24.385 -26.527 1.00 25.21 ? 489 ILE A O 1 ATOM 3180 C CB . ILE A 1 443 ? -16.318 -25.888 -28.683 1.00 25.07 ? 489 ILE A CB 1 ATOM 3181 C CG1 . ILE A 1 443 ? -16.559 -26.970 -29.728 1.00 25.14 ? 489 ILE A CG1 1 ATOM 3182 C CG2 . ILE A 1 443 ? -17.301 -24.735 -28.900 1.00 24.97 ? 489 ILE A CG2 1 ATOM 3183 C CD1 . ILE A 1 443 ? -17.980 -27.495 -29.673 1.00 23.73 ? 489 ILE A CD1 1 ATOM 3184 N N . GLY A 1 444 ? -14.584 -22.997 -28.287 1.00 26.95 ? 490 GLY A N 1 ATOM 3185 C CA . GLY A 1 444 ? -14.641 -21.785 -27.485 1.00 26.67 ? 490 GLY A CA 1 ATOM 3186 C C . GLY A 1 444 ? -13.478 -21.498 -26.553 1.00 26.62 ? 490 GLY A C 1 ATOM 3187 O O . GLY A 1 444 ? -13.645 -20.702 -25.626 1.00 28.19 ? 490 GLY A O 1 ATOM 3188 N N . LEU A 1 445 ? -12.299 -22.085 -26.766 1.00 25.51 ? 491 LEU A N 1 ATOM 3189 C CA . LEU A 1 445 ? -11.184 -21.905 -25.828 1.00 25.04 ? 491 LEU A CA 1 ATOM 3190 C C . LEU A 1 445 ? -10.000 -21.192 -26.476 1.00 24.75 ? 491 LEU A C 1 ATOM 3191 O O . LEU A 1 445 ? -9.901 -21.070 -27.702 1.00 24.12 ? 491 LEU A O 1 ATOM 3192 C CB . LEU A 1 445 ? -10.720 -23.253 -25.252 1.00 23.50 ? 491 LEU A CB 1 ATOM 3193 C CG . LEU A 1 445 ? -11.859 -23.966 -24.511 1.00 23.42 ? 491 LEU A CG 1 ATOM 3194 C CD1 . LEU A 1 445 ? -11.372 -25.135 -23.692 1.00 21.95 ? 491 LEU A CD1 1 ATOM 3195 C CD2 . LEU A 1 445 ? -12.650 -22.977 -23.635 1.00 24.16 ? 491 LEU A CD2 1 ATOM 3196 N N . ASN A 1 446 ? -9.092 -20.715 -25.625 1.00 25.03 ? 492 ASN A N 1 ATOM 3197 C CA . ASN A 1 446 ? -7.792 -20.288 -26.125 1.00 26.41 ? 492 ASN A CA 1 ATOM 3198 C C . ASN A 1 446 ? -6.999 -21.511 -26.596 1.00 25.83 ? 492 ASN A C 1 ATOM 3199 O O . ASN A 1 446 ? -7.177 -22.612 -26.075 1.00 25.67 ? 492 ASN A O 1 ATOM 3200 C CB . ASN A 1 446 ? -6.993 -19.545 -25.049 1.00 26.08 ? 492 ASN A CB 1 ATOM 3201 C CG . ASN A 1 446 ? -7.536 -18.153 -24.758 1.00 27.35 ? 492 ASN A CG 1 ATOM 3202 O OD1 . ASN A 1 446 ? -7.740 -17.343 -25.668 1.00 28.94 ? 492 ASN A OD1 1 ATOM 3203 N ND2 . ASN A 1 446 ? -7.744 -17.859 -23.477 1.00 26.43 ? 492 ASN A ND2 1 ATOM 3204 N N . PRO A 1 447 ? -6.153 -21.356 -27.610 1.00 25.29 ? 493 PRO A N 1 ATOM 3205 C CA . PRO A 1 447 ? -5.230 -22.446 -27.963 1.00 24.93 ? 493 PRO A CA 1 ATOM 3206 C C . PRO A 1 447 ? -4.245 -22.697 -26.830 1.00 25.24 ? 493 PRO A C 1 ATOM 3207 O O . PRO A 1 447 ? -3.804 -21.765 -26.153 1.00 26.39 ? 493 PRO A O 1 ATOM 3208 C CB . PRO A 1 447 ? -4.510 -21.921 -29.213 1.00 26.03 ? 493 PRO A CB 1 ATOM 3209 C CG . PRO A 1 447 ? -5.242 -20.703 -29.647 1.00 26.39 ? 493 PRO A CG 1 ATOM 3210 C CD . PRO A 1 447 ? -6.321 -20.367 -28.690 1.00 25.74 ? 493 PRO A CD 1 ATOM 3211 N N . GLY A 1 448 ? -3.888 -23.964 -26.620 1.00 24.35 ? 494 GLY A N 1 ATOM 3212 C CA . GLY A 1 448 ? -3.000 -24.282 -25.513 1.00 23.74 ? 494 GLY A CA 1 ATOM 3213 C C . GLY A 1 448 ? -1.997 -25.379 -25.808 1.00 22.93 ? 494 GLY A C 1 ATOM 3214 O O . GLY A 1 448 ? -2.146 -26.151 -26.758 1.00 23.23 ? 494 GLY A O 1 ATOM 3215 N N . TYR A 1 449 ? -0.965 -25.447 -24.964 1.00 21.94 ? 495 TYR A N 1 ATOM 3216 C CA . TYR A 1 449 ? -0.072 -26.602 -24.945 1.00 22.17 ? 495 TYR A CA 1 ATOM 3217 C C . TYR A 1 449 ? 0.606 -26.699 -23.582 1.00 23.50 ? 495 TYR A C 1 ATOM 3218 O O . TYR A 1 449 ? 0.418 -25.850 -22.704 1.00 23.74 ? 495 TYR A O 1 ATOM 3219 C CB . TYR A 1 449 ? 0.949 -26.552 -26.080 1.00 23.64 ? 495 TYR A CB 1 ATOM 3220 C CG . TYR A 1 449 ? 1.934 -25.417 -26.036 1.00 24.42 ? 495 TYR A CG 1 ATOM 3221 C CD1 . TYR A 1 449 ? 3.146 -25.535 -25.350 1.00 25.22 ? 495 TYR A CD1 1 ATOM 3222 C CD2 . TYR A 1 449 ? 1.680 -24.237 -26.719 1.00 25.36 ? 495 TYR A CD2 1 ATOM 3223 C CE1 . TYR A 1 449 ? 4.068 -24.491 -25.339 1.00 26.87 ? 495 TYR A CE1 1 ATOM 3224 C CE2 . TYR A 1 449 ? 2.591 -23.194 -26.712 1.00 27.69 ? 495 TYR A CE2 1 ATOM 3225 C CZ . TYR A 1 449 ? 3.780 -23.328 -26.026 1.00 28.08 ? 495 TYR A CZ 1 ATOM 3226 O OH . TYR A 1 449 ? 4.670 -22.283 -26.031 1.00 30.29 ? 495 TYR A OH 1 ATOM 3227 N N . ARG A 1 450 ? 1.425 -27.745 -23.430 1.00 23.23 ? 496 ARG A N 1 ATOM 3228 C CA . ARG A 1 450 ? 1.795 -28.290 -22.135 1.00 22.35 ? 496 ARG A CA 1 ATOM 3229 C C . ARG A 1 450 ? 3.274 -28.670 -22.131 1.00 23.74 ? 496 ARG A C 1 ATOM 3230 O O . ARG A 1 450 ? 3.836 -29.077 -23.154 1.00 24.00 ? 496 ARG A O 1 ATOM 3231 C CB . ARG A 1 450 ? 0.880 -29.495 -21.816 1.00 21.98 ? 496 ARG A CB 1 ATOM 3232 C CG . ARG A 1 450 ? 1.364 -30.481 -20.770 1.00 22.23 ? 496 ARG A CG 1 ATOM 3233 C CD . ARG A 1 450 ? 1.271 -29.972 -19.322 1.00 21.46 ? 496 ARG A CD 1 ATOM 3234 N NE . ARG A 1 450 ? 0.074 -29.180 -19.054 1.00 19.98 ? 496 ARG A NE 1 ATOM 3235 C CZ . ARG A 1 450 ? -1.054 -29.668 -18.539 1.00 19.26 ? 496 ARG A CZ 1 ATOM 3236 N NH1 . ARG A 1 450 ? -2.081 -28.860 -18.319 1.00 19.28 ? 496 ARG A NH1 1 ATOM 3237 N NH2 . ARG A 1 450 ? -1.171 -30.962 -18.260 1.00 17.60 ? 496 ARG A NH2 1 ATOM 3238 N N . VAL A 1 451 ? 3.909 -28.498 -20.970 1.00 23.57 ? 497 VAL A N 1 ATOM 3239 C CA . VAL A 1 451 ? 5.297 -28.889 -20.748 1.00 23.60 ? 497 VAL A CA 1 ATOM 3240 C C . VAL A 1 451 ? 5.370 -29.603 -19.402 1.00 23.31 ? 497 VAL A C 1 ATOM 3241 O O . VAL A 1 451 ? 4.819 -29.118 -18.406 1.00 23.11 ? 497 VAL A O 1 ATOM 3242 C CB . VAL A 1 451 ? 6.246 -27.670 -20.786 1.00 25.29 ? 497 VAL A CB 1 ATOM 3243 C CG1 . VAL A 1 451 ? 7.651 -28.050 -20.350 1.00 25.67 ? 497 VAL A CG1 1 ATOM 3244 C CG2 . VAL A 1 451 ? 6.298 -27.055 -22.193 1.00 26.46 ? 497 VAL A CG2 1 ATOM 3245 N N . TYR A 1 452 ? 6.027 -30.760 -19.375 1.00 23.09 ? 498 TYR A N 1 ATOM 3246 C CA . TYR A 1 452 ? 6.235 -31.524 -18.149 1.00 24.16 ? 498 TYR A CA 1 ATOM 3247 C C . TYR A 1 452 ? 7.700 -31.432 -17.739 1.00 27.39 ? 498 TYR A C 1 ATOM 3248 O O . TYR A 1 452 ? 8.596 -31.560 -18.584 1.00 28.10 ? 498 TYR A O 1 ATOM 3249 C CB . TYR A 1 452 ? 5.836 -33.005 -18.325 1.00 22.86 ? 498 TYR A CB 1 ATOM 3250 C CG . TYR A 1 452 ? 4.362 -33.191 -18.541 1.00 22.55 ? 498 TYR A CG 1 ATOM 3251 C CD1 . TYR A 1 452 ? 3.480 -33.132 -17.466 1.00 22.19 ? 498 TYR A CD1 1 ATOM 3252 C CD2 . TYR A 1 452 ? 3.839 -33.392 -19.821 1.00 22.05 ? 498 TYR A CD2 1 ATOM 3253 C CE1 . TYR A 1 452 ? 2.121 -33.261 -17.647 1.00 21.32 ? 498 TYR A CE1 1 ATOM 3254 C CE2 . TYR A 1 452 ? 2.479 -33.528 -20.015 1.00 21.08 ? 498 TYR A CE2 1 ATOM 3255 C CZ . TYR A 1 452 ? 1.621 -33.462 -18.918 1.00 20.50 ? 498 TYR A CZ 1 ATOM 3256 O OH . TYR A 1 452 ? 0.260 -33.584 -19.069 1.00 18.67 ? 498 TYR A OH 1 ATOM 3257 N N . GLN A 1 453 ? 7.939 -31.194 -16.450 1.00 29.03 ? 499 GLN A N 1 ATOM 3258 C CA . GLN A 1 453 ? 9.232 -31.467 -15.831 1.00 30.50 ? 499 GLN A CA 1 ATOM 3259 C C . GLN A 1 453 ? 9.159 -32.857 -15.223 1.00 27.33 ? 499 GLN A C 1 ATOM 3260 O O . GLN A 1 453 ? 8.255 -33.139 -14.435 1.00 25.63 ? 499 GLN A O 1 ATOM 3261 C CB . GLN A 1 453 ? 9.582 -30.439 -14.757 1.00 34.80 ? 499 GLN A CB 1 ATOM 3262 C CG . GLN A 1 453 ? 10.199 -29.174 -15.265 1.00 40.68 ? 499 GLN A CG 1 ATOM 3263 C CD . GLN A 1 453 ? 9.166 -28.145 -15.661 1.00 47.29 ? 499 GLN A CD 1 ATOM 3264 O OE1 . GLN A 1 453 ? 9.383 -27.374 -16.605 1.00 50.76 ? 499 GLN A OE1 1 ATOM 3265 N NE2 . GLN A 1 453 ? 8.034 -28.111 -14.925 1.00 47.36 ? 499 GLN A NE2 1 ATOM 3266 N N . ILE A 1 454 ? 10.096 -33.723 -15.595 1.00 26.70 ? 500 ILE A N 1 ATOM 3267 C CA . ILE A 1 454 ? 10.046 -35.131 -15.228 1.00 25.42 ? 500 ILE A CA 1 ATOM 3268 C C . ILE A 1 454 ? 11.378 -35.525 -14.612 1.00 27.75 ? 500 ILE A C 1 ATOM 3269 O O . ILE A 1 454 ? 12.440 -35.113 -15.096 1.00 28.09 ? 500 ILE A O 1 ATOM 3270 C CB . ILE A 1 454 ? 9.732 -36.015 -16.450 1.00 23.99 ? 500 ILE A CB 1 ATOM 3271 C CG1 . ILE A 1 454 ? 8.528 -35.445 -17.213 1.00 23.18 ? 500 ILE A CG1 1 ATOM 3272 C CG2 . ILE A 1 454 ? 9.525 -37.466 -16.018 1.00 21.80 ? 500 ILE A CG2 1 ATOM 3273 C CD1 . ILE A 1 454 ? 7.964 -36.392 -18.253 1.00 24.52 ? 500 ILE A CD1 1 ATOM 3274 N N . ASP A 1 455 ? 11.322 -36.310 -13.529 1.00 27.69 ? 501 ASP A N 1 ATOM 3275 C CA . ASP A 1 455 ? 12.536 -36.863 -12.933 1.00 26.62 ? 501 ASP A CA 1 ATOM 3276 C C . ASP A 1 455 ? 13.371 -37.534 -14.024 1.00 26.98 ? 501 ASP A C 1 ATOM 3277 O O . ASP A 1 455 ? 12.884 -38.404 -14.759 1.00 25.80 ? 501 ASP A O 1 ATOM 3278 C CB . ASP A 1 455 ? 12.169 -37.848 -11.820 1.00 24.57 ? 501 ASP A CB 1 ATOM 3279 C CG . ASP A 1 455 ? 13.337 -38.161 -10.889 1.00 24.48 ? 501 ASP A CG 1 ATOM 3280 O OD1 . ASP A 1 455 ? 14.361 -37.433 -10.869 1.00 24.67 ? 501 ASP A OD1 1 ATOM 3281 O OD2 . ASP A 1 455 ? 13.218 -39.165 -10.160 1.00 24.11 ? 501 ASP A OD2 1 ATOM 3282 N N . GLY A 1 456 ? 14.619 -37.110 -14.137 1.00 28.02 ? 502 GLY A N 1 ATOM 3283 C CA . GLY A 1 456 ? 15.323 -37.125 -15.401 1.00 30.12 ? 502 GLY A CA 1 ATOM 3284 C C . GLY A 1 456 ? 16.080 -38.390 -15.731 1.00 31.38 ? 502 GLY A C 1 ATOM 3285 O O . GLY A 1 456 ? 15.798 -39.481 -15.230 1.00 29.52 ? 502 GLY A O 1 ATOM 3286 N N . ASN A 1 457 ? 17.070 -38.215 -16.600 1.00 35.20 ? 503 ASN A N 1 ATOM 3287 C CA . ASN A 1 457 ? 17.817 -39.307 -17.212 1.00 38.86 ? 503 ASN A CA 1 ATOM 3288 C C . ASN A 1 457 ? 19.013 -39.638 -16.327 1.00 37.42 ? 503 ASN A C 1 ATOM 3289 O O . ASN A 1 457 ? 20.070 -39.017 -16.431 1.00 38.61 ? 503 ASN A O 1 ATOM 3290 C CB . ASN A 1 457 ? 18.238 -38.904 -18.621 1.00 44.06 ? 503 ASN A CB 1 ATOM 3291 C CG . ASN A 1 457 ? 19.144 -39.914 -19.280 1.00 49.55 ? 503 ASN A CG 1 ATOM 3292 O OD1 . ASN A 1 457 ? 19.105 -41.109 -18.979 1.00 47.39 ? 503 ASN A OD1 1 ATOM 3293 N ND2 . ASN A 1 457 ? 19.962 -39.433 -20.203 1.00 57.99 ? 503 ASN A ND2 1 ATOM 3294 N N . TYR A 1 458 ? 18.842 -40.617 -15.448 1.00 34.43 ? 504 TYR A N 1 ATOM 3295 C CA . TYR A 1 458 ? 19.930 -41.110 -14.617 1.00 32.79 ? 504 TYR A CA 1 ATOM 3296 C C . TYR A 1 458 ? 19.480 -42.423 -14.003 1.00 32.40 ? 504 TYR A C 1 ATOM 3297 O O . TYR A 1 458 ? 18.282 -42.695 -13.882 1.00 31.27 ? 504 TYR A O 1 ATOM 3298 C CB . TYR A 1 458 ? 20.334 -40.106 -13.525 1.00 31.19 ? 504 TYR A CB 1 ATOM 3299 C CG . TYR A 1 458 ? 19.249 -39.815 -12.504 1.00 29.91 ? 504 TYR A CG 1 ATOM 3300 C CD1 . TYR A 1 458 ? 18.307 -38.812 -12.730 1.00 29.40 ? 504 TYR A CD1 1 ATOM 3301 C CD2 . TYR A 1 458 ? 19.163 -40.543 -11.318 1.00 29.58 ? 504 TYR A CD2 1 ATOM 3302 C CE1 . TYR A 1 458 ? 17.316 -38.534 -11.800 1.00 29.54 ? 504 TYR A CE1 1 ATOM 3303 C CE2 . TYR A 1 458 ? 18.165 -40.281 -10.379 1.00 29.04 ? 504 TYR A CE2 1 ATOM 3304 C CZ . TYR A 1 458 ? 17.248 -39.275 -10.625 1.00 29.30 ? 504 TYR A CZ 1 ATOM 3305 O OH . TYR A 1 458 ? 16.254 -39.008 -9.713 1.00 27.94 ? 504 TYR A OH 1 ATOM 3306 N N . SER A 1 459 ? 20.456 -43.231 -13.613 1.00 34.90 ? 505 SER A N 1 ATOM 3307 C CA . SER A 1 459 ? 20.156 -44.542 -13.058 1.00 36.70 ? 505 SER A CA 1 ATOM 3308 C C . SER A 1 459 ? 19.493 -44.405 -11.690 1.00 36.09 ? 505 SER A C 1 ATOM 3309 O O . SER A 1 459 ? 19.964 -43.659 -10.824 1.00 36.24 ? 505 SER A O 1 ATOM 3310 C CB . SER A 1 459 ? 21.434 -45.371 -12.947 1.00 39.72 ? 505 SER A CB 1 ATOM 3311 O OG . SER A 1 459 ? 21.119 -46.702 -12.581 1.00 41.56 ? 505 SER A OG 1 ATOM 3312 N N . GLY A 1 460 ? 18.411 -45.149 -11.489 1.00 35.32 ? 506 GLY A N 1 ATOM 3313 C CA . GLY A 1 460 ? 17.631 -45.042 -10.280 1.00 33.34 ? 506 GLY A CA 1 ATOM 3314 C C . GLY A 1 460 ? 16.568 -43.968 -10.306 1.00 31.75 ? 506 GLY A C 1 ATOM 3315 O O . GLY A 1 460 ? 15.817 -43.844 -9.329 1.00 30.88 ? 506 GLY A O 1 ATOM 3316 N N . SER A 1 461 ? 16.481 -43.186 -11.383 1.00 30.92 ? 507 SER A N 1 ATOM 3317 C CA . SER A 1 461 ? 15.450 -42.163 -11.478 1.00 30.41 ? 507 SER A CA 1 ATOM 3318 C C . SER A 1 461 ? 14.060 -42.792 -11.423 1.00 28.95 ? 507 SER A C 1 ATOM 3319 O O . SER A 1 461 ? 13.838 -43.902 -11.912 1.00 29.96 ? 507 SER A O 1 ATOM 3320 C CB . SER A 1 461 ? 15.614 -41.361 -12.770 1.00 31.18 ? 507 SER A CB 1 ATOM 3321 O OG . SER A 1 461 ? 14.487 -40.540 -13.025 1.00 30.18 ? 507 SER A OG 1 ATOM 3322 N N . SER A 1 462 ? 13.123 -42.066 -10.802 1.00 26.34 ? 508 SER A N 1 ATOM 3323 C CA . SER A 1 462 ? 11.723 -42.474 -10.752 1.00 24.90 ? 508 SER A CA 1 ATOM 3324 C C . SER A 1 462 ? 10.973 -42.196 -12.047 1.00 24.22 ? 508 SER A C 1 ATOM 3325 O O . SER A 1 462 ? 9.907 -42.786 -12.260 1.00 22.94 ? 508 SER A O 1 ATOM 3326 C CB . SER A 1 462 ? 10.999 -41.741 -9.626 1.00 24.02 ? 508 SER A CB 1 ATOM 3327 O OG . SER A 1 462 ? 10.797 -40.382 -9.995 1.00 24.34 ? 508 SER A OG 1 ATOM 3328 N N . HIS A 1 463 ? 11.467 -41.271 -12.876 1.00 24.10 ? 509 HIS A N 1 ATOM 3329 C CA . HIS A 1 463 ? 10.875 -40.926 -14.170 1.00 24.06 ? 509 HIS A CA 1 ATOM 3330 C C . HIS A 1 463 ? 9.443 -40.405 -14.067 1.00 23.78 ? 509 HIS A C 1 ATOM 3331 O O . HIS A 1 463 ? 8.730 -40.362 -15.082 1.00 24.60 ? 509 HIS A O 1 ATOM 3332 C CB . HIS A 1 463 ? 10.942 -42.118 -15.122 1.00 24.23 ? 509 HIS A CB 1 ATOM 3333 C CG . HIS A 1 463 ? 12.340 -42.450 -15.528 1.00 27.01 ? 509 HIS A CG 1 ATOM 3334 N ND1 . HIS A 1 463 ? 13.016 -43.554 -15.053 1.00 27.97 ? 509 HIS A ND1 1 ATOM 3335 C CD2 . HIS A 1 463 ? 13.208 -41.796 -16.333 1.00 27.39 ? 509 HIS A CD2 1 ATOM 3336 C CE1 . HIS A 1 463 ? 14.235 -43.572 -15.562 1.00 28.62 ? 509 HIS A CE1 1 ATOM 3337 N NE2 . HIS A 1 463 ? 14.375 -42.516 -16.342 1.00 28.69 ? 509 HIS A NE2 1 ATOM 3338 N N . VAL A 1 464 ? 9.006 -39.979 -12.864 1.00 21.68 ? 510 VAL A N 1 ATOM 3339 C CA . VAL A 1 464 ? 7.658 -39.448 -12.675 1.00 20.91 ? 510 VAL A CA 1 ATOM 3340 C C . VAL A 1 464 ? 7.642 -37.960 -13.008 1.00 21.75 ? 510 VAL A C 1 ATOM 3341 O O . VAL A 1 464 ? 8.668 -37.269 -12.983 1.00 23.63 ? 510 VAL A O 1 ATOM 3342 C CB . VAL A 1 464 ? 7.105 -39.684 -11.239 1.00 19.46 ? 510 VAL A CB 1 ATOM 3343 C CG1 . VAL A 1 464 ? 7.265 -41.141 -10.804 1.00 18.72 ? 510 VAL A CG1 1 ATOM 3344 C CG2 . VAL A 1 464 ? 7.759 -38.729 -10.235 1.00 19.20 ? 510 VAL A CG2 1 ATOM 3345 N N . VAL A 1 465 ? 6.445 -37.456 -13.316 1.00 22.60 ? 511 VAL A N 1 ATOM 3346 C CA . VAL A 1 465 ? 6.242 -36.019 -13.459 1.00 22.33 ? 511 VAL A CA 1 ATOM 3347 C C . VAL A 1 465 ? 6.473 -35.344 -12.111 1.00 22.39 ? 511 VAL A C 1 ATOM 3348 O O . VAL A 1 465 ? 5.964 -35.792 -11.078 1.00 22.36 ? 511 VAL A O 1 ATOM 3349 C CB . VAL A 1 465 ? 4.829 -35.718 -13.994 1.00 20.16 ? 511 VAL A CB 1 ATOM 3350 C CG1 . VAL A 1 465 ? 4.605 -34.214 -14.078 1.00 19.24 ? 511 VAL A CG1 1 ATOM 3351 C CG2 . VAL A 1 465 ? 4.610 -36.357 -15.355 1.00 19.72 ? 511 VAL A CG2 1 ATOM 3352 N N . LEU A 1 466 ? 7.245 -34.260 -12.114 1.00 23.71 ? 512 LEU A N 1 ATOM 3353 C CA . LEU A 1 466 ? 7.483 -33.451 -10.922 1.00 23.83 ? 512 LEU A CA 1 ATOM 3354 C C . LEU A 1 466 ? 6.676 -32.168 -10.898 1.00 24.87 ? 512 LEU A C 1 ATOM 3355 O O . LEU A 1 466 ? 6.334 -31.680 -9.817 1.00 26.13 ? 512 LEU A O 1 ATOM 3356 C CB . LEU A 1 466 ? 8.960 -33.090 -10.809 1.00 24.93 ? 512 LEU A CB 1 ATOM 3357 C CG . LEU A 1 466 ? 9.889 -34.300 -10.893 1.00 26.47 ? 512 LEU A CG 1 ATOM 3358 C CD1 . LEU A 1 466 ? 11.287 -33.836 -11.225 1.00 22.61 ? 512 LEU A CD1 1 ATOM 3359 C CD2 . LEU A 1 466 ? 9.846 -35.130 -9.597 1.00 20.96 ? 512 LEU A CD2 1 ATOM 3360 N N . ASP A 1 467 ? 6.357 -31.621 -12.064 1.00 24.80 ? 513 ASP A N 1 ATOM 3361 C CA . ASP A 1 467 ? 5.594 -30.391 -12.182 1.00 23.46 ? 513 ASP A CA 1 ATOM 3362 C C . ASP A 1 467 ? 5.184 -30.291 -13.639 1.00 21.87 ? 513 ASP A C 1 ATOM 3363 O O . ASP A 1 467 ? 5.736 -30.982 -14.495 1.00 22.85 ? 513 ASP A O 1 ATOM 3364 C CB . ASP A 1 467 ? 6.415 -29.164 -11.747 1.00 24.02 ? 513 ASP A CB 1 ATOM 3365 C CG . ASP A 1 467 ? 5.541 -27.994 -11.310 1.00 25.15 ? 513 ASP A CG 1 ATOM 3366 O OD1 . ASP A 1 467 ? 4.302 -28.087 -11.432 1.00 24.55 ? 513 ASP A OD1 1 ATOM 3367 O OD2 . ASP A 1 467 ? 6.096 -26.969 -10.850 1.00 27.33 ? 513 ASP A OD2 1 ATOM 3368 N N . HIS A 1 468 ? 4.213 -29.432 -13.923 1.00 20.80 ? 514 HIS A N 1 ATOM 3369 C CA . HIS A 1 468 ? 3.897 -29.173 -15.312 1.00 22.85 ? 514 HIS A CA 1 ATOM 3370 C C . HIS A 1 468 ? 3.450 -27.726 -15.467 1.00 25.71 ? 514 HIS A C 1 ATOM 3371 O O . HIS A 1 468 ? 3.156 -27.029 -14.486 1.00 23.89 ? 514 HIS A O 1 ATOM 3372 C CB . HIS A 1 468 ? 2.881 -30.202 -15.876 1.00 21.73 ? 514 HIS A CB 1 ATOM 3373 C CG . HIS A 1 468 ? 1.491 -30.137 -15.310 1.00 21.57 ? 514 HIS A CG 1 ATOM 3374 N ND1 . HIS A 1 468 ? 0.643 -29.069 -15.523 1.00 21.86 ? 514 HIS A ND1 1 ATOM 3375 C CD2 . HIS A 1 468 ? 0.760 -31.063 -14.639 1.00 21.39 ? 514 HIS A CD2 1 ATOM 3376 C CE1 . HIS A 1 468 ? -0.534 -29.323 -14.972 1.00 20.98 ? 514 HIS A CE1 1 ATOM 3377 N NE2 . HIS A 1 468 ? -0.489 -30.526 -14.425 1.00 20.21 ? 514 HIS A NE2 1 ATOM 3378 N N . GLU A 1 469 ? 3.458 -27.289 -16.721 1.00 28.27 ? 515 GLU A N 1 ATOM 3379 C CA . GLU A 1 469 ? 3.125 -25.938 -17.138 1.00 31.75 ? 515 GLU A CA 1 ATOM 3380 C C . GLU A 1 469 ? 2.277 -25.891 -18.356 1.00 30.30 ? 515 GLU A C 1 ATOM 3381 O O . GLU A 1 469 ? 2.351 -26.721 -19.189 1.00 31.65 ? 515 GLU A O 1 ATOM 3382 C CB . GLU A 1 469 ? 4.359 -25.150 -17.467 1.00 36.97 ? 515 GLU A CB 1 ATOM 3383 C CG . GLU A 1 469 ? 5.360 -25.064 -16.371 1.00 42.10 ? 515 GLU A CG 1 ATOM 3384 C CD . GLU A 1 469 ? 6.638 -25.637 -16.822 1.00 48.39 ? 515 GLU A CD 1 ATOM 3385 O OE1 . GLU A 1 469 ? 7.378 -24.908 -17.465 1.00 49.79 ? 515 GLU A OE1 1 ATOM 3386 O OE2 . GLU A 1 469 ? 6.878 -26.818 -16.575 1.00 52.44 ? 515 GLU A OE2 1 ATOM 3387 N N . THR A 1 470 ? 1.467 -24.870 -18.459 1.00 27.38 ? 516 THR A N 1 ATOM 3388 C CA . THR A 1 470 ? 0.557 -24.755 -19.583 1.00 25.34 ? 516 THR A CA 1 ATOM 3389 C C . THR A 1 470 ? 0.699 -23.371 -20.192 1.00 27.48 ? 516 THR A C 1 ATOM 3390 O O . THR A 1 470 ? 0.775 -22.369 -19.464 1.00 28.29 ? 516 THR A O 1 ATOM 3391 C CB . THR A 1 470 ? -0.881 -25.049 -19.145 1.00 21.70 ? 516 THR A CB 1 ATOM 3392 O OG1 . THR A 1 470 ? -0.928 -26.357 -18.552 1.00 20.27 ? 516 THR A OG1 1 ATOM 3393 C CG2 . THR A 1 470 ? -1.836 -24.987 -20.331 1.00 20.18 ? 516 THR A CG2 1 ATOM 3394 N N . TYR A 1 471 ? 0.787 -23.340 -21.528 1.00 26.81 ? 517 TYR A N 1 ATOM 3395 C CA . TYR A 1 471 ? 0.933 -22.130 -22.324 1.00 25.69 ? 517 TYR A CA 1 ATOM 3396 C C . TYR A 1 471 ? -0.321 -21.925 -23.163 1.00 25.53 ? 517 TYR A C 1 ATOM 3397 O O . TYR A 1 471 ? -0.927 -22.890 -23.644 1.00 24.32 ? 517 TYR A O 1 ATOM 3398 C CB . TYR A 1 471 ? 2.179 -22.208 -23.221 1.00 24.84 ? 517 TYR A CB 1 ATOM 3399 C CG . TYR A 1 471 ? 3.455 -22.260 -22.410 1.00 25.10 ? 517 TYR A CG 1 ATOM 3400 C CD1 . TYR A 1 471 ? 3.880 -23.452 -21.834 1.00 24.40 ? 517 TYR A CD1 1 ATOM 3401 C CD2 . TYR A 1 471 ? 4.216 -21.108 -22.184 1.00 25.59 ? 517 TYR A CD2 1 ATOM 3402 C CE1 . TYR A 1 471 ? 5.025 -23.509 -21.066 1.00 25.15 ? 517 TYR A CE1 1 ATOM 3403 C CE2 . TYR A 1 471 ? 5.372 -21.154 -21.412 1.00 25.82 ? 517 TYR A CE2 1 ATOM 3404 C CZ . TYR A 1 471 ? 5.766 -22.364 -20.857 1.00 26.36 ? 517 TYR A CZ 1 ATOM 3405 O OH . TYR A 1 471 ? 6.901 -22.461 -20.091 1.00 27.68 ? 517 TYR A OH 1 ATOM 3406 N N . ILE A 1 472 ? -0.729 -20.669 -23.323 1.00 25.91 ? 518 ILE A N 1 ATOM 3407 C CA . ILE A 1 472 ? -1.906 -20.369 -24.118 1.00 26.14 ? 518 ILE A CA 1 ATOM 3408 C C . ILE A 1 472 ? -1.600 -19.199 -25.036 1.00 26.60 ? 518 ILE A C 1 ATOM 3409 O O . ILE A 1 472 ? -0.678 -18.413 -24.804 1.00 26.13 ? 518 ILE A O 1 ATOM 3410 C CB . ILE A 1 472 ? -3.154 -20.038 -23.263 1.00 26.65 ? 518 ILE A CB 1 ATOM 3411 C CG1 . ILE A 1 472 ? -2.987 -18.665 -22.598 1.00 27.47 ? 518 ILE A CG1 1 ATOM 3412 C CG2 . ILE A 1 472 ? -3.490 -21.193 -22.277 1.00 24.80 ? 518 ILE A CG2 1 ATOM 3413 C CD1 . ILE A 1 472 ? -4.291 -18.026 -22.181 1.00 28.05 ? 518 ILE A CD1 1 ATOM 3414 N N . LEU A 1 473 ? -2.405 -19.094 -26.086 1.00 27.11 ? 519 LEU A N 1 ATOM 3415 C CA . LEU A 1 473 ? -2.467 -17.901 -26.911 1.00 29.04 ? 519 LEU A CA 1 ATOM 3416 C C . LEU A 1 473 ? -3.776 -17.189 -26.582 1.00 32.66 ? 519 LEU A C 1 ATOM 3417 O O . LEU A 1 473 ? -4.855 -17.728 -26.846 1.00 33.62 ? 519 LEU A O 1 ATOM 3418 C CB . LEU A 1 473 ? -2.365 -18.267 -28.387 1.00 28.71 ? 519 LEU A CB 1 ATOM 3419 C CG . LEU A 1 473 ? -2.507 -17.038 -29.290 1.00 29.23 ? 519 LEU A CG 1 ATOM 3420 C CD1 . LEU A 1 473 ? -1.288 -16.110 -29.102 1.00 28.85 ? 519 LEU A CD1 1 ATOM 3421 C CD2 . LEU A 1 473 ? -2.677 -17.443 -30.742 1.00 28.97 ? 519 LEU A CD2 1 ATOM 3422 N N . ASN A 1 474 ? -3.682 -15.992 -25.986 1.00 35.91 ? 520 ASN A N 1 ATOM 3423 C CA . ASN A 1 474 ? -4.865 -15.188 -25.662 1.00 39.25 ? 520 ASN A CA 1 ATOM 3424 C C . ASN A 1 474 ? -5.429 -14.588 -26.949 1.00 39.59 ? 520 ASN A C 1 ATOM 3425 O O . ASN A 1 474 ? -4.948 -13.558 -27.437 1.00 42.12 ? 520 ASN A O 1 ATOM 3426 C CB . ASN A 1 474 ? -4.533 -14.094 -24.652 1.00 43.34 ? 520 ASN A CB 1 ATOM 3427 C CG . ASN A 1 474 ? -5.783 -13.462 -24.036 1.00 48.66 ? 520 ASN A CG 1 ATOM 3428 O OD1 . ASN A 1 474 ? -6.903 -13.660 -24.522 1.00 47.20 ? 520 ASN A OD1 1 ATOM 3429 N ND2 . ASN A 1 474 ? -5.586 -12.697 -22.974 1.00 56.18 ? 520 ASN A ND2 1 ATOM 3430 N N . LEU A 1 475 ? -6.449 -15.239 -27.513 1.00 35.85 ? 521 LEU A N 1 ATOM 3431 C CA . LEU A 1 475 ? -6.959 -14.787 -28.800 1.00 34.97 ? 521 LEU A CA 1 ATOM 3432 C C . LEU A 1 475 ? -7.504 -13.366 -28.725 1.00 34.26 ? 521 LEU A C 1 ATOM 3433 O O . LEU A 1 475 ? -7.334 -12.590 -29.672 1.00 35.16 ? 521 LEU A O 1 ATOM 3434 C CB . LEU A 1 475 ? -8.024 -15.747 -29.336 1.00 33.96 ? 521 LEU A CB 1 ATOM 3435 C CG . LEU A 1 475 ? -7.569 -17.124 -29.838 1.00 32.66 ? 521 LEU A CG 1 ATOM 3436 C CD1 . LEU A 1 475 ? -8.795 -17.875 -30.308 1.00 26.35 ? 521 LEU A CD1 1 ATOM 3437 C CD2 . LEU A 1 475 ? -6.539 -17.034 -30.955 1.00 33.57 ? 521 LEU A CD2 1 ATOM 3438 N N . THR A 1 476 ? -8.120 -12.999 -27.600 1.00 33.45 ? 522 THR A N 1 ATOM 3439 C CA . THR A 1 476 ? -8.617 -11.639 -27.418 1.00 35.51 ? 522 THR A CA 1 ATOM 3440 C C . THR A 1 476 ? -7.529 -10.606 -27.697 1.00 37.63 ? 522 THR A C 1 ATOM 3441 O O . THR A 1 476 ? -7.796 -9.553 -28.284 1.00 40.14 ? 522 THR A O 1 ATOM 3442 C CB . THR A 1 476 ? -9.158 -11.480 -25.998 1.00 36.22 ? 522 THR A CB 1 ATOM 3443 O OG1 . THR A 1 476 ? -10.274 -12.353 -25.813 1.00 37.81 ? 522 THR A OG1 1 ATOM 3444 C CG2 . THR A 1 476 ? -9.600 -10.054 -25.751 1.00 36.09 ? 522 THR A CG2 1 ATOM 3445 N N . GLN A 1 477 ? -6.294 -10.889 -27.287 1.00 37.09 ? 523 GLN A N 1 ATOM 3446 C CA . GLN A 1 477 ? -5.183 -9.992 -27.584 1.00 37.64 ? 523 GLN A CA 1 ATOM 3447 C C . GLN A 1 477 ? -4.523 -10.302 -28.919 1.00 37.20 ? 523 GLN A C 1 ATOM 3448 O O . GLN A 1 477 ? -4.102 -9.377 -29.620 1.00 38.81 ? 523 GLN A O 1 ATOM 3449 C CB . GLN A 1 477 ? -4.120 -10.057 -26.477 1.00 37.00 ? 523 GLN A CB 1 ATOM 3450 C CG . GLN A 1 477 ? -4.677 -9.888 -25.085 1.00 37.20 ? 523 GLN A CG 1 ATOM 3451 C CD . GLN A 1 477 ? -3.609 -9.823 -24.011 1.00 37.73 ? 523 GLN A CD 1 ATOM 3452 O OE1 . GLN A 1 477 ? -3.735 -9.067 -23.045 1.00 39.25 ? 523 GLN A OE1 1 ATOM 3453 N NE2 . GLN A 1 477 ? -2.555 -10.635 -24.168 1.00 36.56 ? 523 GLN A NE2 1 ATOM 3454 N N . ALA A 1 478 ? -4.410 -11.582 -29.281 1.00 35.19 ? 524 ALA A N 1 ATOM 3455 C CA . ALA A 1 478 ? -3.693 -11.930 -30.500 1.00 34.92 ? 524 ALA A CA 1 ATOM 3456 C C . ALA A 1 478 ? -4.426 -11.446 -31.739 1.00 36.23 ? 524 ALA A C 1 ATOM 3457 O O . ALA A 1 478 ? -3.785 -11.074 -32.725 1.00 37.59 ? 524 ALA A O 1 ATOM 3458 C CB . ALA A 1 478 ? -3.472 -13.439 -30.567 1.00 29.95 ? 524 ALA A CB 1 ATOM 3459 N N . ASN A 1 479 ? -5.757 -11.433 -31.707 1.00 36.88 ? 525 ASN A N 1 ATOM 3460 C CA . ASN A 1 479 ? -6.556 -11.133 -32.889 1.00 37.37 ? 525 ASN A CA 1 ATOM 3461 C C . ASN A 1 479 ? -6.721 -9.636 -33.136 1.00 38.59 ? 525 ASN A C 1 ATOM 3462 O O . ASN A 1 479 ? -7.408 -9.259 -34.091 1.00 39.66 ? 525 ASN A O 1 ATOM 3463 C CB . ASN A 1 479 ? -7.935 -11.797 -32.779 1.00 35.63 ? 525 ASN A CB 1 ATOM 3464 C CG . ASN A 1 479 ? -7.921 -13.277 -33.163 1.00 34.36 ? 525 ASN A CG 1 ATOM 3465 O OD1 . ASN A 1 479 ? -7.073 -13.727 -33.948 1.00 34.10 ? 525 ASN A OD1 1 ATOM 3466 N ND2 . ASN A 1 479 ? -8.887 -14.037 -32.628 1.00 31.06 ? 525 ASN A ND2 1 ATOM 3467 N N . ILE A 1 480 ? -6.133 -8.783 -32.302 1.00 39.08 ? 526 ILE A N 1 ATOM 3468 C CA . ILE A 1 480 ? -6.135 -7.341 -32.539 1.00 41.19 ? 526 ILE A CA 1 ATOM 3469 C C . ILE A 1 480 ? -5.382 -7.097 -33.838 1.00 41.93 ? 526 ILE A C 1 ATOM 3470 O O . ILE A 1 480 ? -4.237 -7.544 -33.977 1.00 41.52 ? 526 ILE A O 1 ATOM 3471 C CB . ILE A 1 480 ? -5.496 -6.563 -31.377 1.00 41.40 ? 526 ILE A CB 1 ATOM 3472 C CG1 . ILE A 1 480 ? -6.445 -6.476 -30.184 1.00 37.16 ? 526 ILE A CG1 1 ATOM 3473 C CG2 . ILE A 1 480 ? -5.070 -5.173 -31.841 1.00 39.96 ? 526 ILE A CG2 1 ATOM 3474 C CD1 . ILE A 1 480 ? -5.775 -5.924 -28.941 1.00 39.38 ? 526 ILE A CD1 1 ATOM 3475 N N . PRO A 1 481 ? -5.982 -6.416 -34.807 1.00 42.85 ? 527 PRO A N 1 ATOM 3476 C CA . PRO A 1 481 ? -5.341 -6.273 -36.118 1.00 44.91 ? 527 PRO A CA 1 ATOM 3477 C C . PRO A 1 481 ? -3.917 -5.751 -35.999 1.00 47.32 ? 527 PRO A C 1 ATOM 3478 O O . PRO A 1 481 ? -3.653 -4.764 -35.304 1.00 48.74 ? 527 PRO A O 1 ATOM 3479 C CB . PRO A 1 481 ? -6.255 -5.282 -36.848 1.00 45.89 ? 527 PRO A CB 1 ATOM 3480 C CG . PRO A 1 481 ? -7.575 -5.386 -36.137 1.00 44.98 ? 527 PRO A CG 1 ATOM 3481 C CD . PRO A 1 481 ? -7.256 -5.688 -34.714 1.00 43.38 ? 527 PRO A CD 1 ATOM 3482 N N . GLY A 1 482 ? -2.988 -6.451 -36.660 1.00 47.74 ? 528 GLY A N 1 ATOM 3483 C CA . GLY A 1 482 ? -1.584 -6.090 -36.658 1.00 48.94 ? 528 GLY A CA 1 ATOM 3484 C C . GLY A 1 482 ? -0.773 -6.610 -35.489 1.00 47.83 ? 528 GLY A C 1 ATOM 3485 O O . GLY A 1 482 ? 0.462 -6.492 -35.510 1.00 47.90 ? 528 GLY A O 1 ATOM 3486 N N . ALA A 1 483 ? -1.415 -7.163 -34.464 1.00 46.50 ? 529 ALA A N 1 ATOM 3487 C CA . ALA A 1 483 ? -0.676 -7.739 -33.354 1.00 45.02 ? 529 ALA A CA 1 ATOM 3488 C C . ALA A 1 483 ? 0.084 -8.979 -33.813 1.00 45.00 ? 529 ALA A C 1 ATOM 3489 O O . ALA A 1 483 ? -0.294 -9.647 -34.782 1.00 45.51 ? 529 ALA A O 1 ATOM 3490 C CB . ALA A 1 483 ? -1.619 -8.089 -32.202 1.00 42.54 ? 529 ALA A CB 1 ATOM 3491 N N . ILE A 1 484 ? 1.174 -9.266 -33.121 1.00 44.68 ? 530 ILE A N 1 ATOM 3492 C CA . ILE A 1 484 ? 1.981 -10.463 -33.347 1.00 43.61 ? 530 ILE A CA 1 ATOM 3493 C C . ILE A 1 484 ? 1.726 -11.419 -32.192 1.00 40.62 ? 530 ILE A C 1 ATOM 3494 O O . ILE A 1 484 ? 1.839 -11.012 -31.031 1.00 39.12 ? 530 ILE A O 1 ATOM 3495 C CB . ILE A 1 484 ? 3.481 -10.123 -33.472 1.00 44.28 ? 530 ILE A CB 1 ATOM 3496 C CG1 . ILE A 1 484 ? 3.778 -9.579 -34.873 1.00 45.37 ? 530 ILE A CG1 1 ATOM 3497 C CG2 . ILE A 1 484 ? 4.352 -11.328 -33.162 1.00 43.41 ? 530 ILE A CG2 1 ATOM 3498 C CD1 . ILE A 1 484 ? 5.249 -9.499 -35.209 1.00 46.52 ? 530 ILE A CD1 1 ATOM 3499 N N . PRO A 1 485 ? 1.353 -12.675 -32.454 1.00 39.41 ? 531 PRO A N 1 ATOM 3500 C CA . PRO A 1 485 ? 0.939 -13.571 -31.363 1.00 38.14 ? 531 PRO A CA 1 ATOM 3501 C C . PRO A 1 485 ? 2.069 -13.805 -30.379 1.00 39.86 ? 531 PRO A C 1 ATOM 3502 O O . PRO A 1 485 ? 3.199 -14.116 -30.759 1.00 42.67 ? 531 PRO A O 1 ATOM 3503 C CB . PRO A 1 485 ? 0.547 -14.869 -32.080 1.00 36.32 ? 531 PRO A CB 1 ATOM 3504 C CG . PRO A 1 485 ? 0.600 -14.584 -33.535 1.00 37.82 ? 531 PRO A CG 1 ATOM 3505 C CD . PRO A 1 485 ? 1.396 -13.346 -33.764 1.00 39.38 ? 531 PRO A CD 1 ATOM 3506 N N . HIS A 1 486 ? 1.734 -13.722 -29.119 1.00 38.56 ? 532 HIS A N 1 ATOM 3507 C CA . HIS A 1 486 ? 2.659 -14.029 -28.088 1.00 38.98 ? 532 HIS A CA 1 ATOM 3508 C C . HIS A 1 486 ? 2.050 -15.092 -27.193 1.00 35.98 ? 532 HIS A C 1 ATOM 3509 O O . HIS A 1 486 ? 1.097 -14.851 -26.518 1.00 34.58 ? 532 HIS A O 1 ATOM 3510 C CB . HIS A 1 486 ? 3.038 -12.803 -27.278 1.00 43.24 ? 532 HIS A CB 1 ATOM 3511 C CG . HIS A 1 486 ? 3.806 -13.127 -26.041 1.00 46.60 ? 532 HIS A CG 1 ATOM 3512 N ND1 . HIS A 1 486 ? 5.077 -13.632 -26.073 1.00 47.52 ? 532 HIS A ND1 1 ATOM 3513 C CD2 . HIS A 1 486 ? 3.468 -13.050 -24.738 1.00 48.76 ? 532 HIS A CD2 1 ATOM 3514 C CE1 . HIS A 1 486 ? 5.491 -13.856 -24.847 1.00 47.78 ? 532 HIS A CE1 1 ATOM 3515 N NE2 . HIS A 1 486 ? 4.534 -13.507 -24.018 1.00 48.59 ? 532 HIS A NE2 1 ATOM 3516 N N . TRP A 1 487 ? 2.624 -16.278 -27.209 1.00 34.56 ? 533 TRP A N 1 ATOM 3517 C CA . TRP A 1 487 ? 2.156 -17.357 -26.357 1.00 32.75 ? 533 TRP A CA 1 ATOM 3518 C C . TRP A 1 487 ? 2.643 -17.087 -24.941 1.00 33.76 ? 533 TRP A C 1 ATOM 3519 O O . TRP A 1 487 ? 3.798 -16.708 -24.741 1.00 36.01 ? 533 TRP A O 1 ATOM 3520 C CB . TRP A 1 487 ? 2.657 -18.703 -26.887 1.00 32.14 ? 533 TRP A CB 1 ATOM 3521 C CG . TRP A 1 487 ? 2.029 -19.017 -28.213 1.00 33.01 ? 533 TRP A CG 1 ATOM 3522 C CD1 . TRP A 1 487 ? 2.344 -18.463 -29.429 1.00 34.03 ? 533 TRP A CD1 1 ATOM 3523 C CD2 . TRP A 1 487 ? 0.964 -19.942 -28.458 1.00 31.87 ? 533 TRP A CD2 1 ATOM 3524 N NE1 . TRP A 1 487 ? 1.540 -18.988 -30.411 1.00 33.42 ? 533 TRP A NE1 1 ATOM 3525 C CE2 . TRP A 1 487 ? 0.684 -19.899 -29.845 1.00 31.76 ? 533 TRP A CE2 1 ATOM 3526 C CE3 . TRP A 1 487 ? 0.216 -20.805 -27.639 1.00 29.61 ? 533 TRP A CE3 1 ATOM 3527 C CZ2 . TRP A 1 487 ? -0.315 -20.681 -30.433 1.00 29.86 ? 533 TRP A CZ2 1 ATOM 3528 C CZ3 . TRP A 1 487 ? -0.772 -21.586 -28.224 1.00 28.39 ? 533 TRP A CZ3 1 ATOM 3529 C CH2 . TRP A 1 487 ? -1.026 -21.519 -29.613 1.00 29.08 ? 533 TRP A CH2 1 ATOM 3530 N N . GLN A 1 488 ? 1.754 -17.219 -23.969 1.00 33.07 ? 534 GLN A N 1 ATOM 3531 C CA . GLN A 1 488 ? 2.052 -16.845 -22.596 1.00 34.38 ? 534 GLN A CA 1 ATOM 3532 C C . GLN A 1 488 ? 1.983 -18.068 -21.693 1.00 31.35 ? 534 GLN A C 1 ATOM 3533 O O . GLN A 1 488 ? 1.222 -19.011 -21.946 1.00 29.47 ? 534 GLN A O 1 ATOM 3534 C CB . GLN A 1 488 ? 1.064 -15.772 -22.085 1.00 37.71 ? 534 GLN A CB 1 ATOM 3535 C CG . GLN A 1 488 ? -0.290 -16.371 -21.642 1.00 39.26 ? 534 GLN A CG 1 ATOM 3536 C CD . GLN A 1 488 ? -1.447 -15.371 -21.615 1.00 41.61 ? 534 GLN A CD 1 ATOM 3537 O OE1 . GLN A 1 488 ? -2.223 -15.333 -20.647 1.00 42.05 ? 534 GLN A OE1 1 ATOM 3538 N NE2 . GLN A 1 488 ? -1.579 -14.574 -22.685 1.00 41.57 ? 534 GLN A NE2 1 ATOM 3539 N N . LEU A 1 489 ? 2.778 -18.045 -20.630 1.00 30.55 ? 535 LEU A N 1 ATOM 3540 C CA . LEU A 1 489 ? 2.635 -19.050 -19.586 1.00 29.73 ? 535 LEU A CA 1 ATOM 3541 C C . LEU A 1 489 ? 1.327 -18.805 -18.844 1.00 29.91 ? 535 LEU A C 1 ATOM 3542 O O . LEU A 1 489 ? 1.106 -17.715 -18.309 1.00 31.63 ? 535 LEU A O 1 ATOM 3543 C CB . LEU A 1 489 ? 3.824 -18.996 -18.627 1.00 28.98 ? 535 LEU A CB 1 ATOM 3544 C CG . LEU A 1 489 ? 3.770 -19.870 -17.365 1.00 27.96 ? 535 LEU A CG 1 ATOM 3545 C CD1 . LEU A 1 489 ? 3.653 -21.374 -17.688 1.00 24.99 ? 535 LEU A CD1 1 ATOM 3546 C CD2 . LEU A 1 489 ? 5.012 -19.595 -16.514 1.00 29.27 ? 535 LEU A CD2 1 ATOM 3547 N N . LEU A 1 490 ? 0.436 -19.791 -18.839 1.00 28.33 ? 536 LEU A N 1 ATOM 3548 C CA . LEU A 1 490 ? -0.820 -19.584 -18.131 1.00 28.12 ? 536 LEU A CA 1 ATOM 3549 C C . LEU A 1 490 ? -0.653 -19.864 -16.643 1.00 28.49 ? 536 LEU A C 1 ATOM 3550 O O . LEU A 1 490 ? -1.039 -19.046 -15.801 1.00 29.12 ? 536 LEU A O 1 ATOM 3551 C CB . LEU A 1 490 ? -1.932 -20.451 -18.730 1.00 26.70 ? 536 LEU A CB 1 ATOM 3552 C CG . LEU A 1 490 ? -3.293 -20.295 -18.037 1.00 25.09 ? 536 LEU A CG 1 ATOM 3553 C CD1 . LEU A 1 490 ? -3.842 -18.879 -18.250 1.00 24.79 ? 536 LEU A CD1 1 ATOM 3554 C CD2 . LEU A 1 490 ? -4.285 -21.341 -18.551 1.00 23.56 ? 536 LEU A CD2 1 ATOM 3555 N N . TYR A 1 491 ? -0.020 -20.976 -16.304 1.00 27.68 ? 537 TYR A N 1 ATOM 3556 C CA . TYR A 1 491 ? 0.245 -21.384 -14.942 1.00 26.73 ? 537 TYR A CA 1 ATOM 3557 C C . TYR A 1 491 ? 1.230 -22.539 -14.835 1.00 26.99 ? 537 TYR A C 1 ATOM 3558 O O . TYR A 1 491 ? 1.546 -23.163 -15.786 1.00 25.69 ? 537 TYR A O 1 ATOM 3559 C CB . TYR A 1 491 ? -1.062 -21.742 -14.233 1.00 25.20 ? 537 TYR A CB 1 ATOM 3560 C CG . TYR A 1 491 ? -1.584 -23.126 -14.486 1.00 24.30 ? 537 TYR A CG 1 ATOM 3561 C CD1 . TYR A 1 491 ? -2.184 -23.452 -15.675 1.00 24.21 ? 537 TYR A CD1 1 ATOM 3562 C CD2 . TYR A 1 491 ? -1.474 -24.098 -13.537 1.00 23.13 ? 537 TYR A CD2 1 ATOM 3563 C CE1 . TYR A 1 491 ? -2.662 -24.709 -15.899 1.00 22.87 ? 537 TYR A CE1 1 ATOM 3564 C CE2 . TYR A 1 491 ? -1.928 -25.351 -13.758 1.00 21.22 ? 537 TYR A CE2 1 ATOM 3565 C CZ . TYR A 1 491 ? -2.537 -25.651 -14.938 1.00 20.42 ? 537 TYR A CZ 1 ATOM 3566 O OH . TYR A 1 491 ? -2.983 -26.877 -15.139 1.00 16.34 ? 537 TYR A OH 1 ATOM 3567 N N . ARG A 1 492 ? 1.712 -22.785 -13.635 1.00 28.06 ? 538 ARG A N 1 ATOM 3568 C CA . ARG A 1 492 ? 2.593 -23.892 -13.310 1.00 29.09 ? 538 ARG A CA 1 ATOM 3569 C C . ARG A 1 492 ? 1.838 -24.591 -12.228 1.00 27.14 ? 538 ARG A C 1 ATOM 3570 O O . ARG A 1 492 ? 1.381 -23.985 -11.334 1.00 28.08 ? 538 ARG A O 1 ATOM 3571 C CB . ARG A 1 492 ? 3.926 -23.478 -12.733 1.00 33.88 ? 538 ARG A CB 1 ATOM 3572 C CG . ARG A 1 492 ? 4.813 -22.664 -13.604 1.00 39.82 ? 538 ARG A CG 1 ATOM 3573 C CD . ARG A 1 492 ? 6.188 -22.515 -12.971 1.00 46.38 ? 538 ARG A CD 1 ATOM 3574 N NE . ARG A 1 492 ? 7.021 -21.574 -13.692 1.00 51.87 ? 538 ARG A NE 1 ATOM 3575 C CZ . ARG A 1 492 ? 6.945 -20.265 -13.540 1.00 55.42 ? 538 ARG A CZ 1 ATOM 3576 N NH1 . ARG A 1 492 ? 6.058 -19.741 -12.711 1.00 56.83 ? 538 ARG A NH1 1 ATOM 3577 N NH2 . ARG A 1 492 ? 7.743 -19.477 -14.237 1.00 56.65 ? 538 ARG A NH2 1 ATOM 3578 N N . ALA A 1 493 ? 1.729 -25.885 -12.330 1.00 24.68 ? 539 ALA A N 1 ATOM 3579 C CA . ALA A 1 493 ? 0.952 -26.653 -11.405 1.00 23.36 ? 539 ALA A CA 1 ATOM 3580 C C . ALA A 1 493 ? 1.227 -26.566 -9.936 1.00 24.78 ? 539 ALA A C 1 ATOM 3581 O O . ALA A 1 493 ? 0.351 -26.268 -9.186 1.00 25.89 ? 539 ALA A O 1 ATOM 3582 C CB . ALA A 1 493 ? 0.888 -28.105 -11.844 1.00 21.59 ? 539 ALA A CB 1 ATOM 3583 N N . ARG A 1 494 ? 2.444 -26.848 -9.532 1.00 24.80 ? 540 ARG A N 1 ATOM 3584 C CA . ARG A 1 494 ? 2.765 -26.878 -8.103 1.00 25.92 ? 540 ARG A CA 1 ATOM 3585 C C . ARG A 1 494 ? 2.565 -25.511 -7.473 1.00 27.37 ? 540 ARG A C 1 ATOM 3586 O O . ARG A 1 494 ? 2.091 -25.393 -6.339 1.00 25.70 ? 540 ARG A O 1 ATOM 3587 C CB . ARG A 1 494 ? 4.207 -27.345 -7.876 1.00 26.85 ? 540 ARG A CB 1 ATOM 3588 C CG . ARG A 1 494 ? 4.397 -28.862 -7.788 1.00 28.21 ? 540 ARG A CG 1 ATOM 3589 C CD . ARG A 1 494 ? 5.804 -29.224 -7.288 1.00 30.76 ? 540 ARG A CD 1 ATOM 3590 N NE . ARG A 1 494 ? 6.074 -28.606 -5.991 1.00 34.50 ? 540 ARG A NE 1 ATOM 3591 C CZ . ARG A 1 494 ? 7.257 -28.593 -5.379 1.00 38.53 ? 540 ARG A CZ 1 ATOM 3592 N NH1 . ARG A 1 494 ? 8.295 -29.171 -5.953 1.00 40.23 ? 540 ARG A NH1 1 ATOM 3593 N NH2 . ARG A 1 494 ? 7.388 -27.989 -4.196 1.00 39.93 ? 540 ARG A NH2 1 ATOM 3594 N N . GLU A 1 495 ? 2.931 -24.469 -8.208 1.00 30.73 ? 541 GLU A N 1 ATOM 3595 C CA . GLU A 1 495 ? 2.839 -23.106 -7.716 1.00 34.25 ? 541 GLU A CA 1 ATOM 3596 C C . GLU A 1 495 ? 1.387 -22.697 -7.493 1.00 31.73 ? 541 GLU A C 1 ATOM 3597 O O . GLU A 1 495 ? 1.045 -22.152 -6.440 1.00 32.20 ? 541 GLU A O 1 ATOM 3598 C CB . GLU A 1 495 ? 3.533 -22.186 -8.718 1.00 40.22 ? 541 GLU A CB 1 ATOM 3599 C CG . GLU A 1 495 ? 3.708 -20.764 -8.309 1.00 45.63 ? 541 GLU A CG 1 ATOM 3600 C CD . GLU A 1 495 ? 4.394 -19.946 -9.395 1.00 49.53 ? 541 GLU A CD 1 ATOM 3601 O OE1 . GLU A 1 495 ? 4.200 -20.252 -10.596 1.00 48.29 ? 541 GLU A OE1 1 ATOM 3602 O OE2 . GLU A 1 495 ? 5.131 -18.995 -9.045 1.00 53.10 ? 541 GLU A OE2 1 ATOM 3603 N N . THR A 1 496 ? 0.503 -22.953 -8.462 1.00 29.49 ? 542 THR A N 1 ATOM 3604 C CA . THR A 1 496 ? -0.824 -22.369 -8.303 1.00 29.29 ? 542 THR A CA 1 ATOM 3605 C C . THR A 1 496 ? -1.691 -23.163 -7.330 1.00 28.96 ? 542 THR A C 1 ATOM 3606 O O . THR A 1 496 ? -2.541 -22.570 -6.658 1.00 30.42 ? 542 THR A O 1 ATOM 3607 C CB . THR A 1 496 ? -1.546 -22.200 -9.649 1.00 28.27 ? 542 THR A CB 1 ATOM 3608 O OG1 . THR A 1 496 ? -2.279 -23.378 -9.973 1.00 29.29 ? 542 THR A OG1 1 ATOM 3609 C CG2 . THR A 1 496 ? -0.582 -21.894 -10.746 1.00 27.75 ? 542 THR A CG2 1 ATOM 3610 N N . TYR A 1 497 ? -1.482 -24.471 -7.202 1.00 26.18 ? 543 TYR A N 1 ATOM 3611 C CA . TYR A 1 497 ? -2.242 -25.259 -6.240 1.00 25.99 ? 543 TYR A CA 1 ATOM 3612 C C . TYR A 1 497 ? -1.491 -25.527 -4.933 1.00 27.02 ? 543 TYR A C 1 ATOM 3613 O O . TYR A 1 497 ? -2.030 -26.214 -4.055 1.00 26.83 ? 543 TYR A O 1 ATOM 3614 C CB . TYR A 1 497 ? -2.674 -26.585 -6.867 1.00 23.77 ? 543 TYR A CB 1 ATOM 3615 C CG . TYR A 1 497 ? -3.542 -26.426 -8.090 1.00 23.66 ? 543 TYR A CG 1 ATOM 3616 C CD1 . TYR A 1 497 ? -4.766 -25.771 -8.015 1.00 24.13 ? 543 TYR A CD1 1 ATOM 3617 C CD2 . TYR A 1 497 ? -3.149 -26.942 -9.321 1.00 22.58 ? 543 TYR A CD2 1 ATOM 3618 C CE1 . TYR A 1 497 ? -5.572 -25.627 -9.132 1.00 23.27 ? 543 TYR A CE1 1 ATOM 3619 C CE2 . TYR A 1 497 ? -3.949 -26.803 -10.435 1.00 21.77 ? 543 TYR A CE2 1 ATOM 3620 C CZ . TYR A 1 497 ? -5.155 -26.143 -10.333 1.00 22.44 ? 543 TYR A CZ 1 ATOM 3621 O OH . TYR A 1 497 ? -5.955 -25.999 -11.435 1.00 22.97 ? 543 TYR A OH 1 ATOM 3622 N N . GLY A 1 498 ? -0.281 -25.002 -4.769 1.00 26.80 ? 544 GLY A N 1 ATOM 3623 C CA . GLY A 1 498 ? 0.480 -25.300 -3.565 1.00 26.95 ? 544 GLY A CA 1 ATOM 3624 C C . GLY A 1 498 ? 0.766 -26.773 -3.355 1.00 26.06 ? 544 GLY A C 1 ATOM 3625 O O . GLY A 1 498 ? 0.634 -27.273 -2.233 1.00 26.03 ? 544 GLY A O 1 ATOM 3626 N N . LEU A 1 499 ? 1.148 -27.488 -4.414 1.00 26.38 ? 545 LEU A N 1 ATOM 3627 C CA . LEU A 1 499 ? 1.423 -28.918 -4.278 1.00 24.62 ? 545 LEU A CA 1 ATOM 3628 C C . LEU A 1 499 ? 2.867 -29.139 -3.841 1.00 26.09 ? 545 LEU A C 1 ATOM 3629 O O . LEU A 1 499 ? 3.765 -28.431 -4.301 1.00 26.68 ? 545 LEU A O 1 ATOM 3630 C CB . LEU A 1 499 ? 1.184 -29.636 -5.598 1.00 21.81 ? 545 LEU A CB 1 ATOM 3631 C CG . LEU A 1 499 ? -0.129 -29.310 -6.319 1.00 20.03 ? 545 LEU A CG 1 ATOM 3632 C CD1 . LEU A 1 499 ? -0.227 -30.055 -7.642 1.00 17.49 ? 545 LEU A CD1 1 ATOM 3633 C CD2 . LEU A 1 499 ? -1.314 -29.650 -5.425 1.00 18.66 ? 545 LEU A CD2 1 ATOM 3634 N N . PRO A 1 500 ? 3.116 -30.106 -2.955 1.00 27.22 ? 546 PRO A N 1 ATOM 3635 C CA . PRO A 1 500 ? 4.504 -30.441 -2.600 1.00 26.74 ? 546 PRO A CA 1 ATOM 3636 C C . PRO A 1 500 ? 5.171 -31.254 -3.702 1.00 25.02 ? 546 PRO A C 1 ATOM 3637 O O . PRO A 1 500 ? 6.397 -31.240 -3.859 1.00 24.80 ? 546 PRO A O 1 ATOM 3638 C CB . PRO A 1 500 ? 4.351 -31.248 -1.304 1.00 27.52 ? 546 PRO A CB 1 ATOM 3639 C CG . PRO A 1 500 ? 3.004 -31.909 -1.437 1.00 27.83 ? 546 PRO A CG 1 ATOM 3640 C CD . PRO A 1 500 ? 2.134 -30.991 -2.293 1.00 27.46 ? 546 PRO A CD 1 ATOM 3641 N N . ASN A 1 501 ? 4.354 -31.977 -4.463 1.00 24.34 ? 547 ASN A N 1 ATOM 3642 C CA . ASN A 1 501 ? 4.795 -32.741 -5.622 1.00 24.64 ? 547 ASN A CA 1 ATOM 3643 C C . ASN A 1 501 ? 3.568 -32.946 -6.501 1.00 25.00 ? 547 ASN A C 1 ATOM 3644 O O . ASN A 1 501 ? 2.492 -32.417 -6.216 1.00 24.98 ? 547 ASN A O 1 ATOM 3645 C CB . ASN A 1 501 ? 5.444 -34.068 -5.214 1.00 24.09 ? 547 ASN A CB 1 ATOM 3646 C CG . ASN A 1 501 ? 4.576 -34.876 -4.270 1.00 25.12 ? 547 ASN A CG 1 ATOM 3647 O OD1 . ASN A 1 501 ? 3.425 -35.200 -4.592 1.00 25.56 ? 547 ASN A OD1 1 ATOM 3648 N ND2 . ASN A 1 501 ? 5.125 -35.231 -3.105 1.00 25.85 ? 547 ASN A ND2 1 ATOM 3649 N N . THR A 1 502 ? 3.729 -33.714 -7.580 1.00 24.68 ? 548 THR A N 1 ATOM 3650 C CA . THR A 1 502 ? 2.617 -34.016 -8.475 1.00 22.51 ? 548 THR A CA 1 ATOM 3651 C C . THR A 1 502 ? 2.369 -35.513 -8.526 1.00 22.55 ? 548 THR A C 1 ATOM 3652 O O . THR A 1 502 ? 1.982 -36.059 -9.559 1.00 22.48 ? 548 THR A O 1 ATOM 3653 C CB . THR A 1 502 ? 2.851 -33.451 -9.878 1.00 20.65 ? 548 THR A CB 1 ATOM 3654 O OG1 . THR A 1 502 ? 4.107 -33.916 -10.384 1.00 21.32 ? 548 THR A OG1 1 ATOM 3655 C CG2 . THR A 1 502 ? 2.857 -31.926 -9.847 1.00 19.77 ? 548 THR A CG2 1 ATOM 3656 N N . LEU A 1 503 ? 2.601 -36.182 -7.415 1.00 22.89 ? 549 LEU A N 1 ATOM 3657 C CA . LEU A 1 503 ? 2.272 -37.590 -7.324 1.00 22.75 ? 549 LEU A CA 1 ATOM 3658 C C . LEU A 1 503 ? 0.765 -37.784 -7.171 1.00 22.46 ? 549 LEU A C 1 ATOM 3659 O O . LEU A 1 503 ? 0.028 -36.829 -6.899 1.00 22.96 ? 549 LEU A O 1 ATOM 3660 C CB . LEU A 1 503 ? 3.027 -38.216 -6.157 1.00 22.33 ? 549 LEU A CB 1 ATOM 3661 C CG . LEU A 1 503 ? 4.523 -38.045 -6.334 1.00 21.61 ? 549 LEU A CG 1 ATOM 3662 C CD1 . LEU A 1 503 ? 5.214 -38.525 -5.078 1.00 21.24 ? 549 LEU A CD1 1 ATOM 3663 C CD2 . LEU A 1 503 ? 4.989 -38.792 -7.574 1.00 20.58 ? 549 LEU A CD2 1 ATOM 3664 N N . PRO A 1 504 ? 0.279 -39.017 -7.357 1.00 21.62 ? 550 PRO A N 1 ATOM 3665 C CA . PRO A 1 504 ? -1.176 -39.258 -7.272 1.00 20.31 ? 550 PRO A CA 1 ATOM 3666 C C . PRO A 1 504 ? -1.852 -38.686 -6.030 1.00 20.13 ? 550 PRO A C 1 ATOM 3667 O O . PRO A 1 504 ? -2.979 -38.176 -6.132 1.00 20.97 ? 550 PRO A O 1 ATOM 3668 C CB . PRO A 1 504 ? -1.261 -40.789 -7.318 1.00 20.02 ? 550 PRO A CB 1 ATOM 3669 C CG . PRO A 1 504 ? -0.090 -41.189 -8.168 1.00 20.23 ? 550 PRO A CG 1 ATOM 3670 C CD . PRO A 1 504 ? 1.007 -40.201 -7.863 1.00 20.74 ? 550 PRO A CD 1 ATOM 3671 N N . THR A 1 505 ? -1.200 -38.734 -4.867 1.00 19.23 ? 551 THR A N 1 ATOM 3672 C CA . THR A 1 505 ? -1.866 -38.273 -3.649 1.00 20.16 ? 551 THR A CA 1 ATOM 3673 C C . THR A 1 505 ? -2.145 -36.769 -3.676 1.00 19.27 ? 551 THR A C 1 ATOM 3674 O O . THR A 1 505 ? -3.152 -36.318 -3.116 1.00 19.61 ? 551 THR A O 1 ATOM 3675 C CB . THR A 1 505 ? -1.028 -38.658 -2.430 1.00 22.41 ? 551 THR A CB 1 ATOM 3676 O OG1 . THR A 1 505 ? -0.834 -40.081 -2.438 1.00 23.50 ? 551 THR A OG1 1 ATOM 3677 C CG2 . THR A 1 505 ? -1.731 -38.246 -1.117 1.00 23.28 ? 551 THR A CG2 1 ATOM 3678 N N . ALA A 1 506 ? -1.294 -35.987 -4.343 1.00 18.26 ? 552 ALA A N 1 ATOM 3679 C CA . ALA A 1 506 ? -1.525 -34.548 -4.424 1.00 19.27 ? 552 ALA A CA 1 ATOM 3680 C C . ALA A 1 506 ? -2.775 -34.238 -5.239 1.00 20.39 ? 552 ALA A C 1 ATOM 3681 O O . ALA A 1 506 ? -3.514 -33.289 -4.934 1.00 20.52 ? 552 ALA A O 1 ATOM 3682 C CB . ALA A 1 506 ? -0.301 -33.854 -5.030 1.00 18.26 ? 552 ALA A CB 1 ATOM 3683 N N . TRP A 1 507 ? -3.031 -35.032 -6.279 1.00 20.60 ? 553 TRP A N 1 ATOM 3684 C CA . TRP A 1 507 ? -4.209 -34.804 -7.105 1.00 21.39 ? 553 TRP A CA 1 ATOM 3685 C C . TRP A 1 507 ? -5.480 -35.297 -6.416 1.00 21.95 ? 553 TRP A C 1 ATOM 3686 O O . TRP A 1 507 ? -6.516 -34.618 -6.460 1.00 20.99 ? 553 TRP A O 1 ATOM 3687 C CB . TRP A 1 507 ? -3.991 -35.456 -8.465 1.00 20.04 ? 553 TRP A CB 1 ATOM 3688 C CG . TRP A 1 507 ? -2.783 -34.875 -9.104 1.00 19.88 ? 553 TRP A CG 1 ATOM 3689 C CD1 . TRP A 1 507 ? -1.535 -35.448 -9.217 1.00 19.29 ? 553 TRP A CD1 1 ATOM 3690 C CD2 . TRP A 1 507 ? -2.677 -33.562 -9.680 1.00 19.64 ? 553 TRP A CD2 1 ATOM 3691 N NE1 . TRP A 1 507 ? -0.672 -34.573 -9.849 1.00 19.58 ? 553 TRP A NE1 1 ATOM 3692 C CE2 . TRP A 1 507 ? -1.349 -33.414 -10.145 1.00 19.60 ? 553 TRP A CE2 1 ATOM 3693 C CE3 . TRP A 1 507 ? -3.584 -32.507 -9.865 1.00 18.48 ? 553 TRP A CE3 1 ATOM 3694 C CZ2 . TRP A 1 507 ? -0.910 -32.252 -10.775 1.00 19.32 ? 553 TRP A CZ2 1 ATOM 3695 C CZ3 . TRP A 1 507 ? -3.146 -31.356 -10.489 1.00 18.57 ? 553 TRP A CZ3 1 ATOM 3696 C CH2 . TRP A 1 507 ? -1.818 -31.235 -10.938 1.00 18.86 ? 553 TRP A CH2 1 ATOM 3697 N N . HIS A 1 508 ? -5.408 -36.467 -5.766 1.00 21.88 ? 554 HIS A N 1 ATOM 3698 C CA . HIS A 1 508 ? -6.464 -36.896 -4.855 1.00 20.65 ? 554 HIS A CA 1 ATOM 3699 C C . HIS A 1 508 ? -6.785 -35.794 -3.858 1.00 21.44 ? 554 HIS A C 1 ATOM 3700 O O . HIS A 1 508 ? -7.939 -35.363 -3.736 1.00 22.22 ? 554 HIS A O 1 ATOM 3701 C CB . HIS A 1 508 ? -6.024 -38.177 -4.129 1.00 19.49 ? 554 HIS A CB 1 ATOM 3702 C CG . HIS A 1 508 ? -6.882 -38.555 -2.961 1.00 18.29 ? 554 HIS A CG 1 ATOM 3703 N ND1 . HIS A 1 508 ? -7.924 -39.453 -3.062 1.00 18.30 ? 554 HIS A ND1 1 ATOM 3704 C CD2 . HIS A 1 508 ? -6.832 -38.186 -1.656 1.00 18.78 ? 554 HIS A CD2 1 ATOM 3705 C CE1 . HIS A 1 508 ? -8.486 -39.612 -1.875 1.00 19.11 ? 554 HIS A CE1 1 ATOM 3706 N NE2 . HIS A 1 508 ? -7.843 -38.853 -1.003 1.00 19.22 ? 554 HIS A NE2 1 ATOM 3707 N N . ASN A 1 509 ? -5.760 -35.305 -3.151 1.00 20.79 ? 555 ASN A N 1 ATOM 3708 C CA . ASN A 1 509 ? -5.991 -34.273 -2.144 1.00 21.46 ? 555 ASN A CA 1 ATOM 3709 C C . ASN A 1 509 ? -6.616 -33.035 -2.755 1.00 23.04 ? 555 ASN A C 1 ATOM 3710 O O . ASN A 1 509 ? -7.513 -32.428 -2.156 1.00 24.68 ? 555 ASN A O 1 ATOM 3711 C CB . ASN A 1 509 ? -4.690 -33.905 -1.438 1.00 20.12 ? 555 ASN A CB 1 ATOM 3712 C CG . ASN A 1 509 ? -4.197 -35.012 -0.531 1.00 20.28 ? 555 ASN A CG 1 ATOM 3713 O OD1 . ASN A 1 509 ? -4.952 -35.942 -0.198 1.00 19.61 ? 555 ASN A OD1 1 ATOM 3714 N ND2 . ASN A 1 509 ? -2.928 -34.917 -0.109 1.00 20.05 ? 555 ASN A ND2 1 ATOM 3715 N N . LEU A 1 510 ? -6.160 -32.652 -3.952 1.00 22.41 ? 556 LEU A N 1 ATOM 3716 C CA . LEU A 1 510 ? -6.657 -31.434 -4.578 1.00 21.97 ? 556 LEU A CA 1 ATOM 3717 C C . LEU A 1 510 ? -8.147 -31.536 -4.860 1.00 23.52 ? 556 LEU A C 1 ATOM 3718 O O . LEU A 1 510 ? -8.901 -30.583 -4.613 1.00 25.53 ? 556 LEU A O 1 ATOM 3719 C CB . LEU A 1 510 ? -5.887 -31.151 -5.864 1.00 19.55 ? 556 LEU A CB 1 ATOM 3720 C CG . LEU A 1 510 ? -6.359 -29.913 -6.623 1.00 17.62 ? 556 LEU A CG 1 ATOM 3721 C CD1 . LEU A 1 510 ? -5.955 -28.675 -5.861 1.00 16.63 ? 556 LEU A CD1 1 ATOM 3722 C CD2 . LEU A 1 510 ? -5.763 -29.897 -8.015 1.00 16.13 ? 556 LEU A CD2 1 ATOM 3723 N N . VAL A 1 511 ? -8.595 -32.690 -5.360 1.00 22.48 ? 557 VAL A N 1 ATOM 3724 C CA . VAL A 1 511 ? -10.023 -32.863 -5.594 1.00 22.79 ? 557 VAL A CA 1 ATOM 3725 C C . VAL A 1 511 ? -10.807 -32.600 -4.312 1.00 25.08 ? 557 VAL A C 1 ATOM 3726 O O . VAL A 1 511 ? -11.797 -31.859 -4.321 1.00 26.52 ? 557 VAL A O 1 ATOM 3727 C CB . VAL A 1 511 ? -10.309 -34.256 -6.189 1.00 21.25 ? 557 VAL A CB 1 ATOM 3728 C CG1 . VAL A 1 511 ? -11.790 -34.592 -6.087 1.00 21.44 ? 557 VAL A CG1 1 ATOM 3729 C CG2 . VAL A 1 511 ? -9.872 -34.287 -7.650 1.00 19.30 ? 557 VAL A CG2 1 ATOM 3730 N N . TYR A 1 512 ? -10.347 -33.138 -3.175 1.00 25.28 ? 558 TYR A N 1 ATOM 3731 C CA . TYR A 1 512 ? -11.129 -32.953 -1.952 1.00 25.22 ? 558 TYR A CA 1 ATOM 3732 C C . TYR A 1 512 ? -10.951 -31.565 -1.340 1.00 27.17 ? 558 TYR A C 1 ATOM 3733 O O . TYR A 1 512 ? -11.870 -31.069 -0.679 1.00 29.05 ? 558 TYR A O 1 ATOM 3734 C CB . TYR A 1 512 ? -10.812 -34.062 -0.945 1.00 22.99 ? 558 TYR A CB 1 ATOM 3735 C CG . TYR A 1 512 ? -11.415 -35.371 -1.402 1.00 21.68 ? 558 TYR A CG 1 ATOM 3736 C CD1 . TYR A 1 512 ? -12.782 -35.620 -1.268 1.00 21.94 ? 558 TYR A CD1 1 ATOM 3737 C CD2 . TYR A 1 512 ? -10.633 -36.333 -2.025 1.00 19.41 ? 558 TYR A CD2 1 ATOM 3738 C CE1 . TYR A 1 512 ? -13.338 -36.813 -1.715 1.00 21.57 ? 558 TYR A CE1 1 ATOM 3739 C CE2 . TYR A 1 512 ? -11.176 -37.513 -2.476 1.00 19.44 ? 558 TYR A CE2 1 ATOM 3740 C CZ . TYR A 1 512 ? -12.524 -37.750 -2.324 1.00 20.79 ? 558 TYR A CZ 1 ATOM 3741 O OH . TYR A 1 512 ? -13.046 -38.935 -2.785 1.00 21.58 ? 558 TYR A OH 1 ATOM 3742 N N . ARG A 1 513 ? -9.808 -30.913 -1.557 1.00 26.98 ? 559 ARG A N 1 ATOM 3743 C CA . ARG A 1 513 ? -9.719 -29.489 -1.249 1.00 27.27 ? 559 ARG A CA 1 ATOM 3744 C C . ARG A 1 513 ? -10.723 -28.703 -2.082 1.00 26.64 ? 559 ARG A C 1 ATOM 3745 O O . ARG A 1 513 ? -11.416 -27.818 -1.568 1.00 26.90 ? 559 ARG A O 1 ATOM 3746 C CB . ARG A 1 513 ? -8.302 -28.977 -1.499 1.00 28.62 ? 559 ARG A CB 1 ATOM 3747 C CG . ARG A 1 513 ? -7.232 -29.518 -0.553 1.00 30.65 ? 559 ARG A CG 1 ATOM 3748 C CD . ARG A 1 513 ? -5.847 -29.214 -1.121 1.00 31.70 ? 559 ARG A CD 1 ATOM 3749 N NE . ARG A 1 513 ? -5.689 -27.786 -1.398 1.00 32.91 ? 559 ARG A NE 1 ATOM 3750 C CZ . ARG A 1 513 ? -4.781 -27.270 -2.219 1.00 32.65 ? 559 ARG A CZ 1 ATOM 3751 N NH1 . ARG A 1 513 ? -3.937 -28.062 -2.881 1.00 31.69 ? 559 ARG A NH1 1 ATOM 3752 N NH2 . ARG A 1 513 ? -4.733 -25.955 -2.390 1.00 33.93 ? 559 ARG A NH2 1 ATOM 3753 N N . MET A 1 514 ? -10.828 -29.023 -3.376 1.00 25.42 ? 560 MET A N 1 ATOM 3754 C CA . MET A 1 514 ? -11.765 -28.292 -4.224 1.00 25.77 ? 560 MET A CA 1 ATOM 3755 C C . MET A 1 514 ? -13.215 -28.590 -3.875 1.00 27.35 ? 560 MET A C 1 ATOM 3756 O O . MET A 1 514 ? -14.086 -27.766 -4.179 1.00 29.40 ? 560 MET A O 1 ATOM 3757 C CB . MET A 1 514 ? -11.520 -28.596 -5.707 1.00 23.97 ? 560 MET A CB 1 ATOM 3758 C CG . MET A 1 514 ? -10.217 -28.038 -6.238 1.00 22.37 ? 560 MET A CG 1 ATOM 3759 S SD . MET A 1 514 ? -9.999 -28.325 -8.004 1.00 21.13 ? 560 MET A SD 1 ATOM 3760 C CE . MET A 1 514 ? -9.844 -30.106 -8.106 1.00 20.12 ? 560 MET A CE 1 ATOM 3761 N N . ARG A 1 515 ? -13.500 -29.742 -3.256 1.00 26.46 ? 561 ARG A N 1 ATOM 3762 C CA . ARG A 1 515 ? -14.870 -30.000 -2.826 1.00 26.73 ? 561 ARG A CA 1 ATOM 3763 C C . ARG A 1 515 ? -15.324 -28.975 -1.807 1.00 28.25 ? 561 ARG A C 1 ATOM 3764 O O . ARG A 1 515 ? -16.514 -28.646 -1.730 1.00 30.32 ? 561 ARG A O 1 ATOM 3765 C CB . ARG A 1 515 ? -15.007 -31.398 -2.231 1.00 25.66 ? 561 ARG A CB 1 ATOM 3766 C CG . ARG A 1 515 ? -16.455 -31.783 -1.951 1.00 26.04 ? 561 ARG A CG 1 ATOM 3767 C CD . ARG A 1 515 ? -16.558 -33.136 -1.278 1.00 27.68 ? 561 ARG A CD 1 ATOM 3768 N NE . ARG A 1 515 ? -16.151 -33.083 0.122 1.00 30.27 ? 561 ARG A NE 1 ATOM 3769 C CZ . ARG A 1 515 ? -15.944 -34.154 0.880 1.00 31.61 ? 561 ARG A CZ 1 ATOM 3770 N NH1 . ARG A 1 515 ? -16.092 -35.363 0.373 1.00 32.79 ? 561 ARG A NH1 1 ATOM 3771 N NH2 . ARG A 1 515 ? -15.576 -34.017 2.141 1.00 32.53 ? 561 ARG A NH2 1 ATOM 3772 N N . GLY A 1 516 ? -14.395 -28.449 -1.030 1.00 28.38 ? 562 GLY A N 1 ATOM 3773 C CA . GLY A 1 516 ? -14.778 -27.595 0.063 1.00 29.78 ? 562 GLY A CA 1 ATOM 3774 C C . GLY A 1 516 ? -14.325 -26.170 -0.101 1.00 30.16 ? 562 GLY A C 1 ATOM 3775 O O . GLY A 1 516 ? -14.592 -25.346 0.776 1.00 32.65 ? 562 GLY A O 1 ATOM 3776 N N . ASP A 1 517 ? -13.644 -25.852 -1.197 1.00 28.70 ? 563 ASP A N 1 ATOM 3777 C CA . ASP A 1 517 ? -13.104 -24.508 -1.394 1.00 30.75 ? 563 ASP A CA 1 ATOM 3778 C C . ASP A 1 517 ? -13.513 -24.025 -2.782 1.00 29.79 ? 563 ASP A C 1 ATOM 3779 O O . ASP A 1 517 ? -12.892 -24.396 -3.780 1.00 29.18 ? 563 ASP A O 1 ATOM 3780 C CB . ASP A 1 517 ? -11.590 -24.502 -1.194 1.00 32.24 ? 563 ASP A CB 1 ATOM 3781 C CG . ASP A 1 517 ? -10.981 -23.107 -1.280 1.00 36.19 ? 563 ASP A CG 1 ATOM 3782 O OD1 . ASP A 1 517 ? -11.698 -22.102 -1.488 1.00 38.15 ? 563 ASP A OD1 1 ATOM 3783 O OD2 . ASP A 1 517 ? -9.751 -23.020 -1.096 1.00 37.84 ? 563 ASP A OD2 1 ATOM 3784 N N . MET A 1 518 ? -14.548 -23.183 -2.834 1.00 31.59 ? 564 MET A N 1 ATOM 3785 C CA . MET A 1 518 ? -15.098 -22.760 -4.118 1.00 33.49 ? 564 MET A CA 1 ATOM 3786 C C . MET A 1 518 ? -14.107 -21.909 -4.891 1.00 31.18 ? 564 MET A C 1 ATOM 3787 O O . MET A 1 518 ? -14.001 -22.031 -6.116 1.00 29.68 ? 564 MET A O 1 ATOM 3788 C CB . MET A 1 518 ? -16.415 -21.999 -3.923 1.00 39.76 ? 564 MET A CB 1 ATOM 3789 C CG . MET A 1 518 ? -17.189 -21.794 -5.248 1.00 45.47 ? 564 MET A CG 1 ATOM 3790 S SD . MET A 1 518 ? -17.702 -23.392 -5.948 1.00 49.43 ? 564 MET A SD 1 ATOM 3791 C CE . MET A 1 518 ? -18.047 -23.048 -7.666 1.00 49.21 ? 564 MET A CE 1 ATOM 3792 N N . GLN A 1 519 ? -13.380 -21.034 -4.199 1.00 32.04 ? 565 GLN A N 1 ATOM 3793 C CA . GLN A 1 519 ? -12.387 -20.219 -4.881 1.00 33.43 ? 565 GLN A CA 1 ATOM 3794 C C . GLN A 1 519 ? -11.307 -21.093 -5.500 1.00 30.83 ? 565 GLN A C 1 ATOM 3795 O O . GLN A 1 519 ? -10.914 -20.888 -6.654 1.00 29.76 ? 565 GLN A O 1 ATOM 3796 C CB . GLN A 1 519 ? -11.788 -19.214 -3.908 1.00 38.51 ? 565 GLN A CB 1 ATOM 3797 C CG . GLN A 1 519 ? -10.764 -18.306 -4.527 1.00 43.17 ? 565 GLN A CG 1 ATOM 3798 C CD . GLN A 1 519 ? -10.309 -17.223 -3.572 1.00 49.49 ? 565 GLN A CD 1 ATOM 3799 O OE1 . GLN A 1 519 ? -11.102 -16.697 -2.784 1.00 52.82 ? 565 GLN A OE1 1 ATOM 3800 N NE2 . GLN A 1 519 ? -9.025 -16.884 -3.631 1.00 50.54 ? 565 GLN A NE2 1 ATOM 3801 N N . LEU A 1 520 ? -10.832 -22.092 -4.756 1.00 29.59 ? 566 LEU A N 1 ATOM 3802 C CA . LEU A 1 520 ? -9.864 -23.016 -5.326 1.00 27.40 ? 566 LEU A CA 1 ATOM 3803 C C . LEU A 1 520 ? -10.441 -23.724 -6.541 1.00 26.49 ? 566 LEU A C 1 ATOM 3804 O O . LEU A 1 520 ? -9.777 -23.826 -7.583 1.00 26.12 ? 566 LEU A O 1 ATOM 3805 C CB . LEU A 1 520 ? -9.420 -24.023 -4.276 1.00 27.04 ? 566 LEU A CB 1 ATOM 3806 C CG . LEU A 1 520 ? -8.359 -25.022 -4.714 1.00 25.71 ? 566 LEU A CG 1 ATOM 3807 C CD1 . LEU A 1 520 ? -7.061 -24.315 -5.104 1.00 25.40 ? 566 LEU A CD1 1 ATOM 3808 C CD2 . LEU A 1 520 ? -8.130 -25.999 -3.580 1.00 24.88 ? 566 LEU A CD2 1 ATOM 3809 N N . PHE A 1 521 ? -11.688 -24.199 -6.444 1.00 25.82 ? 567 PHE A N 1 ATOM 3810 C CA . PHE A 1 521 ? -12.284 -24.864 -7.599 1.00 26.46 ? 567 PHE A CA 1 ATOM 3811 C C . PHE A 1 521 ? -12.460 -23.897 -8.766 1.00 27.11 ? 567 PHE A C 1 ATOM 3812 O O . PHE A 1 521 ? -12.302 -24.285 -9.930 1.00 25.82 ? 567 PHE A O 1 ATOM 3813 C CB . PHE A 1 521 ? -13.631 -25.503 -7.247 1.00 26.19 ? 567 PHE A CB 1 ATOM 3814 C CG . PHE A 1 521 ? -14.336 -26.082 -8.449 1.00 24.87 ? 567 PHE A CG 1 ATOM 3815 C CD1 . PHE A 1 521 ? -13.926 -27.292 -8.994 1.00 23.30 ? 567 PHE A CD1 1 ATOM 3816 C CD2 . PHE A 1 521 ? -15.368 -25.391 -9.066 1.00 25.46 ? 567 PHE A CD2 1 ATOM 3817 C CE1 . PHE A 1 521 ? -14.558 -27.820 -10.110 1.00 23.51 ? 567 PHE A CE1 1 ATOM 3818 C CE2 . PHE A 1 521 ? -16.008 -25.916 -10.194 1.00 24.86 ? 567 PHE A CE2 1 ATOM 3819 C CZ . PHE A 1 521 ? -15.604 -27.130 -10.713 1.00 23.99 ? 567 PHE A CZ 1 ATOM 3820 N N . GLN A 1 522 ? -12.811 -22.640 -8.477 1.00 28.31 ? 568 GLN A N 1 ATOM 3821 C CA . GLN A 1 522 ? -12.947 -21.660 -9.549 1.00 28.89 ? 568 GLN A CA 1 ATOM 3822 C C . GLN A 1 522 ? -11.620 -21.435 -10.261 1.00 26.99 ? 568 GLN A C 1 ATOM 3823 O O . GLN A 1 522 ? -11.594 -21.229 -11.480 1.00 27.70 ? 568 GLN A O 1 ATOM 3824 C CB . GLN A 1 522 ? -13.498 -20.342 -9.006 1.00 31.60 ? 568 GLN A CB 1 ATOM 3825 C CG . GLN A 1 522 ? -14.993 -20.386 -8.729 1.00 34.68 ? 568 GLN A CG 1 ATOM 3826 C CD . GLN A 1 522 ? -15.818 -20.787 -9.953 1.00 36.63 ? 568 GLN A CD 1 ATOM 3827 O OE1 . GLN A 1 522 ? -16.801 -21.520 -9.833 1.00 36.67 ? 568 GLN A OE1 1 ATOM 3828 N NE2 . GLN A 1 522 ? -15.434 -20.283 -11.135 1.00 37.34 ? 568 GLN A NE2 1 ATOM 3829 N N . THR A 1 523 ? -10.505 -21.464 -9.523 1.00 24.38 ? 569 THR A N 1 ATOM 3830 C CA . THR A 1 523 ? -9.205 -21.408 -10.180 1.00 23.05 ? 569 THR A CA 1 ATOM 3831 C C . THR A 1 523 ? -9.044 -22.579 -11.137 1.00 23.02 ? 569 THR A C 1 ATOM 3832 O O . THR A 1 523 ? -8.734 -22.400 -12.321 1.00 24.03 ? 569 THR A O 1 ATOM 3833 C CB . THR A 1 523 ? -8.078 -21.412 -9.147 1.00 22.72 ? 569 THR A CB 1 ATOM 3834 O OG1 . THR A 1 523 ? -8.093 -20.190 -8.401 1.00 23.48 ? 569 THR A OG1 1 ATOM 3835 C CG2 . THR A 1 523 ? -6.722 -21.584 -9.835 1.00 21.49 ? 569 THR A CG2 1 ATOM 3836 N N . PHE A 1 524 ? -9.270 -23.790 -10.633 1.00 22.30 ? 570 PHE A N 1 ATOM 3837 C CA . PHE A 1 524 ? -9.163 -24.979 -11.462 1.00 21.19 ? 570 PHE A CA 1 ATOM 3838 C C . PHE A 1 524 ? -10.106 -24.899 -12.651 1.00 21.86 ? 570 PHE A C 1 ATOM 3839 O O . PHE A 1 524 ? -9.725 -25.239 -13.778 1.00 21.77 ? 570 PHE A O 1 ATOM 3840 C CB . PHE A 1 524 ? -9.453 -26.207 -10.610 1.00 20.39 ? 570 PHE A CB 1 ATOM 3841 C CG . PHE A 1 524 ? -9.615 -27.466 -11.395 1.00 20.83 ? 570 PHE A CG 1 ATOM 3842 C CD1 . PHE A 1 524 ? -8.510 -28.206 -11.780 1.00 20.93 ? 570 PHE A CD1 1 ATOM 3843 C CD2 . PHE A 1 524 ? -10.877 -27.923 -11.738 1.00 21.18 ? 570 PHE A CD2 1 ATOM 3844 C CE1 . PHE A 1 524 ? -8.661 -29.378 -12.502 1.00 20.84 ? 570 PHE A CE1 1 ATOM 3845 C CE2 . PHE A 1 524 ? -11.036 -29.092 -12.459 1.00 21.12 ? 570 PHE A CE2 1 ATOM 3846 C CZ . PHE A 1 524 ? -9.926 -29.824 -12.838 1.00 20.65 ? 570 PHE A CZ 1 ATOM 3847 N N . TRP A 1 525 ? -11.333 -24.425 -12.423 1.00 23.28 ? 571 TRP A N 1 ATOM 3848 C CA . TRP A 1 525 ? -12.300 -24.282 -13.507 1.00 24.49 ? 571 TRP A CA 1 ATOM 3849 C C . TRP A 1 525 ? -11.831 -23.255 -14.535 1.00 26.44 ? 571 TRP A C 1 ATOM 3850 O O . TRP A 1 525 ? -12.027 -23.438 -15.741 1.00 26.53 ? 571 TRP A O 1 ATOM 3851 C CB . TRP A 1 525 ? -13.655 -23.910 -12.913 1.00 24.62 ? 571 TRP A CB 1 ATOM 3852 C CG . TRP A 1 525 ? -14.768 -23.739 -13.886 1.00 24.26 ? 571 TRP A CG 1 ATOM 3853 C CD1 . TRP A 1 525 ? -15.326 -22.560 -14.279 1.00 25.50 ? 571 TRP A CD1 1 ATOM 3854 C CD2 . TRP A 1 525 ? -15.505 -24.773 -14.550 1.00 23.15 ? 571 TRP A CD2 1 ATOM 3855 N NE1 . TRP A 1 525 ? -16.357 -22.790 -15.154 1.00 26.37 ? 571 TRP A NE1 1 ATOM 3856 C CE2 . TRP A 1 525 ? -16.483 -24.140 -15.348 1.00 24.77 ? 571 TRP A CE2 1 ATOM 3857 C CE3 . TRP A 1 525 ? -15.429 -26.167 -14.559 1.00 22.34 ? 571 TRP A CE3 1 ATOM 3858 C CZ2 . TRP A 1 525 ? -17.371 -24.852 -16.156 1.00 24.08 ? 571 TRP A CZ2 1 ATOM 3859 C CZ3 . TRP A 1 525 ? -16.316 -26.878 -15.368 1.00 22.41 ? 571 TRP A CZ3 1 ATOM 3860 C CH2 . TRP A 1 525 ? -17.271 -26.216 -16.152 1.00 23.08 ? 571 TRP A CH2 1 ATOM 3861 N N . PHE A 1 526 ? -11.188 -22.175 -14.073 1.00 27.66 ? 572 PHE A N 1 ATOM 3862 C CA . PHE A 1 526 ? -10.547 -21.221 -14.976 1.00 26.65 ? 572 PHE A CA 1 ATOM 3863 C C . PHE A 1 526 ? -9.487 -21.907 -15.834 1.00 25.87 ? 572 PHE A C 1 ATOM 3864 O O . PHE A 1 526 ? -9.551 -21.872 -17.070 1.00 25.47 ? 572 PHE A O 1 ATOM 3865 C CB . PHE A 1 526 ? -9.933 -20.086 -14.152 1.00 25.29 ? 572 PHE A CB 1 ATOM 3866 C CG . PHE A 1 526 ? -9.231 -19.022 -14.965 1.00 23.64 ? 572 PHE A CG 1 ATOM 3867 C CD1 . PHE A 1 526 ? -9.961 -18.026 -15.609 1.00 23.11 ? 572 PHE A CD1 1 ATOM 3868 C CD2 . PHE A 1 526 ? -7.833 -18.973 -15.020 1.00 22.68 ? 572 PHE A CD2 1 ATOM 3869 C CE1 . PHE A 1 526 ? -9.315 -17.015 -16.339 1.00 22.99 ? 572 PHE A CE1 1 ATOM 3870 C CE2 . PHE A 1 526 ? -7.176 -17.970 -15.742 1.00 22.85 ? 572 PHE A CE2 1 ATOM 3871 C CZ . PHE A 1 526 ? -7.921 -16.989 -16.408 1.00 22.88 ? 572 PHE A CZ 1 ATOM 3872 N N . LEU A 1 527 ? -8.501 -22.545 -15.190 1.00 25.06 ? 573 LEU A N 1 ATOM 3873 C CA . LEU A 1 527 ? -7.427 -23.201 -15.938 1.00 24.69 ? 573 LEU A CA 1 ATOM 3874 C C . LEU A 1 527 ? -7.955 -24.331 -16.820 1.00 26.39 ? 573 LEU A C 1 ATOM 3875 O O . LEU A 1 527 ? -7.408 -24.587 -17.900 1.00 27.50 ? 573 LEU A O 1 ATOM 3876 C CB . LEU A 1 527 ? -6.366 -23.714 -14.968 1.00 21.91 ? 573 LEU A CB 1 ATOM 3877 C CG . LEU A 1 527 ? -5.765 -22.592 -14.106 1.00 21.76 ? 573 LEU A CG 1 ATOM 3878 C CD1 . LEU A 1 527 ? -4.822 -23.144 -13.026 1.00 21.09 ? 573 LEU A CD1 1 ATOM 3879 C CD2 . LEU A 1 527 ? -5.058 -21.528 -14.973 1.00 21.73 ? 573 LEU A CD2 1 ATOM 3880 N N . TYR A 1 528 ? -9.028 -24.989 -16.385 1.00 26.40 ? 574 TYR A N 1 ATOM 3881 C CA . TYR A 1 528 ? -9.637 -26.084 -17.132 1.00 26.06 ? 574 TYR A CA 1 ATOM 3882 C C . TYR A 1 528 ? -9.982 -25.675 -18.561 1.00 27.24 ? 574 TYR A C 1 ATOM 3883 O O . TYR A 1 528 ? -9.791 -26.458 -19.502 1.00 27.46 ? 574 TYR A O 1 ATOM 3884 C CB . TYR A 1 528 ? -10.871 -26.528 -16.342 1.00 23.90 ? 574 TYR A CB 1 ATOM 3885 C CG . TYR A 1 528 ? -11.757 -27.642 -16.828 1.00 21.76 ? 574 TYR A CG 1 ATOM 3886 C CD1 . TYR A 1 528 ? -12.768 -27.389 -17.750 1.00 21.32 ? 574 TYR A CD1 1 ATOM 3887 C CD2 . TYR A 1 528 ? -11.692 -28.910 -16.249 1.00 20.69 ? 574 TYR A CD2 1 ATOM 3888 C CE1 . TYR A 1 528 ? -13.646 -28.381 -18.144 1.00 21.38 ? 574 TYR A CE1 1 ATOM 3889 C CE2 . TYR A 1 528 ? -12.572 -29.922 -16.635 1.00 20.41 ? 574 TYR A CE2 1 ATOM 3890 C CZ . TYR A 1 528 ? -13.549 -29.648 -17.587 1.00 21.78 ? 574 TYR A CZ 1 ATOM 3891 O OH . TYR A 1 528 ? -14.437 -30.634 -17.995 1.00 22.76 ? 574 TYR A OH 1 ATOM 3892 N N . HIS A 1 529 ? -10.480 -24.446 -18.740 1.00 27.03 ? 575 HIS A N 1 ATOM 3893 C CA . HIS A 1 529 ? -10.845 -23.896 -20.040 1.00 26.73 ? 575 HIS A CA 1 ATOM 3894 C C . HIS A 1 529 ? -9.739 -23.033 -20.645 1.00 26.83 ? 575 HIS A C 1 ATOM 3895 O O . HIS A 1 529 ? -10.025 -22.176 -21.500 1.00 28.33 ? 575 HIS A O 1 ATOM 3896 C CB . HIS A 1 529 ? -12.132 -23.077 -19.922 1.00 26.70 ? 575 HIS A CB 1 ATOM 3897 C CG . HIS A 1 529 ? -13.265 -23.833 -19.309 1.00 25.24 ? 575 HIS A CG 1 ATOM 3898 N ND1 . HIS A 1 529 ? -14.190 -24.523 -20.061 1.00 24.99 ? 575 HIS A ND1 1 ATOM 3899 C CD2 . HIS A 1 529 ? -13.616 -24.019 -18.015 1.00 24.46 ? 575 HIS A CD2 1 ATOM 3900 C CE1 . HIS A 1 529 ? -15.061 -25.107 -19.258 1.00 24.90 ? 575 HIS A CE1 1 ATOM 3901 N NE2 . HIS A 1 529 ? -14.737 -24.816 -18.010 1.00 24.82 ? 575 HIS A NE2 1 ATOM 3902 N N . LYS A 1 530 ? -8.491 -23.231 -20.205 1.00 24.33 ? 576 LYS A N 1 ATOM 3903 C CA . LYS A 1 530 ? -7.333 -22.509 -20.742 1.00 23.56 ? 576 LYS A CA 1 ATOM 3904 C C . LYS A 1 530 ? -7.497 -21.000 -20.581 1.00 25.12 ? 576 LYS A C 1 ATOM 3905 O O . LYS A 1 530 ? -7.162 -20.218 -21.472 1.00 26.04 ? 576 LYS A O 1 ATOM 3906 C CB . LYS A 1 530 ? -7.075 -22.881 -22.202 1.00 22.13 ? 576 LYS A CB 1 ATOM 3907 C CG . LYS A 1 530 ? -6.493 -24.286 -22.366 1.00 20.82 ? 576 LYS A CG 1 ATOM 3908 C CD . LYS A 1 530 ? -6.390 -24.692 -23.824 1.00 20.63 ? 576 LYS A CD 1 ATOM 3909 C CE . LYS A 1 530 ? -7.734 -25.096 -24.374 1.00 20.84 ? 576 LYS A CE 1 ATOM 3910 N NZ . LYS A 1 530 ? -7.709 -25.228 -25.865 1.00 21.58 ? 576 LYS A NZ 1 ATOM 3911 N N . GLY A 1 531 ? -8.016 -20.587 -19.429 1.00 24.98 ? 577 GLY A N 1 ATOM 3912 C CA . GLY A 1 531 ? -8.172 -19.178 -19.157 1.00 26.66 ? 577 GLY A CA 1 ATOM 3913 C C . GLY A 1 531 ? -9.365 -18.523 -19.811 1.00 28.82 ? 577 GLY A C 1 ATOM 3914 O O . GLY A 1 531 ? -9.497 -17.294 -19.742 1.00 30.58 ? 577 GLY A O 1 ATOM 3915 N N . HIS A 1 532 ? -10.244 -19.288 -20.446 1.00 28.89 ? 578 HIS A N 1 ATOM 3916 C CA . HIS A 1 532 ? -11.433 -18.727 -21.084 1.00 29.14 ? 578 HIS A CA 1 ATOM 3917 C C . HIS A 1 532 ? -12.669 -19.517 -20.668 1.00 27.54 ? 578 HIS A C 1 ATOM 3918 O O . HIS A 1 532 ? -13.331 -20.136 -21.507 1.00 27.50 ? 578 HIS A O 1 ATOM 3919 C CB . HIS A 1 532 ? -11.259 -18.708 -22.602 1.00 29.26 ? 578 HIS A CB 1 ATOM 3920 C CG . HIS A 1 532 ? -12.192 -17.776 -23.296 1.00 30.55 ? 578 HIS A CG 1 ATOM 3921 N ND1 . HIS A 1 532 ? -13.281 -18.217 -24.015 1.00 31.38 ? 578 HIS A ND1 1 ATOM 3922 C CD2 . HIS A 1 532 ? -12.187 -16.426 -23.400 1.00 30.99 ? 578 HIS A CD2 1 ATOM 3923 C CE1 . HIS A 1 532 ? -13.913 -17.175 -24.526 1.00 32.79 ? 578 HIS A CE1 1 ATOM 3924 N NE2 . HIS A 1 532 ? -13.270 -16.078 -24.169 1.00 32.42 ? 578 HIS A NE2 1 ATOM 3925 N N . PRO A 1 533 ? -13.011 -19.511 -19.377 1.00 26.56 ? 579 PRO A N 1 ATOM 3926 C CA . PRO A 1 533 ? -14.167 -20.299 -18.903 1.00 25.96 ? 579 PRO A CA 1 ATOM 3927 C C . PRO A 1 533 ? -15.477 -19.740 -19.428 1.00 28.11 ? 579 PRO A C 1 ATOM 3928 O O . PRO A 1 533 ? -15.538 -18.584 -19.877 1.00 29.29 ? 579 PRO A O 1 ATOM 3929 C CB . PRO A 1 533 ? -14.079 -20.168 -17.371 1.00 24.12 ? 579 PRO A CB 1 ATOM 3930 C CG . PRO A 1 533 ? -13.343 -18.915 -17.138 1.00 24.21 ? 579 PRO A CG 1 ATOM 3931 C CD . PRO A 1 533 ? -12.343 -18.809 -18.262 1.00 25.12 ? 579 PRO A CD 1 ATOM 3932 N N . PRO A 1 534 ? -16.551 -20.529 -19.380 1.00 28.60 ? 580 PRO A N 1 ATOM 3933 C CA . PRO A 1 534 ? -17.876 -20.016 -19.759 1.00 29.70 ? 580 PRO A CA 1 ATOM 3934 C C . PRO A 1 534 ? -18.333 -18.908 -18.822 1.00 30.41 ? 580 PRO A C 1 ATOM 3935 O O . PRO A 1 534 ? -17.830 -18.734 -17.713 1.00 29.60 ? 580 PRO A O 1 ATOM 3936 C CB . PRO A 1 534 ? -18.797 -21.239 -19.641 1.00 29.56 ? 580 PRO A CB 1 ATOM 3937 C CG . PRO A 1 534 ? -17.908 -22.419 -19.385 1.00 28.30 ? 580 PRO A CG 1 ATOM 3938 C CD . PRO A 1 534 ? -16.597 -21.915 -18.884 1.00 27.57 ? 580 PRO A CD 1 ATOM 3939 N N . SER A 1 535 ? -19.328 -18.154 -19.281 1.00 33.04 ? 581 SER A N 1 ATOM 3940 C CA . SER A 1 535 ? -19.931 -17.133 -18.429 1.00 38.22 ? 581 SER A CA 1 ATOM 3941 C C . SER A 1 535 ? -20.993 -17.710 -17.506 1.00 40.80 ? 581 SER A C 1 ATOM 3942 O O . SER A 1 535 ? -21.224 -17.159 -16.426 1.00 40.91 ? 581 SER A O 1 ATOM 3943 C CB . SER A 1 535 ? -20.553 -16.018 -19.271 1.00 41.14 ? 581 SER A CB 1 ATOM 3944 O OG . SER A 1 535 ? -20.605 -16.390 -20.630 1.00 42.47 ? 581 SER A OG 1 ATOM 3945 N N . GLU A 1 536 ? -21.662 -18.781 -17.912 1.00 42.98 ? 582 GLU A N 1 ATOM 3946 C CA . GLU A 1 536 ? -22.582 -19.447 -17.007 1.00 45.74 ? 582 GLU A CA 1 ATOM 3947 C C . GLU A 1 536 ? -21.788 -19.958 -15.813 1.00 43.11 ? 582 GLU A C 1 ATOM 3948 O O . GLU A 1 536 ? -20.860 -20.763 -15.996 1.00 40.96 ? 582 GLU A O 1 ATOM 3949 C CB . GLU A 1 536 ? -23.314 -20.595 -17.696 1.00 50.84 ? 582 GLU A CB 1 ATOM 3950 C CG . GLU A 1 536 ? -24.610 -21.010 -17.006 1.00 58.29 ? 582 GLU A CG 1 ATOM 3951 C CD . GLU A 1 536 ? -25.652 -19.873 -16.931 1.00 65.85 ? 582 GLU A CD 1 ATOM 3952 O OE1 . GLU A 1 536 ? -25.686 -18.976 -17.827 1.00 69.89 ? 582 GLU A OE1 1 ATOM 3953 O OE2 . GLU A 1 536 ? -26.453 -19.860 -15.956 1.00 67.72 ? 582 GLU A OE2 1 ATOM 3954 N N . PRO A 1 537 ? -22.071 -19.491 -14.600 1.00 42.26 ? 583 PRO A N 1 ATOM 3955 C CA . PRO A 1 537 ? -21.318 -19.978 -13.442 1.00 39.84 ? 583 PRO A CA 1 ATOM 3956 C C . PRO A 1 537 ? -21.509 -21.476 -13.250 1.00 38.30 ? 583 PRO A C 1 ATOM 3957 O O . PRO A 1 537 ? -22.584 -22.027 -13.507 1.00 39.75 ? 583 PRO A O 1 ATOM 3958 C CB . PRO A 1 537 ? -21.899 -19.170 -12.276 1.00 40.93 ? 583 PRO A CB 1 ATOM 3959 C CG . PRO A 1 537 ? -23.211 -18.679 -12.757 1.00 43.01 ? 583 PRO A CG 1 ATOM 3960 C CD . PRO A 1 537 ? -23.073 -18.482 -14.229 1.00 43.13 ? 583 PRO A CD 1 ATOM 3961 N N . CYS A 1 538 ? -20.433 -22.134 -12.827 1.00 35.21 ? 584 CYS A N 1 ATOM 3962 C CA . CYS A 1 538 ? -20.428 -23.558 -12.509 1.00 34.26 ? 584 CYS A CA 1 ATOM 3963 C C . CYS A 1 538 ? -20.748 -23.705 -11.026 1.00 35.58 ? 584 CYS A C 1 ATOM 3964 O O . CYS A 1 538 ? -19.872 -23.543 -10.172 1.00 35.79 ? 584 CYS A O 1 ATOM 3965 C CB . CYS A 1 538 ? -19.071 -24.165 -12.855 1.00 32.65 ? 584 CYS A CB 1 ATOM 3966 S SG . CYS A 1 538 ? -18.801 -25.915 -12.423 1.00 31.36 ? 584 CYS A SG 1 ATOM 3967 N N . GLY A 1 539 ? -22.004 -24.015 -10.716 1.00 36.77 ? 585 GLY A N 1 ATOM 3968 C CA . GLY A 1 539 ? -22.451 -24.133 -9.344 1.00 38.16 ? 585 GLY A CA 1 ATOM 3969 C C . GLY A 1 539 ? -22.188 -25.498 -8.739 1.00 38.85 ? 585 GLY A C 1 ATOM 3970 O O . GLY A 1 539 ? -21.275 -26.228 -9.135 1.00 38.55 ? 585 GLY A O 1 ATOM 3971 N N . THR A 1 540 ? -23.013 -25.841 -7.748 1.00 40.06 ? 586 THR A N 1 ATOM 3972 C CA . THR A 1 540 ? -22.788 -27.068 -6.985 1.00 37.90 ? 586 THR A CA 1 ATOM 3973 C C . THR A 1 540 ? -22.859 -28.322 -7.849 1.00 37.38 ? 586 THR A C 1 ATOM 3974 O O . THR A 1 540 ? -21.893 -29.105 -7.837 1.00 36.96 ? 586 THR A O 1 ATOM 3975 C CB . THR A 1 540 ? -23.778 -27.147 -5.815 1.00 37.56 ? 586 THR A CB 1 ATOM 3976 O OG1 . THR A 1 540 ? -23.716 -25.945 -5.041 1.00 38.44 ? 586 THR A OG1 1 ATOM 3977 C CG2 . THR A 1 540 ? -23.451 -28.327 -4.942 1.00 35.97 ? 586 THR A CG2 1 ATOM 3978 N N . PRO A 1 541 ? -23.941 -28.589 -8.600 1.00 37.55 ? 587 PRO A N 1 ATOM 3979 C CA . PRO A 1 541 ? -23.949 -29.803 -9.432 1.00 36.27 ? 587 PRO A CA 1 ATOM 3980 C C . PRO A 1 541 ? -22.825 -29.833 -10.437 1.00 35.14 ? 587 PRO A C 1 ATOM 3981 O O . PRO A 1 541 ? -22.215 -30.887 -10.660 1.00 35.21 ? 587 PRO A O 1 ATOM 3982 C CB . PRO A 1 541 ? -25.313 -29.741 -10.134 1.00 37.44 ? 587 PRO A CB 1 ATOM 3983 C CG . PRO A 1 541 ? -26.139 -28.904 -9.266 1.00 39.47 ? 587 PRO A CG 1 ATOM 3984 C CD . PRO A 1 541 ? -25.224 -27.869 -8.706 1.00 39.18 ? 587 PRO A CD 1 ATOM 3985 N N . CYS A 1 542 ? -22.548 -28.695 -11.069 1.00 34.51 ? 588 CYS A N 1 ATOM 3986 C CA . CYS A 1 542 ? -21.465 -28.636 -12.037 1.00 31.87 ? 588 CYS A CA 1 ATOM 3987 C C . CYS A 1 542 ? -20.136 -28.961 -11.373 1.00 31.70 ? 588 CYS A C 1 ATOM 3988 O O . CYS A 1 542 ? -19.351 -29.759 -11.899 1.00 31.35 ? 588 CYS A O 1 ATOM 3989 C CB . CYS A 1 542 ? -21.446 -27.262 -12.701 1.00 31.27 ? 588 CYS A CB 1 ATOM 3990 S SG . CYS A 1 542 ? -20.019 -26.916 -13.712 1.00 30.81 ? 588 CYS A SG 1 ATOM 3991 N N . ARG A 1 543 ? -19.878 -28.391 -10.199 1.00 32.39 ? 589 ARG A N 1 ATOM 3992 C CA . ARG A 1 543 ? -18.628 -28.696 -9.515 1.00 32.15 ? 589 ARG A CA 1 ATOM 3993 C C . ARG A 1 543 ? -18.522 -30.184 -9.186 1.00 30.06 ? 589 ARG A C 1 ATOM 3994 O O . ARG A 1 543 ? -17.502 -30.826 -9.476 1.00 27.18 ? 589 ARG A O 1 ATOM 3995 C CB . ARG A 1 543 ? -18.512 -27.849 -8.254 1.00 34.67 ? 589 ARG A CB 1 ATOM 3996 C CG . ARG A 1 543 ? -17.267 -28.101 -7.465 1.00 35.44 ? 589 ARG A CG 1 ATOM 3997 C CD . ARG A 1 543 ? -17.614 -27.984 -6.032 1.00 39.16 ? 589 ARG A CD 1 ATOM 3998 N NE . ARG A 1 543 ? -17.119 -26.753 -5.434 1.00 43.86 ? 589 ARG A NE 1 ATOM 3999 C CZ . ARG A 1 543 ? -17.449 -26.339 -4.211 1.00 49.47 ? 589 ARG A CZ 1 ATOM 4000 N NH1 . ARG A 1 543 ? -16.950 -25.216 -3.737 1.00 51.54 ? 589 ARG A NH1 1 ATOM 4001 N NH2 . ARG A 1 543 ? -18.275 -27.064 -3.482 1.00 50.96 ? 589 ARG A NH2 1 ATOM 4002 N N . LEU A 1 544 ? -19.565 -30.756 -8.579 1.00 30.56 ? 590 LEU A N 1 ATOM 4003 C CA . LEU A 1 544 ? -19.477 -32.158 -8.178 1.00 29.56 ? 590 LEU A CA 1 ATOM 4004 C C . LEU A 1 544 ? -19.273 -33.065 -9.389 1.00 27.07 ? 590 LEU A C 1 ATOM 4005 O O . LEU A 1 544 ? -18.489 -34.023 -9.332 1.00 26.39 ? 590 LEU A O 1 ATOM 4006 C CB . LEU A 1 544 ? -20.719 -32.567 -7.382 1.00 31.82 ? 590 LEU A CB 1 ATOM 4007 C CG . LEU A 1 544 ? -20.780 -31.968 -5.964 1.00 33.49 ? 590 LEU A CG 1 ATOM 4008 C CD1 . LEU A 1 544 ? -22.029 -32.419 -5.206 1.00 34.61 ? 590 LEU A CD1 1 ATOM 4009 C CD2 . LEU A 1 544 ? -19.512 -32.289 -5.159 1.00 32.09 ? 590 LEU A CD2 1 ATOM 4010 N N . ALA A 1 545 ? -19.940 -32.755 -10.504 1.00 25.38 ? 591 ALA A N 1 ATOM 4011 C CA . ALA A 1 545 ? -19.742 -33.542 -11.714 1.00 24.57 ? 591 ALA A CA 1 ATOM 4012 C C . ALA A 1 545 ? -18.314 -33.394 -12.235 1.00 24.13 ? 591 ALA A C 1 ATOM 4013 O O . ALA A 1 545 ? -17.682 -34.385 -12.628 1.00 24.29 ? 591 ALA A O 1 ATOM 4014 C CB . ALA A 1 545 ? -20.764 -33.136 -12.775 1.00 24.40 ? 591 ALA A CB 1 ATOM 4015 N N . THR A 1 546 ? -17.777 -32.172 -12.214 1.00 22.93 ? 592 THR A N 1 ATOM 4016 C CA . THR A 1 546 ? -16.387 -31.966 -12.611 1.00 22.39 ? 592 THR A CA 1 ATOM 4017 C C . THR A 1 546 ? -15.423 -32.701 -11.679 1.00 22.46 ? 592 THR A C 1 ATOM 4018 O O . THR A 1 546 ? -14.496 -33.383 -12.138 1.00 22.07 ? 592 THR A O 1 ATOM 4019 C CB . THR A 1 546 ? -16.065 -30.473 -12.647 1.00 22.06 ? 592 THR A CB 1 ATOM 4020 O OG1 . THR A 1 546 ? -16.961 -29.807 -13.548 1.00 23.60 ? 592 THR A OG1 1 ATOM 4021 C CG2 . THR A 1 546 ? -14.625 -30.257 -13.074 1.00 19.82 ? 592 THR A CG2 1 ATOM 4022 N N . LEU A 1 547 ? -15.612 -32.566 -10.361 1.00 22.80 ? 593 LEU A N 1 ATOM 4023 C CA . LEU A 1 547 ? -14.733 -33.278 -9.435 1.00 21.16 ? 593 LEU A CA 1 ATOM 4024 C C . LEU A 1 547 ? -14.865 -34.785 -9.614 1.00 21.09 ? 593 LEU A C 1 ATOM 4025 O O . LEU A 1 547 ? -13.869 -35.515 -9.556 1.00 19.96 ? 593 LEU A O 1 ATOM 4026 C CB . LEU A 1 547 ? -15.029 -32.870 -7.985 1.00 20.41 ? 593 LEU A CB 1 ATOM 4027 C CG . LEU A 1 547 ? -14.814 -31.371 -7.687 1.00 18.99 ? 593 LEU A CG 1 ATOM 4028 C CD1 . LEU A 1 547 ? -15.184 -30.950 -6.268 1.00 17.91 ? 593 LEU A CD1 1 ATOM 4029 C CD2 . LEU A 1 547 ? -13.372 -31.010 -7.972 1.00 17.83 ? 593 LEU A CD2 1 ATOM 4030 N N . CYS A 1 548 ? -16.081 -35.270 -9.863 1.00 22.39 ? 594 CYS A N 1 ATOM 4031 C CA . CYS A 1 548 ? -16.245 -36.710 -10.011 1.00 22.83 ? 594 CYS A CA 1 ATOM 4032 C C . CYS A 1 548 ? -15.500 -37.236 -11.232 1.00 21.99 ? 594 CYS A C 1 ATOM 4033 O O . CYS A 1 548 ? -14.984 -38.360 -11.199 1.00 22.55 ? 594 CYS A O 1 ATOM 4034 C CB . CYS A 1 548 ? -17.727 -37.069 -10.072 1.00 23.68 ? 594 CYS A CB 1 ATOM 4035 S SG . CYS A 1 548 ? -18.063 -38.808 -10.462 1.00 24.54 ? 594 CYS A SG 1 ATOM 4036 N N . ALA A 1 549 ? -15.397 -36.438 -12.297 1.00 20.45 ? 595 ALA A N 1 ATOM 4037 C CA . ALA A 1 549 ? -14.647 -36.882 -13.469 1.00 19.34 ? 595 ALA A CA 1 ATOM 4038 C C . ALA A 1 549 ? -13.164 -37.062 -13.146 1.00 19.17 ? 595 ALA A C 1 ATOM 4039 O O . ALA A 1 549 ? -12.516 -37.982 -13.665 1.00 20.19 ? 595 ALA A O 1 ATOM 4040 C CB . ALA A 1 549 ? -14.832 -35.893 -14.619 1.00 17.88 ? 595 ALA A CB 1 ATOM 4041 N N . GLN A 1 550 ? -12.611 -36.193 -12.291 1.00 17.67 ? 596 GLN A N 1 ATOM 4042 C CA . GLN A 1 550 ? -11.194 -36.288 -11.946 1.00 18.39 ? 596 GLN A CA 1 ATOM 4043 C C . GLN A 1 550 ? -10.873 -37.600 -11.233 1.00 19.72 ? 596 GLN A C 1 ATOM 4044 O O . GLN A 1 550 ? -9.730 -38.071 -11.284 1.00 20.09 ? 596 GLN A O 1 ATOM 4045 C CB . GLN A 1 550 ? -10.782 -35.112 -11.056 1.00 17.69 ? 596 GLN A CB 1 ATOM 4046 C CG . GLN A 1 550 ? -11.141 -33.741 -11.600 1.00 18.05 ? 596 GLN A CG 1 ATOM 4047 C CD . GLN A 1 550 ? -10.846 -33.589 -13.085 1.00 18.08 ? 596 GLN A CD 1 ATOM 4048 O OE1 . GLN A 1 550 ? -9.691 -33.695 -13.516 1.00 18.60 ? 596 GLN A OE1 1 ATOM 4049 N NE2 . GLN A 1 550 ? -11.904 -33.387 -13.879 1.00 15.83 ? 596 GLN A NE2 1 ATOM 4050 N N . LEU A 1 551 ? -11.849 -38.199 -10.554 1.00 19.83 ? 597 LEU A N 1 ATOM 4051 C CA . LEU A 1 551 ? -11.617 -39.456 -9.859 1.00 20.37 ? 597 LEU A CA 1 ATOM 4052 C C . LEU A 1 551 ? -12.056 -40.662 -10.675 1.00 21.96 ? 597 LEU A C 1 ATOM 4053 O O . LEU A 1 551 ? -11.948 -41.795 -10.193 1.00 24.00 ? 597 LEU A O 1 ATOM 4054 C CB . LEU A 1 551 ? -12.335 -39.454 -8.507 1.00 18.90 ? 597 LEU A CB 1 ATOM 4055 C CG . LEU A 1 551 ? -12.060 -38.270 -7.572 1.00 16.78 ? 597 LEU A CG 1 ATOM 4056 C CD1 . LEU A 1 551 ? -12.997 -38.374 -6.376 1.00 17.27 ? 597 LEU A CD1 1 ATOM 4057 C CD2 . LEU A 1 551 ? -10.610 -38.211 -7.107 1.00 14.70 ? 597 LEU A CD2 1 ATOM 4058 N N . SER A 1 552 ? -12.528 -40.451 -11.899 1.00 21.17 ? 598 SER A N 1 ATOM 4059 C CA . SER A 1 552 ? -13.132 -41.519 -12.684 1.00 21.82 ? 598 SER A CA 1 ATOM 4060 C C . SER A 1 552 ? -12.164 -41.974 -13.774 1.00 22.44 ? 598 SER A C 1 ATOM 4061 O O . SER A 1 552 ? -12.350 -41.729 -14.968 1.00 24.83 ? 598 SER A O 1 ATOM 4062 C CB . SER A 1 552 ? -14.465 -41.054 -13.273 1.00 22.44 ? 598 SER A CB 1 ATOM 4063 O OG . SER A 1 552 ? -15.413 -40.777 -12.252 1.00 23.28 ? 598 SER A OG 1 ATOM 4064 N N . ALA A 1 553 ? -11.107 -42.659 -13.339 1.00 20.63 ? 599 ALA A N 1 ATOM 4065 C CA . ALA A 1 553 ? -10.185 -43.236 -14.309 1.00 20.80 ? 599 ALA A CA 1 ATOM 4066 C C . ALA A 1 553 ? -10.735 -44.531 -14.877 1.00 23.63 ? 599 ALA A C 1 ATOM 4067 O O . ALA A 1 553 ? -10.230 -45.022 -15.894 1.00 25.18 ? 599 ALA A O 1 ATOM 4068 C CB . ALA A 1 553 ? -8.814 -43.473 -13.676 1.00 19.36 ? 599 ALA A CB 1 ATOM 4069 N N . ARG A 1 554 ? -11.766 -45.082 -14.244 1.00 24.09 ? 600 ARG A N 1 ATOM 4070 C CA . ARG A 1 554 ? -12.451 -46.270 -14.723 1.00 26.95 ? 600 ARG A CA 1 ATOM 4071 C C . ARG A 1 554 ? -13.868 -45.888 -15.129 1.00 28.24 ? 600 ARG A C 1 ATOM 4072 O O . ARG A 1 554 ? -14.600 -45.273 -14.343 1.00 27.16 ? 600 ARG A O 1 ATOM 4073 C CB . ARG A 1 554 ? -12.470 -47.361 -13.648 1.00 27.41 ? 600 ARG A CB 1 ATOM 4074 C CG . ARG A 1 554 ? -12.839 -48.706 -14.206 1.00 30.11 ? 600 ARG A CG 1 ATOM 4075 C CD . ARG A 1 554 ? -12.568 -49.805 -13.212 1.00 31.22 ? 600 ARG A CD 1 ATOM 4076 N NE . ARG A 1 554 ? -13.425 -49.708 -12.040 1.00 31.48 ? 600 ARG A NE 1 ATOM 4077 C CZ . ARG A 1 554 ? -13.315 -50.494 -10.972 1.00 31.69 ? 600 ARG A CZ 1 ATOM 4078 N NH1 . ARG A 1 554 ? -12.365 -51.427 -10.932 1.00 32.18 ? 600 ARG A NH1 1 ATOM 4079 N NH2 . ARG A 1 554 ? -14.152 -50.347 -9.949 1.00 30.61 ? 600 ARG A NH2 1 ATOM 4080 N N . ALA A 1 555 ? -14.241 -46.242 -16.356 1.00 30.43 ? 601 ALA A N 1 ATOM 4081 C CA . ALA A 1 555 ? -15.595 -46.023 -16.849 1.00 32.31 ? 601 ALA A CA 1 ATOM 4082 C C . ALA A 1 555 ? -16.633 -46.772 -16.014 1.00 32.96 ? 601 ALA A C 1 ATOM 4083 O O . ALA A 1 555 ? -16.371 -47.855 -15.474 1.00 31.01 ? 601 ALA A O 1 ATOM 4084 C CB . ALA A 1 555 ? -15.698 -46.470 -18.303 1.00 34.19 ? 601 ALA A CB 1 ATOM 4085 N N . ASP A 1 556 ? -17.823 -46.167 -15.915 1.00 35.11 ? 602 ASP A N 1 ATOM 4086 C CA . ASP A 1 556 ? -19.013 -46.774 -15.302 1.00 38.19 ? 602 ASP A CA 1 ATOM 4087 C C . ASP A 1 556 ? -18.713 -47.388 -13.938 1.00 35.14 ? 602 ASP A C 1 ATOM 4088 O O . ASP A 1 556 ? -19.112 -48.510 -13.629 1.00 33.03 ? 602 ASP A O 1 ATOM 4089 C CB . ASP A 1 556 ? -19.638 -47.809 -16.234 1.00 45.30 ? 602 ASP A CB 1 ATOM 4090 C CG . ASP A 1 556 ? -19.978 -47.223 -17.589 1.00 52.18 ? 602 ASP A CG 1 ATOM 4091 O OD1 . ASP A 1 556 ? -20.618 -46.142 -17.641 1.00 54.23 ? 602 ASP A OD1 1 ATOM 4092 O OD2 . ASP A 1 556 ? -19.589 -47.835 -18.607 1.00 55.69 ? 602 ASP A OD2 1 ATOM 4093 N N . SER A 1 557 ? -17.997 -46.631 -13.114 1.00 35.23 ? 603 SER A N 1 ATOM 4094 C CA . SER A 1 557 ? -17.674 -47.017 -11.743 1.00 35.08 ? 603 SER A CA 1 ATOM 4095 C C . SER A 1 557 ? -18.135 -45.894 -10.831 1.00 34.73 ? 603 SER A C 1 ATOM 4096 O O . SER A 1 557 ? -17.323 -45.089 -10.350 1.00 32.66 ? 603 SER A O 1 ATOM 4097 C CB . SER A 1 557 ? -16.184 -47.286 -11.567 1.00 34.30 ? 603 SER A CB 1 ATOM 4098 O OG . SER A 1 557 ? -15.732 -48.207 -12.535 1.00 35.99 ? 603 SER A OG 1 ATOM 4099 N N . PRO A 1 558 ? -19.440 -45.821 -10.561 1.00 36.92 ? 604 PRO A N 1 ATOM 4100 C CA . PRO A 1 558 ? -19.959 -44.744 -9.701 1.00 37.56 ? 604 PRO A CA 1 ATOM 4101 C C . PRO A 1 558 ? -19.408 -44.774 -8.281 1.00 38.33 ? 604 PRO A C 1 ATOM 4102 O O . PRO A 1 558 ? -19.338 -43.719 -7.642 1.00 37.75 ? 604 PRO A O 1 ATOM 4103 C CB . PRO A 1 558 ? -21.473 -44.989 -9.722 1.00 37.89 ? 604 PRO A CB 1 ATOM 4104 C CG . PRO A 1 558 ? -21.595 -46.473 -9.978 1.00 38.33 ? 604 PRO A CG 1 ATOM 4105 C CD . PRO A 1 558 ? -20.466 -46.821 -10.901 1.00 37.84 ? 604 PRO A CD 1 ATOM 4106 N N . ALA A 1 559 ? -19.003 -45.939 -7.770 1.00 35.32 ? 605 ALA A N 1 ATOM 4107 C CA . ALA A 1 559 ? -18.456 -45.993 -6.420 1.00 34.29 ? 605 ALA A CA 1 ATOM 4108 C C . ALA A 1 559 ? -17.225 -45.104 -6.260 1.00 32.41 ? 605 ALA A C 1 ATOM 4109 O O . ALA A 1 559 ? -16.902 -44.688 -5.139 1.00 32.58 ? 605 ALA A O 1 ATOM 4110 C CB . ALA A 1 559 ? -18.106 -47.434 -6.049 1.00 23.00 ? 605 ALA A CB 1 ATOM 4111 N N . LEU A 1 560 ? -16.514 -44.824 -7.357 1.00 28.52 ? 606 LEU A N 1 ATOM 4112 C CA . LEU A 1 560 ? -15.334 -43.970 -7.280 1.00 25.91 ? 606 LEU A CA 1 ATOM 4113 C C . LEU A 1 560 ? -15.684 -42.587 -6.754 1.00 25.56 ? 606 LEU A C 1 ATOM 4114 O O . LEU A 1 560 ? -14.834 -41.908 -6.167 1.00 23.05 ? 606 LEU A O 1 ATOM 4115 C CB . LEU A 1 560 ? -14.680 -43.850 -8.658 1.00 24.20 ? 606 LEU A CB 1 ATOM 4116 C CG . LEU A 1 560 ? -14.041 -45.123 -9.214 1.00 22.23 ? 606 LEU A CG 1 ATOM 4117 C CD1 . LEU A 1 560 ? -13.671 -44.940 -10.681 1.00 19.75 ? 606 LEU A CD1 1 ATOM 4118 C CD2 . LEU A 1 560 ? -12.815 -45.507 -8.384 1.00 19.93 ? 606 LEU A CD2 1 ATOM 4119 N N . CYS A 1 561 ? -16.927 -42.151 -6.959 1.00 26.64 ? 607 CYS A N 1 ATOM 4120 C CA . CYS A 1 561 ? -17.366 -40.830 -6.540 1.00 26.04 ? 607 CYS A CA 1 ATOM 4121 C C . CYS A 1 561 ? -18.241 -40.886 -5.295 1.00 26.54 ? 607 CYS A C 1 ATOM 4122 O O . CYS A 1 561 ? -18.958 -39.924 -5.011 1.00 27.51 ? 607 CYS A O 1 ATOM 4123 C CB . CYS A 1 561 ? -18.088 -40.129 -7.696 1.00 26.23 ? 607 CYS A CB 1 ATOM 4124 S SG . CYS A 1 561 ? -16.993 -39.892 -9.130 1.00 25.01 ? 607 CYS A SG 1 ATOM 4125 N N . ARG A 1 562 ? -18.167 -41.983 -4.528 1.00 26.28 ? 608 ARG A N 1 ATOM 4126 C CA . ARG A 1 562 ? -19.041 -42.137 -3.366 1.00 27.13 ? 608 ARG A CA 1 ATOM 4127 C C . ARG A 1 562 ? -18.818 -41.034 -2.341 1.00 29.32 ? 608 ARG A C 1 ATOM 4128 O O . ARG A 1 562 ? -19.763 -40.624 -1.662 1.00 30.57 ? 608 ARG A O 1 ATOM 4129 C CB . ARG A 1 562 ? -18.844 -43.518 -2.725 1.00 25.94 ? 608 ARG A CB 1 ATOM 4130 C CG . ARG A 1 562 ? -17.453 -43.775 -2.152 1.00 25.24 ? 608 ARG A CG 1 ATOM 4131 C CD . ARG A 1 562 ? -17.142 -45.263 -2.027 1.00 25.85 ? 608 ARG A CD 1 ATOM 4132 N NE . ARG A 1 562 ? -15.808 -45.490 -1.471 1.00 27.59 ? 608 ARG A NE 1 ATOM 4133 C CZ . ARG A 1 562 ? -14.684 -45.551 -2.190 1.00 28.25 ? 608 ARG A CZ 1 ATOM 4134 N NH1 . ARG A 1 562 ? -14.715 -45.414 -3.511 1.00 28.45 ? 608 ARG A NH1 1 ATOM 4135 N NH2 . ARG A 1 562 ? -13.523 -45.757 -1.584 1.00 28.20 ? 608 ARG A NH2 1 ATOM 4136 N N . HIS A 1 563 ? -17.595 -40.519 -2.234 1.00 30.48 ? 609 HIS A N 1 ATOM 4137 C CA . HIS A 1 563 ? -17.284 -39.467 -1.272 1.00 32.94 ? 609 HIS A CA 1 ATOM 4138 C C . HIS A 1 563 ? -17.559 -38.067 -1.804 1.00 36.31 ? 609 HIS A C 1 ATOM 4139 O O . HIS A 1 563 ? -17.305 -37.091 -1.095 1.00 36.89 ? 609 HIS A O 1 ATOM 4140 C CB . HIS A 1 563 ? -15.822 -39.580 -0.827 1.00 31.37 ? 609 HIS A CB 1 ATOM 4141 C CG . HIS A 1 563 ? -15.537 -40.824 -0.048 1.00 32.89 ? 609 HIS A CG 1 ATOM 4142 N ND1 . HIS A 1 563 ? -14.438 -41.617 -0.285 1.00 33.01 ? 609 HIS A ND1 1 ATOM 4143 C CD2 . HIS A 1 563 ? -16.219 -41.417 0.960 1.00 34.55 ? 609 HIS A CD2 1 ATOM 4144 C CE1 . HIS A 1 563 ? -14.450 -42.648 0.542 1.00 33.51 ? 609 HIS A CE1 1 ATOM 4145 N NE2 . HIS A 1 563 ? -15.520 -42.549 1.309 1.00 34.85 ? 609 HIS A NE2 1 ATOM 4146 N N . LEU A 1 564 ? -18.063 -37.943 -3.030 1.00 39.68 ? 610 LEU A N 1 ATOM 4147 C CA . LEU A 1 564 ? -18.461 -36.653 -3.562 1.00 43.51 ? 610 LEU A CA 1 ATOM 4148 C C . LEU A 1 564 ? -19.966 -36.452 -3.569 1.00 51.74 ? 610 LEU A C 1 ATOM 4149 O O . LEU A 1 564 ? -20.419 -35.309 -3.662 1.00 54.67 ? 610 LEU A O 1 ATOM 4150 C CB . LEU A 1 564 ? -17.924 -36.481 -4.985 1.00 40.27 ? 610 LEU A CB 1 ATOM 4151 C CG . LEU A 1 564 ? -16.412 -36.283 -5.082 1.00 37.31 ? 610 LEU A CG 1 ATOM 4152 C CD1 . LEU A 1 564 ? -15.980 -36.243 -6.527 1.00 35.79 ? 610 LEU A CD1 1 ATOM 4153 C CD2 . LEU A 1 564 ? -15.965 -35.015 -4.342 1.00 36.06 ? 610 LEU A CD2 1 ATOM 4154 N N . MET A 1 565 ? -20.750 -37.519 -3.505 1.00 56.54 ? 611 MET A N 1 ATOM 4155 C CA . MET A 1 565 ? -22.199 -37.377 -3.525 1.00 63.05 ? 611 MET A CA 1 ATOM 4156 C C . MET A 1 565 ? -22.824 -38.468 -2.674 1.00 62.15 ? 611 MET A C 1 ATOM 4157 O O . MET A 1 565 ? -22.958 -39.604 -3.130 1.00 61.29 ? 611 MET A O 1 ATOM 4158 C CB . MET A 1 565 ? -22.743 -37.450 -4.964 1.00 70.41 ? 611 MET A CB 1 ATOM 4159 C CG . MET A 1 565 ? -21.783 -36.944 -6.062 1.00 74.28 ? 611 MET A CG 1 ATOM 4160 S SD . MET A 1 565 ? -22.516 -36.579 -7.674 1.00 76.59 ? 611 MET A SD 1 ATOM 4161 C CE . MET A 1 565 ? -21.156 -36.970 -8.769 1.00 74.29 ? 611 MET A CE 1 HETATM 4162 C C1 . NAG B 2 . ? -38.921 -79.941 -30.924 0.50 52.01 ? 701 NAG A C1 1 HETATM 4163 C C2 . NAG B 2 . ? -38.358 -81.351 -30.745 0.50 54.64 ? 701 NAG A C2 1 HETATM 4164 C C3 . NAG B 2 . ? -38.437 -81.772 -29.280 0.50 56.08 ? 701 NAG A C3 1 HETATM 4165 C C4 . NAG B 2 . ? -37.764 -80.737 -28.387 0.50 56.23 ? 701 NAG A C4 1 HETATM 4166 C C5 . NAG B 2 . ? -38.325 -79.344 -28.657 0.50 55.05 ? 701 NAG A C5 1 HETATM 4167 C C6 . NAG B 2 . ? -37.579 -78.264 -27.904 0.50 54.85 ? 701 NAG A C6 1 HETATM 4168 C C7 . NAG B 2 . ? -38.761 -82.499 -32.878 0.50 56.09 ? 701 NAG A C7 1 HETATM 4169 C C8 . NAG B 2 . ? -39.578 -83.532 -33.593 0.50 55.91 ? 701 NAG A C8 1 HETATM 4170 N N2 . NAG B 2 . ? -39.056 -82.309 -31.587 0.50 55.59 ? 701 NAG A N2 1 HETATM 4171 O O3 . NAG B 2 . ? -37.798 -83.033 -29.119 0.50 56.95 ? 701 NAG A O3 1 HETATM 4172 O O4 . NAG B 2 . ? -37.979 -81.062 -27.017 0.50 56.94 ? 701 NAG A O4 1 HETATM 4173 O O5 . NAG B 2 . ? -38.221 -79.028 -30.055 0.50 53.98 ? 701 NAG A O5 1 HETATM 4174 O O6 . NAG B 2 . ? -37.375 -77.103 -28.697 0.50 54.73 ? 701 NAG A O6 1 HETATM 4175 O O7 . NAG B 2 . ? -37.875 -81.864 -33.443 0.50 56.31 ? 701 NAG A O7 1 HETATM 4176 C C1 . NAG C 2 . ? -14.286 -60.880 -16.153 1.00 66.35 ? 702 NAG A C1 1 HETATM 4177 C C2 . NAG C 2 . ? -15.553 -61.733 -16.349 1.00 71.37 ? 702 NAG A C2 1 HETATM 4178 C C3 . NAG C 2 . ? -16.785 -60.999 -15.808 1.00 75.37 ? 702 NAG A C3 1 HETATM 4179 C C4 . NAG C 2 . ? -16.554 -60.537 -14.374 1.00 75.75 ? 702 NAG A C4 1 HETATM 4180 C C5 . NAG C 2 . ? -15.270 -59.714 -14.295 1.00 75.00 ? 702 NAG A C5 1 HETATM 4181 C C6 . NAG C 2 . ? -14.927 -59.267 -12.893 1.00 75.84 ? 702 NAG A C6 1 HETATM 4182 C C7 . NAG C 2 . ? -15.093 -63.084 -18.356 1.00 71.80 ? 702 NAG A C7 1 HETATM 4183 C C8 . NAG C 2 . ? -15.414 -63.291 -19.807 1.00 71.68 ? 702 NAG A C8 1 HETATM 4184 N N2 . NAG C 2 . ? -15.738 -62.078 -17.751 1.00 71.35 ? 702 NAG A N2 1 HETATM 4185 O O3 . NAG C 2 . ? -17.919 -61.859 -15.865 1.00 78.26 ? 702 NAG A O3 1 HETATM 4186 O O4 . NAG C 2 . ? -17.655 -59.758 -13.914 1.00 74.00 ? 702 NAG A O4 1 HETATM 4187 O O5 . NAG C 2 . ? -14.164 -60.499 -14.767 1.00 70.99 ? 702 NAG A O5 1 HETATM 4188 O O6 . NAG C 2 . ? -14.797 -57.854 -12.825 1.00 76.21 ? 702 NAG A O6 1 HETATM 4189 O O7 . NAG C 2 . ? -14.289 -63.795 -17.759 1.00 71.89 ? 702 NAG A O7 1 HETATM 4190 C C1 . NAG D 2 . ? -9.933 -47.775 -51.000 1.00 60.67 ? 703 NAG A C1 1 HETATM 4191 C C2 . NAG D 2 . ? -10.419 -47.545 -52.426 1.00 62.26 ? 703 NAG A C2 1 HETATM 4192 C C3 . NAG D 2 . ? -10.748 -46.071 -52.638 1.00 61.75 ? 703 NAG A C3 1 HETATM 4193 C C4 . NAG D 2 . ? -11.733 -45.597 -51.580 1.00 61.62 ? 703 NAG A C4 1 HETATM 4194 C C5 . NAG D 2 . ? -11.231 -45.934 -50.182 1.00 60.52 ? 703 NAG A C5 1 HETATM 4195 C C6 . NAG D 2 . ? -12.270 -45.645 -49.130 1.00 61.46 ? 703 NAG A C6 1 HETATM 4196 C C7 . NAG D 2 . ? -9.597 -49.151 -54.074 1.00 65.68 ? 703 NAG A C7 1 HETATM 4197 C C8 . NAG D 2 . ? -8.500 -49.502 -55.037 1.00 65.87 ? 703 NAG A C8 1 HETATM 4198 N N2 . NAG D 2 . ? -9.442 -48.008 -53.396 1.00 64.49 ? 703 NAG A N2 1 HETATM 4199 O O3 . NAG D 2 . ? -11.316 -45.879 -53.928 1.00 61.56 ? 703 NAG A O3 1 HETATM 4200 O O4 . NAG D 2 . ? -11.894 -44.188 -51.662 1.00 62.84 ? 703 NAG A O4 1 HETATM 4201 O O5 . NAG D 2 . ? -10.927 -47.333 -50.084 1.00 60.43 ? 703 NAG A O5 1 HETATM 4202 O O6 . NAG D 2 . ? -13.563 -45.619 -49.716 1.00 61.10 ? 703 NAG A O6 1 HETATM 4203 O O7 . NAG D 2 . ? -10.584 -49.869 -53.919 1.00 65.63 ? 703 NAG A O7 1 HETATM 4204 C C1 . NAG E 2 . ? -12.504 -43.198 -52.434 1.00 65.82 ? 704 NAG A C1 1 HETATM 4205 C C2 . NAG E 2 . ? -12.644 -41.834 -51.764 1.00 66.67 ? 704 NAG A C2 1 HETATM 4206 C C3 . NAG E 2 . ? -13.599 -40.949 -52.563 1.00 69.64 ? 704 NAG A C3 1 HETATM 4207 C C4 . NAG E 2 . ? -13.178 -40.889 -54.026 1.00 72.02 ? 704 NAG A C4 1 HETATM 4208 C C5 . NAG E 2 . ? -12.997 -42.294 -54.594 1.00 70.62 ? 704 NAG A C5 1 HETATM 4209 C C6 . NAG E 2 . ? -12.446 -42.300 -56.003 1.00 71.06 ? 704 NAG A C6 1 HETATM 4210 C C7 . NAG E 2 . ? -12.430 -41.551 -49.331 1.00 63.19 ? 704 NAG A C7 1 HETATM 4211 C C8 . NAG E 2 . ? -13.065 -41.803 -47.999 1.00 62.25 ? 704 NAG A C8 1 HETATM 4212 N N2 . NAG E 2 . ? -13.111 -41.985 -50.395 1.00 65.12 ? 704 NAG A N2 1 HETATM 4213 O O3 . NAG E 2 . ? -13.613 -39.636 -52.014 1.00 69.98 ? 704 NAG A O3 1 HETATM 4214 O O4 . NAG E 2 . ? -14.148 -40.183 -54.792 1.00 75.21 ? 704 NAG A O4 1 HETATM 4215 O O5 . NAG E 2 . ? -12.071 -43.030 -53.781 1.00 68.48 ? 704 NAG A O5 1 HETATM 4216 O O6 . NAG E 2 . ? -11.090 -42.725 -56.041 1.00 71.61 ? 704 NAG A O6 1 HETATM 4217 O O7 . NAG E 2 . ? -11.352 -40.978 -49.439 1.00 62.82 ? 704 NAG A O7 1 HETATM 4218 C C1 . BMA F 3 . ? -14.036 -38.834 -55.197 1.00 77.91 ? 705 BMA A C1 1 HETATM 4219 C C2 . BMA F 3 . ? -12.564 -38.624 -55.359 1.00 79.54 ? 705 BMA A C2 1 HETATM 4220 C C3 . BMA F 3 . ? -12.321 -37.636 -56.471 1.00 81.23 ? 705 BMA A C3 1 HETATM 4221 C C4 . BMA F 3 . ? -12.907 -38.250 -57.712 1.00 81.51 ? 705 BMA A C4 1 HETATM 4222 C C5 . BMA F 3 . ? -14.387 -38.048 -57.549 1.00 79.50 ? 705 BMA A C5 1 HETATM 4223 C C6 . BMA F 3 . ? -15.134 -38.550 -58.771 1.00 78.32 ? 705 BMA A C6 1 HETATM 4224 O O2 . BMA F 3 . ? -12.071 -39.916 -55.684 1.00 79.31 ? 705 BMA A O2 1 HETATM 4225 O O3 . BMA F 3 . ? -10.935 -37.385 -56.629 1.00 81.98 ? 705 BMA A O3 1 HETATM 4226 O O4 . BMA F 3 . ? -12.431 -37.616 -58.900 1.00 82.91 ? 705 BMA A O4 1 HETATM 4227 O O5 . BMA F 3 . ? -14.838 -38.754 -56.394 1.00 78.71 ? 705 BMA A O5 1 HETATM 4228 O O6 . BMA F 3 . ? -14.382 -38.354 -59.969 1.00 77.72 ? 705 BMA A O6 1 HETATM 4229 C C1 . NAG G 2 . ? -13.219 -61.697 -30.539 1.00 49.35 ? 706 NAG A C1 1 HETATM 4230 C C2 . NAG G 2 . ? -13.762 -63.107 -30.764 1.00 54.65 ? 706 NAG A C2 1 HETATM 4231 C C3 . NAG G 2 . ? -13.309 -64.036 -29.645 1.00 58.21 ? 706 NAG A C3 1 HETATM 4232 C C4 . NAG G 2 . ? -11.797 -63.978 -29.476 1.00 60.44 ? 706 NAG A C4 1 HETATM 4233 C C5 . NAG G 2 . ? -11.350 -62.530 -29.305 1.00 55.90 ? 706 NAG A C5 1 HETATM 4234 C C6 . NAG G 2 . ? -9.850 -62.374 -29.232 1.00 54.87 ? 706 NAG A C6 1 HETATM 4235 C C7 . NAG G 2 . ? -15.858 -63.385 -31.992 1.00 56.99 ? 706 NAG A C7 1 HETATM 4236 C C8 . NAG G 2 . ? -17.358 -63.356 -31.917 1.00 56.92 ? 706 NAG A C8 1 HETATM 4237 N N2 . NAG G 2 . ? -15.211 -63.107 -30.859 1.00 55.98 ? 706 NAG A N2 1 HETATM 4238 O O3 . NAG G 2 . ? -13.732 -65.362 -29.947 1.00 59.12 ? 706 NAG A O3 1 HETATM 4239 O O4 . NAG G 2 . ? -11.428 -64.708 -28.312 1.00 67.56 ? 706 NAG A O4 1 HETATM 4240 O O5 . NAG G 2 . ? -11.800 -61.744 -30.419 1.00 52.93 ? 706 NAG A O5 1 HETATM 4241 O O6 . NAG G 2 . ? -9.326 -61.821 -30.429 1.00 55.11 ? 706 NAG A O6 1 HETATM 4242 O O7 . NAG G 2 . ? -15.258 -63.640 -33.035 1.00 57.42 ? 706 NAG A O7 1 HETATM 4243 C C1 . NAG H 2 . ? -10.580 -65.808 -28.761 1.00 74.56 ? 707 NAG A C1 1 HETATM 4244 C C2 . NAG H 2 . ? -9.840 -66.248 -27.503 1.00 77.64 ? 707 NAG A C2 1 HETATM 4245 C C3 . NAG H 2 . ? -9.170 -67.598 -27.732 1.00 81.53 ? 707 NAG A C3 1 HETATM 4246 C C4 . NAG H 2 . ? -10.193 -68.615 -28.225 1.00 84.14 ? 707 NAG A C4 1 HETATM 4247 C C5 . NAG H 2 . ? -10.925 -68.066 -29.448 1.00 81.82 ? 707 NAG A C5 1 HETATM 4248 C C6 . NAG H 2 . ? -12.037 -68.964 -29.934 1.00 82.86 ? 707 NAG A C6 1 HETATM 4249 C C7 . NAG H 2 . ? -9.123 -64.308 -26.190 1.00 75.78 ? 707 NAG A C7 1 HETATM 4250 C C8 . NAG H 2 . ? -7.997 -63.366 -25.884 1.00 75.71 ? 707 NAG A C8 1 HETATM 4251 N N2 . NAG H 2 . ? -8.861 -65.255 -27.095 1.00 76.66 ? 707 NAG A N2 1 HETATM 4252 O O3 . NAG H 2 . ? -8.564 -68.027 -26.517 1.00 81.93 ? 707 NAG A O3 1 HETATM 4253 O O4 . NAG H 2 . ? -9.551 -69.836 -28.578 1.00 88.32 ? 707 NAG A O4 1 HETATM 4254 O O5 . NAG H 2 . ? -11.524 -66.802 -29.131 1.00 78.20 ? 707 NAG A O5 1 HETATM 4255 O O6 . NAG H 2 . ? -12.503 -68.549 -31.211 1.00 83.72 ? 707 NAG A O6 1 HETATM 4256 O O7 . NAG H 2 . ? -10.221 -64.215 -25.644 1.00 75.02 ? 707 NAG A O7 1 HETATM 4257 C C1 . BMA I 3 . ? -9.645 -70.784 -27.507 1.00 91.76 ? 708 BMA A C1 1 HETATM 4258 C C2 . BMA I 3 . ? -9.375 -72.098 -28.186 1.00 93.34 ? 708 BMA A C2 1 HETATM 4259 C C3 . BMA I 3 . ? -9.393 -73.224 -27.197 1.00 93.69 ? 708 BMA A C3 1 HETATM 4260 C C4 . BMA I 3 . ? -8.276 -72.975 -26.195 1.00 94.05 ? 708 BMA A C4 1 HETATM 4261 C C5 . BMA I 3 . ? -8.399 -71.577 -25.570 1.00 93.73 ? 708 BMA A C5 1 HETATM 4262 C C6 . BMA I 3 . ? -7.199 -71.213 -24.664 1.00 93.90 ? 708 BMA A C6 1 HETATM 4263 O O2 . BMA I 3 . ? -8.070 -72.040 -28.748 1.00 93.91 ? 708 BMA A O2 1 HETATM 4264 O O3 . BMA I 3 . ? -9.230 -74.447 -27.929 1.00 93.29 ? 708 BMA A O3 1 HETATM 4265 O O4 . BMA I 3 . ? -8.408 -73.964 -25.177 1.00 94.29 ? 708 BMA A O4 1 HETATM 4266 O O5 . BMA I 3 . ? -8.623 -70.570 -26.555 1.00 92.87 ? 708 BMA A O5 1 HETATM 4267 O O6 . BMA I 3 . ? -6.412 -70.088 -25.097 1.00 94.14 ? 708 BMA A O6 1 HETATM 4268 C C1 . MAN J 4 . ? -5.538 -69.593 -24.062 1.00 94.38 ? 709 MAN A C1 1 HETATM 4269 C C2 . MAN J 4 . ? -6.142 -68.377 -23.376 1.00 94.68 ? 709 MAN A C2 1 HETATM 4270 C C3 . MAN J 4 . ? -5.908 -67.014 -24.064 1.00 95.08 ? 709 MAN A C3 1 HETATM 4271 C C4 . MAN J 4 . ? -4.675 -66.993 -24.948 1.00 95.41 ? 709 MAN A C4 1 HETATM 4272 C C5 . MAN J 4 . ? -4.444 -68.326 -25.626 1.00 94.30 ? 709 MAN A C5 1 HETATM 4273 C C6 . MAN J 4 . ? -3.202 -68.337 -26.489 1.00 93.18 ? 709 MAN A C6 1 HETATM 4274 O O2 . MAN J 4 . ? -5.679 -68.404 -22.023 1.00 94.59 ? 709 MAN A O2 1 HETATM 4275 O O3 . MAN J 4 . ? -5.753 -65.949 -23.114 1.00 94.47 ? 709 MAN A O3 1 HETATM 4276 O O4 . MAN J 4 . ? -4.874 -65.977 -25.925 1.00 96.21 ? 709 MAN A O4 1 HETATM 4277 O O5 . MAN J 4 . ? -4.283 -69.270 -24.603 1.00 94.44 ? 709 MAN A O5 1 HETATM 4278 O O6 . MAN J 4 . ? -2.038 -68.224 -25.670 1.00 92.47 ? 709 MAN A O6 1 HETATM 4279 C C1 . MAN K 4 . ? -6.887 -65.095 -22.959 1.00 93.25 ? 710 MAN A C1 1 HETATM 4280 C C2 . MAN K 4 . ? -6.894 -64.318 -21.644 1.00 92.31 ? 710 MAN A C2 1 HETATM 4281 C C3 . MAN K 4 . ? -7.954 -64.793 -20.656 1.00 90.93 ? 710 MAN A C3 1 HETATM 4282 C C4 . MAN K 4 . ? -9.237 -65.157 -21.342 1.00 91.02 ? 710 MAN A C4 1 HETATM 4283 C C5 . MAN K 4 . ? -8.984 -66.125 -22.467 1.00 91.27 ? 710 MAN A C5 1 HETATM 4284 C C6 . MAN K 4 . ? -10.297 -66.443 -23.158 1.00 90.01 ? 710 MAN A C6 1 HETATM 4285 O O2 . MAN K 4 . ? -7.070 -62.938 -21.950 1.00 92.43 ? 710 MAN A O2 1 HETATM 4286 O O3 . MAN K 4 . ? -8.326 -63.792 -19.726 1.00 89.75 ? 710 MAN A O3 1 HETATM 4287 O O4 . MAN K 4 . ? -10.098 -65.726 -20.360 1.00 90.87 ? 710 MAN A O4 1 HETATM 4288 O O5 . MAN K 4 . ? -8.130 -65.556 -23.427 1.00 92.56 ? 710 MAN A O5 1 HETATM 4289 O O6 . MAN K 4 . ? -10.056 -67.215 -24.327 1.00 89.09 ? 710 MAN A O6 1 HETATM 4290 C C1 . NAG L 2 . ? 20.881 -40.349 -20.920 1.00 36.09 ? 711 NAG A C1 1 HETATM 4291 C C2 . NAG L 2 . ? 21.483 -39.763 -22.197 1.00 40.22 ? 711 NAG A C2 1 HETATM 4292 C C3 . NAG L 2 . ? 22.422 -40.774 -22.864 1.00 41.79 ? 711 NAG A C3 1 HETATM 4293 C C4 . NAG L 2 . ? 23.452 -41.281 -21.860 1.00 42.38 ? 711 NAG A C4 1 HETATM 4294 C C5 . NAG L 2 . ? 22.742 -41.827 -20.628 1.00 41.26 ? 711 NAG A C5 1 HETATM 4295 C C6 . NAG L 2 . ? 23.695 -42.290 -19.555 1.00 43.15 ? 711 NAG A C6 1 HETATM 4296 C C7 . NAG L 2 . ? 19.554 -40.110 -23.714 1.00 43.50 ? 711 NAG A C7 1 HETATM 4297 C C8 . NAG L 2 . ? 18.582 -39.433 -24.637 1.00 41.92 ? 711 NAG A C8 1 HETATM 4298 N N2 . NAG L 2 . ? 20.452 -39.308 -23.122 1.00 42.23 ? 711 NAG A N2 1 HETATM 4299 O O3 . NAG L 2 . ? 23.077 -40.162 -23.970 1.00 42.60 ? 711 NAG A O3 1 HETATM 4300 O O4 . NAG L 2 . ? 24.263 -42.307 -22.426 1.00 43.46 ? 711 NAG A O4 1 HETATM 4301 O O5 . NAG L 2 . ? 21.935 -40.792 -20.049 1.00 38.74 ? 711 NAG A O5 1 HETATM 4302 O O6 . NAG L 2 . ? 24.370 -41.178 -18.985 1.00 45.54 ? 711 NAG A O6 1 HETATM 4303 O O7 . NAG L 2 . ? 19.520 -41.327 -23.512 1.00 44.56 ? 711 NAG A O7 1 HETATM 4304 C C1 . NAG M 2 . ? -6.761 -12.185 -22.485 1.00 33.03 ? 712 NAG A C1 1 HETATM 4305 C C2 . NAG M 2 . ? -6.654 -12.249 -20.961 1.00 35.88 ? 712 NAG A C2 1 HETATM 4306 C C3 . NAG M 2 . ? -7.715 -11.372 -20.314 1.00 38.84 ? 712 NAG A C3 1 HETATM 4307 C C4 . NAG M 2 . ? -7.670 -9.960 -20.880 1.00 42.46 ? 712 NAG A C4 1 HETATM 4308 C C5 . NAG M 2 . ? -7.762 -10.015 -22.400 1.00 37.77 ? 712 NAG A C5 1 HETATM 4309 C C6 . NAG M 2 . ? -7.672 -8.661 -23.072 1.00 37.90 ? 712 NAG A C6 1 HETATM 4310 C C7 . NAG M 2 . ? -5.723 -14.323 -20.059 1.00 38.68 ? 712 NAG A C7 1 HETATM 4311 C C8 . NAG M 2 . ? -6.018 -15.713 -19.586 1.00 39.06 ? 712 NAG A C8 1 HETATM 4312 N N2 . NAG M 2 . ? -6.772 -13.614 -20.482 1.00 36.84 ? 712 NAG A N2 1 HETATM 4313 O O3 . NAG M 2 . ? -7.504 -11.345 -18.908 1.00 38.97 ? 712 NAG A O3 1 HETATM 4314 O O4 . NAG M 2 . ? -8.766 -9.208 -20.377 1.00 52.67 ? 712 NAG A O4 1 HETATM 4315 O O5 . NAG M 2 . ? -6.696 -10.826 -22.915 1.00 34.00 ? 712 NAG A O5 1 HETATM 4316 O O6 . NAG M 2 . ? -6.817 -7.766 -22.374 1.00 37.92 ? 712 NAG A O6 1 HETATM 4317 O O7 . NAG M 2 . ? -4.585 -13.865 -20.066 1.00 39.33 ? 712 NAG A O7 1 HETATM 4318 C C1 . NAG N 2 . ? -8.553 -8.090 -19.600 1.00 63.20 ? 713 NAG A C1 1 HETATM 4319 C C2 . NAG N 2 . ? -9.710 -7.103 -19.537 1.00 69.79 ? 713 NAG A C2 1 HETATM 4320 C C3 . NAG N 2 . ? -9.372 -5.968 -18.577 1.00 73.80 ? 713 NAG A C3 1 HETATM 4321 C C4 . NAG N 2 . ? -8.994 -6.527 -17.212 1.00 74.98 ? 713 NAG A C4 1 HETATM 4322 C C5 . NAG N 2 . ? -7.899 -7.590 -17.340 1.00 73.40 ? 713 NAG A C5 1 HETATM 4323 C C6 . NAG N 2 . ? -7.643 -8.320 -16.042 1.00 74.11 ? 713 NAG A C6 1 HETATM 4324 C C7 . NAG N 2 . ? -11.111 -6.968 -21.549 1.00 74.05 ? 713 NAG A C7 1 HETATM 4325 C C8 . NAG N 2 . ? -11.289 -6.331 -22.894 1.00 74.31 ? 713 NAG A C8 1 HETATM 4326 N N2 . NAG N 2 . ? -10.033 -6.583 -20.856 1.00 73.32 ? 713 NAG A N2 1 HETATM 4327 O O3 . NAG N 2 . ? -10.497 -5.107 -18.442 1.00 74.27 ? 713 NAG A O3 1 HETATM 4328 O O4 . NAG N 2 . ? -8.558 -5.471 -16.362 1.00 74.81 ? 713 NAG A O4 1 HETATM 4329 O O5 . NAG N 2 . ? -8.282 -8.592 -18.296 1.00 68.22 ? 713 NAG A O5 1 HETATM 4330 O O6 . NAG N 2 . ? -8.819 -8.964 -15.571 1.00 73.85 ? 713 NAG A O6 1 HETATM 4331 O O7 . NAG N 2 . ? -11.909 -7.794 -21.109 1.00 74.42 ? 713 NAG A O7 1 HETATM 4332 ZN ZN . ZN O 5 . ? -10.086 -36.806 -29.966 1.00 25.75 ? 714 ZN A ZN 1 HETATM 4333 ZN ZN . ZN P 5 . ? -9.592 -33.459 -30.395 1.00 24.54 ? 715 ZN A ZN 1 HETATM 4334 S S . SO4 Q 6 . ? -15.543 -39.061 -25.305 1.00 85.72 ? 716 SO4 A S 1 HETATM 4335 O O1 . SO4 Q 6 . ? -14.797 -40.023 -26.119 1.00 86.05 ? 716 SO4 A O1 1 HETATM 4336 O O2 . SO4 Q 6 . ? -16.242 -38.126 -26.185 1.00 85.77 ? 716 SO4 A O2 1 HETATM 4337 O O3 . SO4 Q 6 . ? -16.507 -39.785 -24.478 1.00 86.10 ? 716 SO4 A O3 1 HETATM 4338 O O4 . SO4 Q 6 . ? -14.637 -38.322 -24.430 1.00 85.40 ? 716 SO4 A O4 1 HETATM 4339 S S . SO4 R 6 . ? -33.364 -56.965 -53.664 0.50 85.10 ? 717 SO4 A S 1 HETATM 4340 O O1 . SO4 R 6 . ? -32.466 -56.284 -54.593 0.50 85.34 ? 717 SO4 A O1 1 HETATM 4341 O O2 . SO4 R 6 . ? -34.256 -57.834 -54.428 0.50 85.37 ? 717 SO4 A O2 1 HETATM 4342 O O3 . SO4 R 6 . ? -32.574 -57.773 -52.734 0.50 85.29 ? 717 SO4 A O3 1 HETATM 4343 O O4 . SO4 R 6 . ? -34.148 -55.977 -52.923 0.50 85.20 ? 717 SO4 A O4 1 HETATM 4344 S S . SO4 S 6 . ? -21.689 -35.820 -51.427 1.00 86.79 ? 718 SO4 A S 1 HETATM 4345 O O1 . SO4 S 6 . ? -20.525 -35.571 -52.274 1.00 87.04 ? 718 SO4 A O1 1 HETATM 4346 O O2 . SO4 S 6 . ? -22.788 -36.359 -52.219 1.00 87.53 ? 718 SO4 A O2 1 HETATM 4347 O O3 . SO4 S 6 . ? -21.332 -36.809 -50.420 1.00 86.86 ? 718 SO4 A O3 1 HETATM 4348 O O4 . SO4 S 6 . ? -22.133 -34.573 -50.804 1.00 86.53 ? 718 SO4 A O4 1 HETATM 4349 S S . SO4 T 6 . ? 15.119 -46.039 -2.333 0.83 48.57 ? 719 SO4 A S 1 HETATM 4350 O O1 . SO4 T 6 . ? 15.134 -45.198 -3.532 0.83 48.41 ? 719 SO4 A O1 1 HETATM 4351 O O2 . SO4 T 6 . ? 15.430 -47.422 -2.696 0.83 48.00 ? 719 SO4 A O2 1 HETATM 4352 O O3 . SO4 T 6 . ? 13.808 -45.974 -1.680 0.83 48.40 ? 719 SO4 A O3 1 HETATM 4353 O O4 . SO4 T 6 . ? 16.148 -45.554 -1.424 0.83 48.89 ? 719 SO4 A O4 1 HETATM 4354 S S . SO4 U 6 . ? -12.508 -58.445 -44.333 1.00 77.27 ? 720 SO4 A S 1 HETATM 4355 O O1 . SO4 U 6 . ? -11.740 -59.063 -45.415 1.00 77.34 ? 720 SO4 A O1 1 HETATM 4356 O O2 . SO4 U 6 . ? -13.751 -57.858 -44.830 1.00 77.24 ? 720 SO4 A O2 1 HETATM 4357 O O3 . SO4 U 6 . ? -12.803 -59.442 -43.308 1.00 77.41 ? 720 SO4 A O3 1 HETATM 4358 O O4 . SO4 U 6 . ? -11.703 -57.390 -43.737 1.00 77.89 ? 720 SO4 A O4 1 HETATM 4359 S S . SO4 V 6 . ? -24.815 -25.711 -12.181 1.00 69.54 ? 721 SO4 A S 1 HETATM 4360 O O1 . SO4 V 6 . ? -23.737 -24.911 -12.757 1.00 69.91 ? 721 SO4 A O1 1 HETATM 4361 O O2 . SO4 V 6 . ? -25.627 -26.242 -13.274 1.00 69.04 ? 721 SO4 A O2 1 HETATM 4362 O O3 . SO4 V 6 . ? -24.260 -26.804 -11.395 1.00 69.47 ? 721 SO4 A O3 1 HETATM 4363 O O4 . SO4 V 6 . ? -25.624 -24.881 -11.287 1.00 70.18 ? 721 SO4 A O4 1 HETATM 4364 S S . SO4 W 6 . ? -21.645 -19.479 -21.836 1.00 67.09 ? 722 SO4 A S 1 HETATM 4365 O O1 . SO4 W 6 . ? -22.640 -18.411 -21.915 1.00 68.52 ? 722 SO4 A O1 1 HETATM 4366 O O2 . SO4 W 6 . ? -21.679 -20.280 -23.056 1.00 66.47 ? 722 SO4 A O2 1 HETATM 4367 O O3 . SO4 W 6 . ? -21.972 -20.257 -20.639 1.00 66.36 ? 722 SO4 A O3 1 HETATM 4368 O O4 . SO4 W 6 . ? -20.296 -18.931 -21.745 1.00 67.49 ? 722 SO4 A O4 1 HETATM 4369 S S . SO4 X 6 . ? -15.410 -20.806 -0.360 1.00 129.62 ? 723 SO4 A S 1 HETATM 4370 O O1 . SO4 X 6 . ? -14.352 -20.499 -1.324 1.00 129.23 ? 723 SO4 A O1 1 HETATM 4371 O O2 . SO4 X 6 . ? -16.710 -20.360 -0.857 1.00 129.66 ? 723 SO4 A O2 1 HETATM 4372 O O3 . SO4 X 6 . ? -15.479 -22.248 -0.135 1.00 129.64 ? 723 SO4 A O3 1 HETATM 4373 O O4 . SO4 X 6 . ? -15.108 -20.128 0.899 1.00 129.75 ? 723 SO4 A O4 1 HETATM 4374 S S . SO4 Y 6 . ? -15.929 -30.167 2.674 1.00 126.14 ? 724 SO4 A S 1 HETATM 4375 O O1 . SO4 Y 6 . ? -15.471 -31.147 1.692 1.00 126.11 ? 724 SO4 A O1 1 HETATM 4376 O O2 . SO4 Y 6 . ? -17.022 -29.387 2.095 1.00 125.88 ? 724 SO4 A O2 1 HETATM 4377 O O3 . SO4 Y 6 . ? -16.380 -30.845 3.887 1.00 126.26 ? 724 SO4 A O3 1 HETATM 4378 O O4 . SO4 Y 6 . ? -14.818 -29.291 3.027 1.00 126.41 ? 724 SO4 A O4 1 HETATM 4379 S S . SO4 Z 6 . ? -16.432 -44.087 -51.622 1.00 96.94 ? 725 SO4 A S 1 HETATM 4380 O O1 . SO4 Z 6 . ? -16.196 -43.606 -52.987 1.00 96.52 ? 725 SO4 A O1 1 HETATM 4381 O O2 . SO4 Z 6 . ? -16.540 -45.547 -51.611 1.00 96.99 ? 725 SO4 A O2 1 HETATM 4382 O O3 . SO4 Z 6 . ? -17.668 -43.489 -51.112 1.00 97.00 ? 725 SO4 A O3 1 HETATM 4383 O O4 . SO4 Z 6 . ? -15.321 -43.706 -50.751 1.00 96.98 ? 725 SO4 A O4 1 HETATM 4384 S S . SO4 AA 6 . ? 20.211 -36.429 -20.945 1.00 30.00 ? 726 SO4 A S 1 HETATM 4385 O O1 . SO4 AA 6 . ? 20.342 -37.404 -22.027 1.00 30.00 ? 726 SO4 A O1 1 HETATM 4386 O O2 . SO4 AA 6 . ? 21.067 -35.267 -21.152 1.00 30.00 ? 726 SO4 A O2 1 HETATM 4387 O O3 . SO4 AA 6 . ? 20.630 -36.956 -19.679 1.00 30.00 ? 726 SO4 A O3 1 HETATM 4388 O O4 . SO4 AA 6 . ? 18.801 -36.055 -20.863 1.00 30.00 ? 726 SO4 A O4 1 HETATM 4389 P P1 . PC BA 7 . ? -12.417 -34.699 -30.377 1.00 45.87 ? 727 PC A P1 1 HETATM 4390 O O1 . PC BA 7 . ? -11.915 -33.714 -31.334 1.00 50.59 ? 727 PC A O1 1 HETATM 4391 O O3 . PC BA 7 . ? -12.706 -35.897 -31.165 1.00 46.07 ? 727 PC A O3 1 HETATM 4392 O O4 . PC BA 7 . ? -11.267 -35.124 -29.546 1.00 35.27 ? 727 PC A O4 1 HETATM 4393 O O2 . PC BA 7 . ? -13.735 -34.106 -29.586 1.00 49.57 ? 727 PC A O2 1 HETATM 4394 C C1 . PC BA 7 . ? -13.742 -32.820 -29.022 1.00 51.96 ? 727 PC A C1 1 HETATM 4395 C C2 . PC BA 7 . ? -13.894 -32.916 -27.490 1.00 54.12 ? 727 PC A C2 1 HETATM 4396 N N1 . PC BA 7 . ? -15.006 -33.746 -27.011 1.00 55.84 ? 727 PC A N1 1 HETATM 4397 C C3 . PC BA 7 . ? -16.198 -33.616 -27.828 1.00 56.56 ? 727 PC A C3 1 HETATM 4398 C C4 . PC BA 7 . ? -15.347 -33.296 -25.679 1.00 55.84 ? 727 PC A C4 1 HETATM 4399 C C5 . PC BA 7 . ? -14.615 -35.145 -26.933 1.00 55.58 ? 727 PC A C5 1 HETATM 4400 O O . HOH CA 8 . ? 6.954 -22.941 -41.019 1.00 45.61 ? 801 HOH A O 1 HETATM 4401 O O . HOH CA 8 . ? -8.508 -46.514 -40.690 1.00 44.91 ? 802 HOH A O 1 HETATM 4402 O O . HOH CA 8 . ? -15.044 -41.940 -27.426 1.00 50.09 ? 803 HOH A O 1 HETATM 4403 O O . HOH CA 8 . ? -2.699 -12.535 -22.216 1.00 33.35 ? 804 HOH A O 1 HETATM 4404 O O . HOH CA 8 . ? -14.839 -30.818 5.701 1.00 51.60 ? 805 HOH A O 1 HETATM 4405 O O . HOH CA 8 . ? -5.831 -59.904 -26.184 1.00 34.96 ? 806 HOH A O 1 HETATM 4406 O O . HOH CA 8 . ? 11.987 -33.508 -34.512 1.00 32.29 ? 807 HOH A O 1 HETATM 4407 O O . HOH CA 8 . ? -7.792 -33.410 -22.798 1.00 22.07 ? 808 HOH A O 1 HETATM 4408 O O . HOH CA 8 . ? -25.033 -17.000 -38.050 1.00 32.56 ? 809 HOH A O 1 HETATM 4409 O O . HOH CA 8 . ? 6.622 -59.755 -20.297 1.00 44.07 ? 810 HOH A O 1 HETATM 4410 O O . HOH CA 8 . ? 13.938 -51.253 -33.739 1.00 41.73 ? 811 HOH A O 1 HETATM 4411 O O . HOH CA 8 . ? 5.682 -53.165 -10.638 1.00 29.93 ? 812 HOH A O 1 HETATM 4412 O O . HOH CA 8 . ? -18.368 -20.624 -15.819 1.00 29.80 ? 813 HOH A O 1 HETATM 4413 O O . HOH CA 8 . ? -11.001 -32.529 -44.847 1.00 36.70 ? 814 HOH A O 1 HETATM 4414 O O . HOH CA 8 . ? -12.442 -44.191 -5.047 1.00 30.00 ? 815 HOH A O 1 HETATM 4415 O O . HOH CA 8 . ? -1.167 -14.647 -25.201 1.00 31.90 ? 816 HOH A O 1 HETATM 4416 O O . HOH CA 8 . ? 16.392 -32.418 -7.376 1.00 32.06 ? 817 HOH A O 1 HETATM 4417 O O . HOH CA 8 . ? -11.393 -44.922 -45.203 1.00 43.96 ? 818 HOH A O 1 HETATM 4418 O O . HOH CA 8 . ? 8.943 -52.182 -6.974 1.00 36.19 ? 819 HOH A O 1 HETATM 4419 O O . HOH CA 8 . ? -1.313 -15.841 -18.302 1.00 42.22 ? 820 HOH A O 1 HETATM 4420 O O . HOH CA 8 . ? 6.441 -46.347 -7.597 1.00 38.06 ? 821 HOH A O 1 HETATM 4421 O O . HOH CA 8 . ? -14.748 -14.219 -29.992 1.00 39.19 ? 822 HOH A O 1 HETATM 4422 O O . HOH CA 8 . ? 4.673 -21.018 -28.434 1.00 24.59 ? 823 HOH A O 1 HETATM 4423 O O . HOH CA 8 . ? -10.714 -52.908 -12.821 1.00 35.59 ? 824 HOH A O 1 HETATM 4424 O O . HOH CA 8 . ? -19.576 -44.644 -47.882 1.00 36.12 ? 825 HOH A O 1 HETATM 4425 O O . HOH CA 8 . ? 7.930 -40.803 -1.611 1.00 38.18 ? 826 HOH A O 1 HETATM 4426 O O . HOH CA 8 . ? -6.400 -66.727 -18.385 1.00 47.34 ? 827 HOH A O 1 HETATM 4427 O O . HOH CA 8 . ? -5.124 -30.160 -14.516 1.00 21.95 ? 828 HOH A O 1 HETATM 4428 O O . HOH CA 8 . ? -1.285 -12.146 -25.860 1.00 33.72 ? 829 HOH A O 1 HETATM 4429 O O . HOH CA 8 . ? -12.239 -38.061 -16.779 1.00 22.96 ? 830 HOH A O 1 HETATM 4430 O O . HOH CA 8 . ? -4.339 -43.073 -28.958 1.00 17.50 ? 831 HOH A O 1 HETATM 4431 O O . HOH CA 8 . ? -9.646 -31.562 -41.476 1.00 31.53 ? 832 HOH A O 1 HETATM 4432 O O . HOH CA 8 . ? -12.358 -46.405 -42.278 1.00 32.02 ? 833 HOH A O 1 HETATM 4433 O O . HOH CA 8 . ? 12.566 -39.226 -17.216 1.00 30.57 ? 834 HOH A O 1 HETATM 4434 O O . HOH CA 8 . ? -12.686 -52.730 -26.546 1.00 26.23 ? 835 HOH A O 1 HETATM 4435 O O . HOH CA 8 . ? -14.482 -32.924 -16.729 1.00 22.88 ? 836 HOH A O 1 HETATM 4436 O O . HOH CA 8 . ? -31.230 -30.351 -42.622 1.00 42.46 ? 837 HOH A O 1 HETATM 4437 O O . HOH CA 8 . ? 7.629 -35.151 -2.312 1.00 21.04 ? 838 HOH A O 1 HETATM 4438 O O . HOH CA 8 . ? 2.829 -47.394 -6.128 1.00 36.56 ? 839 HOH A O 1 HETATM 4439 O O . HOH CA 8 . ? -8.789 -33.371 -43.421 1.00 29.88 ? 840 HOH A O 1 HETATM 4440 O O . HOH CA 8 . ? -13.630 -19.250 -12.752 1.00 46.91 ? 841 HOH A O 1 HETATM 4441 O O . HOH CA 8 . ? -5.571 -61.853 -23.833 1.00 43.06 ? 842 HOH A O 1 HETATM 4442 O O . HOH CA 8 . ? -17.139 -24.263 -0.528 1.00 39.89 ? 843 HOH A O 1 HETATM 4443 O O . HOH CA 8 . ? -12.496 -24.015 -38.505 1.00 25.82 ? 844 HOH A O 1 HETATM 4444 O O . HOH CA 8 . ? -21.390 -25.287 -45.579 1.00 55.70 ? 845 HOH A O 1 HETATM 4445 O O . HOH CA 8 . ? -30.431 -47.146 -54.272 1.00 51.28 ? 846 HOH A O 1 HETATM 4446 O O . HOH CA 8 . ? -18.864 -24.335 -42.332 1.00 24.59 ? 847 HOH A O 1 HETATM 4447 O O . HOH CA 8 . ? -9.832 -47.506 -42.590 1.00 34.67 ? 848 HOH A O 1 HETATM 4448 O O . HOH CA 8 . ? -3.818 -56.372 -6.165 1.00 40.17 ? 849 HOH A O 1 HETATM 4449 O O . HOH CA 8 . ? -10.276 -44.042 -10.212 1.00 30.74 ? 850 HOH A O 1 HETATM 4450 O O . HOH CA 8 . ? -11.449 -36.615 -38.716 1.00 38.20 ? 851 HOH A O 1 HETATM 4451 O O . HOH CA 8 . ? 16.011 -40.126 -4.780 1.00 31.28 ? 852 HOH A O 1 HETATM 4452 O O . HOH CA 8 . ? -16.977 -44.220 -13.793 1.00 19.99 ? 853 HOH A O 1 HETATM 4453 O O . HOH CA 8 . ? 14.819 -34.817 -10.757 1.00 22.71 ? 854 HOH A O 1 HETATM 4454 O O . HOH CA 8 . ? 9.906 -51.467 -12.450 1.00 31.28 ? 855 HOH A O 1 HETATM 4455 O O . HOH CA 8 . ? -4.881 -38.171 1.255 1.00 19.46 ? 856 HOH A O 1 HETATM 4456 O O . HOH CA 8 . ? -8.874 -47.534 -16.653 1.00 23.85 ? 857 HOH A O 1 HETATM 4457 O O . HOH CA 8 . ? -14.712 -26.519 -46.848 1.00 54.89 ? 858 HOH A O 1 HETATM 4458 O O . HOH CA 8 . ? -6.748 -32.069 -25.492 1.00 25.38 ? 859 HOH A O 1 HETATM 4459 O O . HOH CA 8 . ? -14.675 -43.878 -25.767 1.00 32.31 ? 860 HOH A O 1 HETATM 4460 O O . HOH CA 8 . ? 9.021 -53.170 -21.726 1.00 29.99 ? 861 HOH A O 1 HETATM 4461 O O . HOH CA 8 . ? -11.046 -35.872 -15.812 1.00 18.15 ? 862 HOH A O 1 HETATM 4462 O O . HOH CA 8 . ? -0.843 -35.208 -20.907 1.00 14.99 ? 863 HOH A O 1 HETATM 4463 O O . HOH CA 8 . ? -16.185 -37.439 2.092 1.00 25.68 ? 864 HOH A O 1 HETATM 4464 O O . HOH CA 8 . ? -7.720 -32.738 0.516 1.00 26.97 ? 865 HOH A O 1 HETATM 4465 O O . HOH CA 8 . ? -22.896 -6.595 -31.277 1.00 46.62 ? 866 HOH A O 1 HETATM 4466 O O . HOH CA 8 . ? 4.385 -51.178 0.881 1.00 38.82 ? 867 HOH A O 1 HETATM 4467 O O . HOH CA 8 . ? -7.337 -29.641 -42.465 1.00 27.39 ? 868 HOH A O 1 HETATM 4468 O O . HOH CA 8 . ? -7.629 -49.331 -37.012 1.00 28.63 ? 869 HOH A O 1 HETATM 4469 O O . HOH CA 8 . ? -23.357 -18.233 -41.566 1.00 31.02 ? 870 HOH A O 1 HETATM 4470 O O . HOH CA 8 . ? 17.232 -38.815 -7.042 1.00 27.19 ? 871 HOH A O 1 HETATM 4471 O O . HOH CA 8 . ? 7.642 -32.111 -7.489 1.00 27.89 ? 872 HOH A O 1 HETATM 4472 O O . HOH CA 8 . ? -17.202 -40.700 -22.029 1.00 38.26 ? 873 HOH A O 1 HETATM 4473 O O . HOH CA 8 . ? -6.883 -53.093 -27.391 1.00 19.94 ? 874 HOH A O 1 HETATM 4474 O O . HOH CA 8 . ? -16.587 -58.719 -26.970 1.00 44.23 ? 875 HOH A O 1 HETATM 4475 O O . HOH CA 8 . ? -2.824 -33.343 -32.909 1.00 25.44 ? 876 HOH A O 1 HETATM 4476 O O . HOH CA 8 . ? -18.204 -45.649 -45.461 1.00 26.02 ? 877 HOH A O 1 HETATM 4477 O O . HOH CA 8 . ? 3.862 -37.504 -10.967 1.00 18.56 ? 878 HOH A O 1 HETATM 4478 O O . HOH CA 8 . ? -26.987 -59.387 -41.830 1.00 42.16 ? 879 HOH A O 1 HETATM 4479 O O . HOH CA 8 . ? 14.813 -46.426 -11.696 1.00 40.50 ? 880 HOH A O 1 HETATM 4480 O O . HOH CA 8 . ? 8.581 -58.673 -10.024 1.00 27.16 ? 881 HOH A O 1 HETATM 4481 O O . HOH CA 8 . ? 17.337 -31.155 -9.414 1.00 39.00 ? 882 HOH A O 1 HETATM 4482 O O . HOH CA 8 . ? 3.428 -52.678 -6.325 1.00 31.54 ? 883 HOH A O 1 HETATM 4483 O O . HOH CA 8 . ? -4.932 -52.927 -6.652 1.00 23.84 ? 884 HOH A O 1 HETATM 4484 O O . HOH CA 8 . ? 14.385 -23.681 -25.784 1.00 26.95 ? 885 HOH A O 1 HETATM 4485 O O . HOH CA 8 . ? 16.585 -51.036 -15.508 1.00 49.47 ? 886 HOH A O 1 HETATM 4486 O O . HOH CA 8 . ? 5.383 -24.615 -9.673 1.00 20.05 ? 887 HOH A O 1 HETATM 4487 O O . HOH CA 8 . ? 9.808 -33.124 -43.279 1.00 48.65 ? 888 HOH A O 1 HETATM 4488 O O . HOH CA 8 . ? 1.121 -40.794 -4.206 1.00 17.09 ? 889 HOH A O 1 HETATM 4489 O O . HOH CA 8 . ? -5.126 -27.547 -13.533 1.00 25.66 ? 890 HOH A O 1 HETATM 4490 O O . HOH CA 8 . ? 0.432 -9.843 -28.994 1.00 50.77 ? 891 HOH A O 1 HETATM 4491 O O . HOH CA 8 . ? -21.043 -51.629 -47.368 1.00 33.95 ? 892 HOH A O 1 HETATM 4492 O O . HOH CA 8 . ? -3.134 -54.374 -7.930 1.00 25.02 ? 893 HOH A O 1 HETATM 4493 O O . HOH CA 8 . ? 4.032 -38.975 -13.173 1.00 14.83 ? 894 HOH A O 1 HETATM 4494 O O . HOH CA 8 . ? -10.683 -21.174 -34.346 1.00 29.71 ? 895 HOH A O 1 HETATM 4495 O O . HOH CA 8 . ? -7.601 -27.122 -14.934 1.00 23.93 ? 896 HOH A O 1 HETATM 4496 O O . HOH CA 8 . ? -3.312 -31.281 -3.076 1.00 30.13 ? 897 HOH A O 1 HETATM 4497 O O . HOH CA 8 . ? -16.678 -10.498 -42.304 1.00 40.30 ? 898 HOH A O 1 HETATM 4498 O O . HOH CA 8 . ? 9.880 -38.707 -7.534 1.00 27.11 ? 899 HOH A O 1 HETATM 4499 O O . HOH CA 8 . ? 4.311 -28.559 -43.349 1.00 38.21 ? 900 HOH A O 1 HETATM 4500 O O . HOH CA 8 . ? -2.302 -54.436 -4.339 1.00 36.08 ? 901 HOH A O 1 HETATM 4501 O O . HOH CA 8 . ? 10.501 -53.936 -10.806 1.00 31.20 ? 902 HOH A O 1 HETATM 4502 O O . HOH CA 8 . ? -4.845 -25.005 -18.863 1.00 30.29 ? 903 HOH A O 1 HETATM 4503 O O . HOH CA 8 . ? -1.180 -59.432 -27.742 1.00 29.79 ? 904 HOH A O 1 HETATM 4504 O O . HOH CA 8 . ? -18.793 -36.764 -13.492 1.00 41.89 ? 905 HOH A O 1 HETATM 4505 O O . HOH CA 8 . ? 6.697 -51.762 -30.390 1.00 61.93 ? 906 HOH A O 1 HETATM 4506 O O . HOH CA 8 . ? 17.231 -42.737 -17.604 1.00 40.07 ? 907 HOH A O 1 HETATM 4507 O O . HOH CA 8 . ? -17.398 -42.608 -11.625 1.00 27.98 ? 908 HOH A O 1 HETATM 4508 O O . HOH CA 8 . ? 6.946 -20.743 -25.020 1.00 37.62 ? 909 HOH A O 1 HETATM 4509 O O . HOH CA 8 . ? 7.769 -59.980 -7.782 1.00 26.92 ? 910 HOH A O 1 HETATM 4510 O O . HOH CA 8 . ? -8.472 -10.968 -36.522 1.00 40.31 ? 911 HOH A O 1 HETATM 4511 O O . HOH CA 8 . ? 8.958 -62.757 -15.757 1.00 48.28 ? 912 HOH A O 1 HETATM 4512 O O . HOH CA 8 . ? -31.483 -67.999 -23.269 1.00 48.85 ? 913 HOH A O 1 HETATM 4513 O O . HOH CA 8 . ? 3.679 -52.732 -9.144 1.00 22.93 ? 914 HOH A O 1 HETATM 4514 O O . HOH CA 8 . ? 1.634 -45.899 -10.867 1.00 22.56 ? 915 HOH A O 1 HETATM 4515 O O . HOH CA 8 . ? -18.578 -59.867 -30.286 1.00 54.01 ? 916 HOH A O 1 HETATM 4516 O O . HOH CA 8 . ? 11.027 -39.434 -22.017 1.00 36.01 ? 917 HOH A O 1 HETATM 4517 O O . HOH CA 8 . ? -0.826 -44.561 -30.747 1.00 20.31 ? 918 HOH A O 1 HETATM 4518 O O . HOH CA 8 . ? 0.319 -26.277 -16.028 1.00 25.77 ? 919 HOH A O 1 HETATM 4519 O O . HOH CA 8 . ? 10.831 -22.401 -32.282 1.00 41.94 ? 920 HOH A O 1 HETATM 4520 O O . HOH CA 8 . ? 2.631 -18.097 -38.119 1.00 36.99 ? 921 HOH A O 1 HETATM 4521 O O . HOH CA 8 . ? 12.537 -51.694 -2.184 1.00 43.15 ? 922 HOH A O 1 HETATM 4522 O O . HOH CA 8 . ? -3.268 -32.422 -16.740 1.00 23.65 ? 923 HOH A O 1 HETATM 4523 O O . HOH CA 8 . ? 1.580 -39.520 -14.281 1.00 17.45 ? 924 HOH A O 1 HETATM 4524 O O . HOH CA 8 . ? 0.428 -60.735 -6.516 1.00 45.25 ? 925 HOH A O 1 HETATM 4525 O O . HOH CA 8 . ? -4.563 -55.289 -10.330 1.00 24.71 ? 926 HOH A O 1 HETATM 4526 O O . HOH CA 8 . ? 9.936 -30.415 -42.346 1.00 30.49 ? 927 HOH A O 1 HETATM 4527 O O . HOH CA 8 . ? 10.089 -59.977 -11.858 1.00 31.09 ? 928 HOH A O 1 HETATM 4528 O O . HOH CA 8 . ? -14.132 -34.389 -19.446 1.00 38.12 ? 929 HOH A O 1 HETATM 4529 O O . HOH CA 8 . ? 1.303 -60.727 -22.380 1.00 27.83 ? 930 HOH A O 1 HETATM 4530 O O . HOH CA 8 . ? -4.934 -23.398 -42.651 1.00 38.61 ? 931 HOH A O 1 HETATM 4531 O O . HOH CA 8 . ? -1.332 -38.983 -34.560 1.00 33.83 ? 932 HOH A O 1 HETATM 4532 O O . HOH CA 8 . ? 13.738 -39.956 -7.476 1.00 23.65 ? 933 HOH A O 1 HETATM 4533 O O . HOH CA 8 . ? -8.940 -15.428 -22.605 1.00 34.64 ? 934 HOH A O 1 HETATM 4534 O O . HOH CA 8 . ? -9.527 -14.444 -19.660 1.00 40.93 ? 935 HOH A O 1 HETATM 4535 O O . HOH CA 8 . ? 1.668 -20.309 -11.906 1.00 25.74 ? 936 HOH A O 1 HETATM 4536 O O . HOH CA 8 . ? 10.458 -51.629 -39.560 1.00 45.29 ? 937 HOH A O 1 HETATM 4537 O O . HOH CA 8 . ? -1.829 -7.752 -28.990 1.00 35.63 ? 938 HOH A O 1 HETATM 4538 O O . HOH CA 8 . ? 14.400 -28.068 -27.615 1.00 31.14 ? 939 HOH A O 1 HETATM 4539 O O . HOH CA 8 . ? 6.326 -35.392 -8.261 1.00 21.62 ? 940 HOH A O 1 HETATM 4540 O O . HOH CA 8 . ? -0.915 -36.235 -33.200 1.00 45.31 ? 941 HOH A O 1 HETATM 4541 O O . HOH CA 8 . ? 13.456 -33.138 -4.695 1.00 44.00 ? 942 HOH A O 1 HETATM 4542 O O . HOH CA 8 . ? 8.532 -44.468 -10.368 1.00 27.03 ? 943 HOH A O 1 HETATM 4543 O O . HOH CA 8 . ? -4.873 -38.093 -40.396 1.00 24.11 ? 944 HOH A O 1 HETATM 4544 O O . HOH CA 8 . ? 2.735 -66.011 -15.949 1.00 37.05 ? 945 HOH A O 1 HETATM 4545 O O . HOH CA 8 . ? -15.438 -39.940 -4.063 1.00 25.64 ? 946 HOH A O 1 HETATM 4546 O O . HOH CA 8 . ? -16.816 -55.056 -24.252 1.00 25.81 ? 947 HOH A O 1 HETATM 4547 O O . HOH CA 8 . ? -24.630 -20.784 -41.531 1.00 38.24 ? 948 HOH A O 1 HETATM 4548 O O . HOH CA 8 . ? 5.994 -45.314 -9.985 1.00 23.83 ? 949 HOH A O 1 HETATM 4549 O O . HOH CA 8 . ? -32.900 -56.985 -57.376 0.50 41.68 ? 950 HOH A O 1 HETATM 4550 O O . HOH CA 8 . ? 13.809 -48.049 -28.373 1.00 42.63 ? 951 HOH A O 1 HETATM 4551 O O . HOH CA 8 . ? -18.660 -56.806 -29.767 1.00 34.01 ? 952 HOH A O 1 HETATM 4552 O O . HOH CA 8 . ? -12.271 -52.979 -48.990 1.00 41.28 ? 953 HOH A O 1 HETATM 4553 O O . HOH CA 8 . ? -0.352 -60.593 -11.323 1.00 36.15 ? 954 HOH A O 1 HETATM 4554 O O . HOH CA 8 . ? -1.736 -29.048 -26.824 1.00 25.20 ? 955 HOH A O 1 HETATM 4555 O O . HOH CA 8 . ? 3.094 -27.643 -0.688 1.00 35.36 ? 956 HOH A O 1 HETATM 4556 O O . HOH CA 8 . ? -5.828 -48.629 -10.879 1.00 22.45 ? 957 HOH A O 1 HETATM 4557 O O . HOH CA 8 . ? -19.340 -27.965 -46.015 1.00 42.09 ? 958 HOH A O 1 HETATM 4558 O O . HOH CA 8 . ? 11.388 -38.074 -19.419 1.00 44.08 ? 959 HOH A O 1 HETATM 4559 O O . HOH CA 8 . ? 8.878 -31.147 -2.299 1.00 29.90 ? 960 HOH A O 1 HETATM 4560 O O . HOH CA 8 . ? -12.686 -32.018 1.984 1.00 52.90 ? 961 HOH A O 1 HETATM 4561 O O . HOH CA 8 . ? 1.771 -36.268 -2.406 1.00 30.35 ? 962 HOH A O 1 HETATM 4562 O O . HOH CA 8 . ? 20.812 -42.950 -17.437 1.00 46.51 ? 963 HOH A O 1 HETATM 4563 O O . HOH CA 8 . ? -19.854 -33.301 -1.580 1.00 40.03 ? 964 HOH A O 1 HETATM 4564 O O . HOH CA 8 . ? -18.219 -30.746 -16.049 1.00 34.61 ? 965 HOH A O 1 HETATM 4565 O O . HOH CA 8 . ? 14.036 -42.677 -7.278 1.00 35.52 ? 966 HOH A O 1 HETATM 4566 O O . HOH CA 8 . ? 4.105 -15.869 -33.362 1.00 40.26 ? 967 HOH A O 1 HETATM 4567 O O . HOH CA 8 . ? -17.295 -29.597 6.416 1.00 30.00 ? 968 HOH A O 1 HETATM 4568 O O . HOH CA 8 . ? 7.314 -16.981 -36.802 1.00 39.01 ? 969 HOH A O 1 HETATM 4569 O O . HOH CA 8 . ? -9.635 -42.336 -0.040 1.00 30.00 ? 970 HOH A O 1 HETATM 4570 O O . HOH CA 8 . ? 8.762 -36.620 -41.725 1.00 43.78 ? 971 HOH A O 1 HETATM 4571 O O . HOH CA 8 . ? 4.565 -57.612 -25.122 1.00 36.99 ? 972 HOH A O 1 HETATM 4572 O O . HOH CA 8 . ? -14.149 -40.858 -29.747 1.00 37.77 ? 973 HOH A O 1 HETATM 4573 O O . HOH CA 8 . ? -13.636 -16.315 -20.265 1.00 34.10 ? 974 HOH A O 1 HETATM 4574 O O . HOH CA 8 . ? -19.133 -7.682 -39.180 1.00 41.40 ? 975 HOH A O 1 HETATM 4575 O O . HOH CA 8 . ? -14.565 -32.189 -22.677 1.00 32.80 ? 976 HOH A O 1 HETATM 4576 O O . HOH CA 8 . ? -12.514 -43.783 -32.058 1.00 34.96 ? 977 HOH A O 1 HETATM 4577 O O . HOH CA 8 . ? 17.118 -50.770 -19.211 1.00 53.56 ? 978 HOH A O 1 HETATM 4578 O O . HOH CA 8 . ? -3.697 -26.136 -50.559 1.00 51.14 ? 979 HOH A O 1 HETATM 4579 O O . HOH CA 8 . ? 5.142 -26.756 -2.217 1.00 41.84 ? 980 HOH A O 1 HETATM 4580 O O . HOH CA 8 . ? -14.461 -52.921 -24.099 1.00 31.99 ? 981 HOH A O 1 HETATM 4581 O O . HOH CA 8 . ? 9.060 -60.285 -19.471 1.00 47.44 ? 982 HOH A O 1 HETATM 4582 O O . HOH CA 8 . ? -7.720 -42.293 -29.780 1.00 22.42 ? 983 HOH A O 1 HETATM 4583 O O . HOH CA 8 . ? -3.090 -31.936 -13.773 1.00 22.55 ? 984 HOH A O 1 HETATM 4584 O O . HOH CA 8 . ? -7.659 -37.979 1.894 1.00 22.65 ? 985 HOH A O 1 HETATM 4585 O O . HOH CA 8 . ? 17.368 -35.418 -17.745 1.00 37.01 ? 986 HOH A O 1 HETATM 4586 O O . HOH CA 8 . ? -17.745 -25.589 -44.170 1.00 32.10 ? 987 HOH A O 1 HETATM 4587 O O . HOH CA 8 . ? -0.836 -12.227 -28.458 1.00 34.31 ? 988 HOH A O 1 HETATM 4588 O O . HOH CA 8 . ? -18.590 -62.739 -22.261 1.00 44.22 ? 989 HOH A O 1 HETATM 4589 O O . HOH CA 8 . ? -12.059 -62.821 -21.787 1.00 37.68 ? 990 HOH A O 1 HETATM 4590 O O . HOH CA 8 . ? -21.039 -23.728 -16.713 1.00 36.01 ? 991 HOH A O 1 HETATM 4591 O O . HOH CA 8 . ? 0.161 -61.377 -8.954 1.00 47.54 ? 992 HOH A O 1 HETATM 4592 O O . HOH CA 8 . ? -31.531 -61.446 -50.129 1.00 44.51 ? 993 HOH A O 1 HETATM 4593 O O . HOH CA 8 . ? -18.373 -42.330 -34.961 1.00 50.79 ? 994 HOH A O 1 HETATM 4594 O O . HOH CA 8 . ? -24.817 -28.605 -37.087 1.00 37.32 ? 995 HOH A O 1 HETATM 4595 O O . HOH CA 8 . ? -6.319 -31.675 -44.022 1.00 30.43 ? 996 HOH A O 1 HETATM 4596 O O . HOH CA 8 . ? -0.201 -34.604 -1.503 1.00 28.14 ? 997 HOH A O 1 HETATM 4597 O O . HOH CA 8 . ? -29.024 -39.978 -51.244 1.00 38.58 ? 998 HOH A O 1 HETATM 4598 O O . HOH CA 8 . ? -11.586 -41.547 -3.539 1.00 30.00 ? 999 HOH A O 1 HETATM 4599 O O . HOH CA 8 . ? -2.359 -20.234 -42.488 1.00 27.12 ? 1000 HOH A O 1 HETATM 4600 O O . HOH CA 8 . ? -23.863 -15.920 -45.304 1.00 56.73 ? 1001 HOH A O 1 HETATM 4601 O O . HOH CA 8 . ? 8.546 -38.206 -4.378 1.00 25.88 ? 1002 HOH A O 1 HETATM 4602 O O . HOH CA 8 . ? 5.440 -16.621 -28.563 1.00 40.39 ? 1003 HOH A O 1 HETATM 4603 O O . HOH CA 8 . ? 18.571 -30.935 -15.589 1.00 38.97 ? 1004 HOH A O 1 HETATM 4604 O O . HOH CA 8 . ? -17.371 -52.809 -23.123 1.00 9.11 ? 1005 HOH A O 1 HETATM 4605 O O . HOH CA 8 . ? -7.719 -4.707 -22.461 1.00 48.55 ? 1006 HOH A O 1 HETATM 4606 O O . HOH CA 8 . ? -14.797 -56.623 -17.954 1.00 27.31 ? 1007 HOH A O 1 HETATM 4607 O O . HOH CA 8 . ? -4.789 -54.979 -45.424 1.00 53.73 ? 1008 HOH A O 1 HETATM 4608 O O . HOH CA 8 . ? -17.384 -18.671 -47.334 1.00 29.96 ? 1009 HOH A O 1 HETATM 4609 O O . HOH CA 8 . ? 11.496 -44.392 -7.103 1.00 30.28 ? 1010 HOH A O 1 HETATM 4610 O O . HOH CA 8 . ? -21.562 -41.726 -6.364 1.00 44.29 ? 1011 HOH A O 1 HETATM 4611 O O . HOH CA 8 . ? -10.845 -12.821 -22.635 1.00 37.66 ? 1012 HOH A O 1 HETATM 4612 O O . HOH CA 8 . ? 5.171 -16.943 -31.743 1.00 33.76 ? 1013 HOH A O 1 HETATM 4613 O O . HOH CA 8 . ? -5.469 -63.190 -14.795 1.00 57.29 ? 1014 HOH A O 1 HETATM 4614 O O . HOH CA 8 . ? -17.615 -61.421 -39.997 1.00 40.22 ? 1015 HOH A O 1 HETATM 4615 O O . HOH CA 8 . ? 6.952 -53.969 -28.942 1.00 43.75 ? 1016 HOH A O 1 HETATM 4616 O O . HOH CA 8 . ? -1.219 -17.843 -43.535 1.00 26.90 ? 1017 HOH A O 1 HETATM 4617 O O . HOH CA 8 . ? 4.771 -15.458 -19.999 1.00 41.35 ? 1018 HOH A O 1 HETATM 4618 O O . HOH CA 8 . ? -17.560 -32.194 -35.456 1.00 44.93 ? 1019 HOH A O 1 HETATM 4619 O O . HOH CA 8 . ? -14.763 -28.867 -26.106 1.00 33.80 ? 1020 HOH A O 1 HETATM 4620 O O . HOH CA 8 . ? -2.958 -22.749 -3.301 1.00 35.47 ? 1021 HOH A O 1 HETATM 4621 O O . HOH CA 8 . ? -17.581 -39.251 -14.367 1.00 31.51 ? 1022 HOH A O 1 HETATM 4622 O O . HOH CA 8 . ? 4.640 -25.167 -3.974 1.00 36.61 ? 1023 HOH A O 1 HETATM 4623 O O . HOH CA 8 . ? -1.443 -65.866 -28.053 1.00 47.91 ? 1024 HOH A O 1 HETATM 4624 O O . HOH CA 8 . ? -21.191 -60.279 -20.409 1.00 39.65 ? 1025 HOH A O 1 HETATM 4625 O O . HOH CA 8 . ? -13.210 -62.107 -35.307 1.00 30.00 ? 1026 HOH A O 1 HETATM 4626 O O . HOH CA 8 . ? -0.907 -32.478 -1.428 1.00 14.86 ? 1027 HOH A O 1 HETATM 4627 O O . HOH CA 8 . ? 2.507 -39.322 -2.053 1.00 38.83 ? 1028 HOH A O 1 HETATM 4628 O O . HOH CA 8 . ? 17.450 -51.038 -12.964 1.00 55.15 ? 1029 HOH A O 1 HETATM 4629 O O . HOH CA 8 . ? -23.276 -22.338 -43.468 1.00 43.40 ? 1030 HOH A O 1 HETATM 4630 O O . HOH CA 8 . ? 6.663 -27.356 -42.474 1.00 36.69 ? 1031 HOH A O 1 HETATM 4631 O O . HOH CA 8 . ? -5.508 -22.504 -1.745 1.00 38.83 ? 1032 HOH A O 1 HETATM 4632 O O . HOH CA 8 . ? -11.564 -55.315 -11.970 1.00 35.82 ? 1033 HOH A O 1 HETATM 4633 O O . HOH CA 8 . ? -2.324 -42.090 0.192 1.00 39.81 ? 1034 HOH A O 1 HETATM 4634 O O . HOH CA 8 . ? 9.159 -28.621 -43.529 1.00 40.94 ? 1035 HOH A O 1 HETATM 4635 O O . HOH CA 8 . ? 4.245 -13.456 -20.390 1.00 42.14 ? 1036 HOH A O 1 HETATM 4636 O O . HOH CA 8 . ? -13.280 -51.453 -50.514 1.00 36.82 ? 1037 HOH A O 1 HETATM 4637 O O . HOH CA 8 . ? -4.926 -40.550 0.512 1.00 34.63 ? 1038 HOH A O 1 HETATM 4638 O O . HOH CA 8 . ? 4.569 -31.992 -46.456 1.00 45.04 ? 1039 HOH A O 1 HETATM 4639 O O . HOH CA 8 . ? 18.374 -49.951 -16.664 1.00 51.50 ? 1040 HOH A O 1 HETATM 4640 O O . HOH CA 8 . ? -0.326 -20.866 -43.463 1.00 48.19 ? 1041 HOH A O 1 HETATM 4641 O O . HOH CA 8 . ? -3.714 -28.629 -51.038 1.00 39.68 ? 1042 HOH A O 1 HETATM 4642 O O . HOH CA 8 . ? 4.510 -17.331 -36.267 1.00 42.03 ? 1043 HOH A O 1 HETATM 4643 O O . HOH CA 8 . ? 6.066 -24.623 -5.499 1.00 37.93 ? 1044 HOH A O 1 HETATM 4644 O O . HOH CA 8 . ? 12.481 -29.625 -41.521 1.00 45.03 ? 1045 HOH A O 1 HETATM 4645 O O . HOH CA 8 . ? 8.036 -58.875 -5.349 1.00 41.24 ? 1046 HOH A O 1 HETATM 4646 O O . HOH CA 8 . ? 12.547 -26.085 -14.633 1.00 43.75 ? 1047 HOH A O 1 HETATM 4647 O O . HOH CA 8 . ? -16.401 -34.410 -34.760 1.00 32.55 ? 1048 HOH A O 1 HETATM 4648 O O . HOH CA 8 . ? 10.298 -56.666 -9.204 1.00 35.54 ? 1049 HOH A O 1 HETATM 4649 O O . HOH CA 8 . ? -19.883 -30.908 -1.535 1.00 46.12 ? 1050 HOH A O 1 HETATM 4650 O O . HOH CA 8 . ? 6.473 -24.448 -42.983 1.00 38.64 ? 1051 HOH A O 1 HETATM 4651 O O . HOH CA 8 . ? 9.791 -33.752 -3.585 1.00 40.85 ? 1052 HOH A O 1 HETATM 4652 O O . HOH CA 8 . ? 14.245 -32.766 -9.287 1.00 22.39 ? 1053 HOH A O 1 HETATM 4653 O O . HOH CA 8 . ? -20.454 -29.938 -16.065 1.00 43.94 ? 1054 HOH A O 1 HETATM 4654 O O . HOH CA 8 . ? -1.883 -61.467 -9.723 1.00 48.06 ? 1055 HOH A O 1 HETATM 4655 O O . HOH CA 8 . ? -21.203 -37.069 -11.911 1.00 45.09 ? 1056 HOH A O 1 HETATM 4656 O O . HOH CA 8 . ? 4.802 -29.557 -45.789 1.00 43.43 ? 1057 HOH A O 1 HETATM 4657 O O . HOH CA 8 . ? 8.182 -36.749 -6.856 1.00 22.42 ? 1058 HOH A O 1 HETATM 4658 O O . HOH CA 8 . ? 11.999 -32.778 -7.199 1.00 40.30 ? 1059 HOH A O 1 HETATM 4659 O O . HOH CA 8 . ? -20.710 -24.471 -18.872 1.00 41.76 ? 1060 HOH A O 1 HETATM 4660 O O . HOH CA 8 . ? 9.297 -34.126 -6.279 1.00 24.53 ? 1061 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 . TRP A 38 ? 1.3550 1.2914 1.5229 -0.4333 0.1766 0.0243 84 TRP A N 2 C CA . TRP A 38 ? 1.3506 1.2560 1.4240 -0.4295 0.1520 0.0159 84 TRP A CA 3 C C . TRP A 38 ? 1.2851 1.2059 1.3249 -0.4129 0.1525 0.0092 84 TRP A C 4 O O . TRP A 38 ? 1.2303 1.1805 1.2831 -0.4047 0.1209 0.0047 84 TRP A O 5 C CB . TRP A 38 ? 1.3598 1.2743 1.4525 -0.4336 0.1036 0.0132 84 TRP A CB 6 C CG . TRP A 38 ? 1.4292 1.2908 1.4530 -0.4453 0.0896 0.0131 84 TRP A CG 7 C CD1 . TRP A 38 ? 1.4415 1.2792 1.3966 -0.4426 0.0519 0.0074 84 TRP A CD1 8 C CD2 . TRP A 38 ? 1.4861 1.3093 1.5001 -0.4603 0.1127 0.0200 84 TRP A CD2 9 N NE1 . TRP A 38 ? 1.4953 1.2815 1.3998 -0.4542 0.0479 0.0098 84 TRP A NE1 10 C CE2 . TRP A 38 ? 1.5213 1.2971 1.4593 -0.4659 0.0852 0.0175 84 TRP A CE2 11 C CE3 . TRP A 38 ? 1.5091 1.3321 1.5695 -0.4688 0.1535 0.0288 84 TRP A CE3 12 C CZ2 . TRP A 38 ? 1.5732 1.3005 1.4801 -0.4800 0.0971 0.0231 84 TRP A CZ2 13 C CZ3 . TRP A 38 ? 1.5663 1.3424 1.5956 -0.4836 0.1673 0.0345 84 TRP A CZ3 14 C CH2 . TRP A 38 ? 1.5968 1.3252 1.5507 -0.4893 0.1389 0.0315 84 TRP A CH2 15 N N . GLY A 39 ? 1.2927 1.1898 1.2864 -0.4078 0.1882 0.0084 85 GLY A N 16 C CA . GLY A 39 ? 1.2447 1.1455 1.1947 -0.3934 0.1884 0.0018 85 GLY A CA 17 C C . GLY A 39 ? 1.2347 1.0990 1.0897 -0.3932 0.1639 -0.0033 85 GLY A C 18 O O . GLY A 39 ? 1.2199 1.0798 1.0325 -0.3830 0.1644 -0.0080 85 GLY A O 19 N N . ASN A 40 ? 1.2450 1.0808 1.0671 -0.4041 0.1411 -0.0021 86 ASN A N 20 C CA . ASN A 40 ? 1.2357 1.0391 0.9776 -0.4035 0.1111 -0.0063 86 ASN A CA 21 C C . ASN A 40 ? 1.1062 0.9569 0.8763 -0.3914 0.0781 -0.0115 86 ASN A C 22 O O . ASN A 40 ? 1.1033 0.9410 0.8213 -0.3733 0.0514 -0.0172 86 ASN A O 23 C CB . ASN A 40 ? 1.3382 1.0975 1.0428 -0.4158 0.0923 -0.0041 86 ASN A CB 24 C CG . ASN A 40 ? 1.4559 1.1812 1.1597 -0.4270 0.1241 0.0024 86 ASN A CG 25 O OD1 . ASN A 40 ? 1.4427 1.2025 1.2294 -0.4316 0.1413 0.0067 86 ASN A OD1 26 N ND2 . ASN A 40 ? 1.5814 1.2357 1.1925 -0.4310 0.1293 0.0035 86 ASN A ND2 27 N N . LEU A 41 ? 0.9992 0.9058 0.8530 -0.3881 0.0769 -0.0106 87 LEU A N 28 C CA . LEU A 41 ? 0.8984 0.8450 0.7761 -0.3772 0.0467 -0.0146 87 LEU A CA 29 C C . LEU A 41 ? 0.8259 0.8038 0.7172 -0.3640 0.0594 -0.0168 87 LEU A C 30 O O . LEU A 41 ? 0.7756 0.7834 0.6802 -0.3502 0.0367 -0.0196 87 LEU A O 31 C CB . LEU A 41 ? 0.8630 0.8433 0.8191 -0.3775 0.0281 -0.0119 87 LEU A CB 32 C CG . LEU A 41 ? 0.8782 0.8364 0.8222 -0.3847 -0.0036 -0.0121 87 LEU A CG 33 C CD1 . LEU A 41 ? 0.8598 0.8518 0.8785 -0.3806 -0.0283 -0.0111 87 LEU A CD1 34 C CD2 . LEU A 41 ? 0.8787 0.8100 0.7429 -0.3761 -0.0298 -0.0185 87 LEU A CD2 35 N N . THR A 42 ? 0.8189 0.7871 0.7055 -0.3624 0.0944 -0.0156 88 THR A N 36 C CA . THR A 42 ? 0.7801 0.7766 0.6843 -0.3486 0.1054 -0.0179 88 THR A CA 37 C C . THR A 42 ? 0.7568 0.7486 0.6074 -0.3347 0.0850 -0.0231 88 THR A C 38 O O . THR A 42 ? 0.7363 0.7643 0.6137 -0.3228 0.0741 -0.0249 88 THR A O 39 C CB . THR A 42 ? 0.8166 0.7914 0.7123 -0.3468 0.1449 -0.0170 88 THR A CB 40 O OG1 . THR A 42 ? 0.8907 0.8060 0.6950 -0.3522 0.1528 -0.0185 88 THR A OG1 41 C CG2 . THR A 42 ? 0.8205 0.8002 0.7758 -0.3538 0.1650 -0.0115 88 THR A CG2 42 N N . CYS A 43 ? 0.7667 0.7127 0.5451 -0.3297 0.0770 -0.0258 89 CYS A N 43 C CA . CYS A 43 ? 0.7396 0.6825 0.4785 -0.3092 0.0545 -0.0321 89 CYS A CA 44 C C . CYS A 43 ? 0.6961 0.6671 0.4533 -0.3000 0.0243 -0.0345 89 CYS A C 45 O O . CYS A 43 ? 0.6746 0.6730 0.4431 -0.2858 0.0156 -0.0376 89 CYS A O 46 C CB . CYS A 43 ? 0.8078 0.6910 0.4694 -0.3055 0.0505 -0.0352 89 CYS A CB 47 S SG . CYS A 43 ? 0.8210 0.7003 0.4476 -0.2805 0.0223 -0.0444 89 CYS A SG 48 N N . PRO A 44 ? 0.6830 0.6441 0.4396 -0.3072 0.0086 -0.0334 90 PRO A N 49 C CA . PRO A 44 ? 0.6572 0.6413 0.4295 -0.2991 -0.0172 -0.0355 90 PRO A CA 50 C C . PRO A 44 ? 0.6208 0.6507 0.4473 -0.2971 -0.0170 -0.0328 90 PRO A C 51 O O . PRO A 44 ? 0.6095 0.6553 0.4308 -0.2829 -0.0289 -0.0357 90 PRO A O 52 C CB . PRO A 44 ? 0.6693 0.6335 0.4435 -0.3132 -0.0296 -0.0330 90 PRO A CB 53 C CG . PRO A 44 ? 0.7041 0.6246 0.4374 -0.3216 -0.0168 -0.0323 90 PRO A CG 54 C CD . PRO A 44 ? 0.7101 0.6273 0.4347 -0.3203 0.0106 -0.0314 90 PRO A CD 55 N N . ILE A 45 ? 0.5992 0.6487 0.4793 -0.3108 -0.0031 -0.0275 91 ILE A N 56 C CA . ILE A 45 ? 0.5589 0.6479 0.4922 -0.3085 -0.0085 -0.0251 91 ILE A CA 57 C C . ILE A 45 ? 0.5257 0.6328 0.4556 -0.2954 0.0037 -0.0268 91 ILE A C 58 O O . ILE A 45 ? 0.5039 0.6326 0.4454 -0.2858 -0.0085 -0.0266 91 ILE A O 59 C CB . ILE A 45 ? 0.5585 0.6638 0.5601 -0.3206 0.0026 -0.0200 91 ILE A CB 60 C CG1 . ILE A 45 ? 0.5923 0.6881 0.6130 -0.3279 -0.0218 -0.0182 91 ILE A CG1 61 C CG2 . ILE A 45 ? 0.5212 0.6612 0.5756 -0.3087 0.0035 -0.0179 91 ILE A CG2 62 C CD1 . ILE A 45 ? 0.5897 0.7002 0.6301 -0.3186 -0.0540 -0.0177 91 ILE A CD1 63 N N . CYS A 46 ? 0.5298 0.6227 0.4397 -0.2953 0.0273 -0.0282 92 CYS A N 64 C CA . CYS A 46 ? 0.5189 0.6231 0.4226 -0.2831 0.0364 -0.0306 92 CYS A CA 65 C C . CYS A 46 ? 0.5144 0.6198 0.3886 -0.2674 0.0170 -0.0347 92 CYS A C 66 O O . CYS A 46 ? 0.4787 0.6090 0.3708 -0.2586 0.0143 -0.0346 92 CYS A O 67 C CB . CYS A 46 ? 0.5496 0.6222 0.4172 -0.2842 0.0586 -0.0328 92 CYS A CB 68 S SG . CYS A 46 ? 0.5412 0.6239 0.4046 -0.2702 0.0661 -0.0364 92 CYS A SG 69 N N . LYS A 47 ? 0.5437 0.6204 0.3735 -0.2635 0.0058 -0.0388 93 LYS A N 70 C CA . LYS A 47 ? 0.5434 0.6214 0.3520 -0.2482 -0.0090 -0.0440 93 LYS A CA 71 C C . LYS A 47 ? 0.5254 0.6245 0.3521 -0.2457 -0.0213 -0.0418 93 LYS A C 72 O O . LYS A 47 ? 0.5132 0.6271 0.3417 -0.2346 -0.0233 -0.0435 93 LYS A O 73 C CB . LYS A 47 ? 0.5791 0.6202 0.3410 -0.2440 -0.0196 -0.0497 93 LYS A CB 74 C CG . LYS A 47 ? 0.6096 0.6195 0.3390 -0.2416 -0.0138 -0.0532 93 LYS A CG 75 C CD . LYS A 47 ? 0.6505 0.6312 0.3412 -0.2298 -0.0319 -0.0611 93 LYS A CD 76 C CE . LYS A 47 ? 0.7061 0.6439 0.3565 -0.2270 -0.0334 -0.0642 93 LYS A CE 77 N NZ . LYS A 47 ? 0.7120 0.6593 0.3717 -0.2204 -0.0290 -0.0665 93 LYS A NZ 78 N N . GLY A 48 ? 0.5230 0.6195 0.3622 -0.2566 -0.0299 -0.0378 94 GLY A N 79 C CA . GLY A 48 ? 0.5087 0.6154 0.3573 -0.2546 -0.0455 -0.0354 94 GLY A CA 80 C C . GLY A 48 ? 0.4665 0.6032 0.3518 -0.2530 -0.0403 -0.0308 94 GLY A C 81 O O . GLY A 48 ? 0.4409 0.5822 0.3179 -0.2451 -0.0479 -0.0298 94 GLY A O 82 N N . LEU A 49 ? 0.4533 0.6066 0.3764 -0.2603 -0.0256 -0.0280 95 LEU A N 83 C CA . LEU A 49 ? 0.4180 0.5984 0.3780 -0.2581 -0.0207 -0.0243 95 LEU A CA 84 C C . LEU A 49 ? 0.3924 0.5792 0.3334 -0.2450 -0.0149 -0.0264 95 LEU A C 85 O O . LEU A 49 ? 0.3743 0.5696 0.3170 -0.2396 -0.0222 -0.0235 95 LEU A O 86 C CB . LEU A 49 ? 0.4033 0.5959 0.4035 -0.2660 -0.0010 -0.0229 95 LEU A CB 87 C CG . LEU A 49 ? 0.4266 0.6206 0.4720 -0.2716 -0.0045 -0.0190 95 LEU A CG 88 C CD1 . LEU A 49 ? 0.4433 0.6383 0.5181 -0.2727 0.0232 -0.0190 95 LEU A CD1 89 C CD2 . LEU A 49 ? 0.4122 0.6213 0.4944 -0.2663 -0.0243 -0.0147 95 LEU A CD2 90 N N . PHE A 50 ? 0.3928 0.5717 0.3150 -0.2403 -0.0030 -0.0313 96 PHE A N 91 C CA . PHE A 50 ? 0.4044 0.5916 0.3210 -0.2290 0.0013 -0.0339 96 PHE A CA 92 C C . PHE A 50 ? 0.4468 0.6273 0.3379 -0.2197 -0.0066 -0.0370 96 PHE A C 93 O O . PHE A 50 ? 0.4456 0.6379 0.3430 -0.2120 -0.0022 -0.0373 96 PHE A O 94 C CB . PHE A 50 ? 0.4022 0.5773 0.3071 -0.2265 0.0109 -0.0391 96 PHE A CB 95 C CG . PHE A 50 ? 0.3613 0.5402 0.2872 -0.2336 0.0252 -0.0367 96 PHE A CG 96 C CD1 . PHE A 50 ? 0.3423 0.5394 0.2935 -0.2302 0.0321 -0.0353 96 PHE A CD1 97 C CD2 . PHE A 50 ? 0.4207 0.5837 0.3431 -0.2442 0.0341 -0.0358 96 PHE A CD2 98 C CE1 . PHE A 50 ? 0.3435 0.5418 0.3137 -0.2354 0.0477 -0.0343 96 PHE A CE1 99 C CE2 . PHE A 50 ? 0.4234 0.5885 0.3671 -0.2504 0.0533 -0.0344 96 PHE A CE2 100 C CZ . PHE A 50 ? 0.3643 0.5468 0.3312 -0.2452 0.0601 -0.0342 96 PHE A CZ 101 N N . THR A 51 ? 0.4776 0.6379 0.3415 -0.2204 -0.0163 -0.0394 97 THR A N 102 C CA . THR A 51 ? 0.4819 0.6332 0.3208 -0.2112 -0.0208 -0.0425 97 THR A CA 103 C C . THR A 51 ? 0.5064 0.6628 0.3471 -0.2120 -0.0242 -0.0360 97 THR A C 104 O O . THR A 51 ? 0.5167 0.6743 0.3476 -0.2040 -0.0168 -0.0363 97 THR A O 105 C CB . THR A 51 ? 0.4758 0.5992 0.2815 -0.2116 -0.0318 -0.0472 97 THR A CB 106 O OG1 . THR A 51 ? 0.4701 0.5824 0.2661 -0.2075 -0.0299 -0.0539 97 THR A OG1 107 C CG2 . THR A 51 ? 0.4709 0.5794 0.2462 -0.2025 -0.0353 -0.0503 97 THR A CG2 108 N N . ALA A 52 ? 0.5237 0.6806 0.3784 -0.2219 -0.0354 -0.0299 98 ALA A N 109 C CA . ALA A 52 ? 0.5445 0.7012 0.4005 -0.2226 -0.0439 -0.0232 98 ALA A CA 110 C C . ALA A 52 ? 0.5284 0.7086 0.4119 -0.2201 -0.0313 -0.0192 98 ALA A C 111 O O . ALA A 52 ? 0.5321 0.7069 0.4014 -0.2161 -0.0304 -0.0151 98 ALA A O 112 C CB . ALA A 52 ? 0.5513 0.7040 0.4274 -0.2334 -0.0638 -0.0188 98 ALA A CB 113 N N . ILE A 53 ? 0.5165 0.7174 0.4341 -0.2227 -0.0209 -0.0203 99 ILE A N 114 C CA . ILE A 53 ? 0.5159 0.7366 0.4583 -0.2197 -0.0098 -0.0178 99 ILE A CA 115 C C . ILE A 53 ? 0.5347 0.7542 0.4598 -0.2107 0.0005 -0.0201 99 ILE A C 116 O O . ILE A 53 ? 0.5402 0.7637 0.4683 -0.2088 0.0050 -0.0150 99 ILE A O 117 C CB . ILE A 53 ? 0.5079 0.7406 0.4760 -0.2222 0.0007 -0.0210 99 ILE A CB 118 C CG1 . ILE A 53 ? 0.5030 0.7400 0.4989 -0.2317 -0.0016 -0.0187 99 ILE A CG1 119 C CG2 . ILE A 53 ? 0.4891 0.7371 0.4771 -0.2177 0.0103 -0.0201 99 ILE A CG2 120 C CD1 . ILE A 53 ? 0.5106 0.7543 0.5297 -0.2351 -0.0151 -0.0121 99 ILE A CD1 121 N N . ASN A 54 ? 0.5437 0.7564 0.4539 -0.2054 0.0049 -0.0280 100 ASN A N 122 C CA . ASN A 54 ? 0.5531 0.7682 0.4603 -0.1964 0.0162 -0.0322 100 ASN A CA 123 C C . ASN A 54 ? 0.5586 0.7609 0.4402 -0.1939 0.0213 -0.0281 100 ASN A C 124 O O . ASN A 54 ? 0.5629 0.7723 0.4539 -0.1914 0.0348 -0.0251 100 ASN A O 125 C CB . ASN A 54 ? 0.6094 0.8147 0.5053 -0.1902 0.0145 -0.0422 100 ASN A CB 126 C CG . ASN A 54 ? 0.6727 0.8837 0.5791 -0.1798 0.0259 -0.0486 100 ASN A CG 127 O OD1 . ASN A 54 ? 0.6560 0.8805 0.5928 -0.1763 0.0281 -0.0524 100 ASN A OD1 128 N ND2 . ASN A 54 ? 0.7192 0.9174 0.6020 -0.1746 0.0331 -0.0504 100 ASN A ND2 129 N N . LEU A 55 ? 0.5710 0.7489 0.4159 -0.1950 0.0109 -0.0277 101 LEU A N 130 C CA . LEU A 55 ? 0.6044 0.7572 0.4091 -0.1919 0.0154 -0.0245 101 LEU A CA 131 C C . LEU A 55 ? 0.5984 0.7487 0.4031 -0.1967 0.0132 -0.0137 101 LEU A C 132 O O . LEU A 55 ? 0.6216 0.7574 0.4032 -0.1937 0.0279 -0.0099 101 LEU A O 133 C CB . LEU A 55 ? 0.6527 0.7731 0.4136 -0.1924 -0.0014 -0.0267 101 LEU A CB 134 C CG . LEU A 55 ? 0.6614 0.7730 0.4087 -0.1862 -0.0001 -0.0374 101 LEU A CG 135 C CD1 . LEU A 55 ? 0.7005 0.7753 0.4012 -0.1877 -0.0190 -0.0385 101 LEU A CD1 136 C CD2 . LEU A 55 ? 0.6672 0.7809 0.4128 -0.1747 0.0247 -0.0441 101 LEU A CD2 137 N N . GLY A 56 ? 0.5733 0.7341 0.4028 -0.2041 -0.0041 -0.0087 102 GLY A N 138 C CA . GLY A 56 ? 0.5746 0.7321 0.4083 -0.2076 -0.0104 0.0010 102 GLY A CA 139 C C . GLY A 56 ? 0.5653 0.7427 0.4245 -0.2058 0.0096 0.0037 102 GLY A C 140 O O . GLY A 56 ? 0.5994 0.7611 0.4396 -0.2061 0.0147 0.0113 102 GLY A O 141 N N . LEU A 57 ? 0.5211 0.7278 0.4197 -0.2045 0.0199 -0.0023 103 LEU A N 142 C CA . LEU A 57 ? 0.4978 0.7231 0.4266 -0.2037 0.0342 -0.0002 103 LEU A CA 143 C C . LEU A 57 ? 0.5202 0.7402 0.4384 -0.1992 0.0564 -0.0014 103 LEU A C 144 O O . LEU A 57 ? 0.5130 0.7455 0.4572 -0.2000 0.0690 0.0015 103 LEU A O 145 C CB . LEU A 57 ? 0.4440 0.6941 0.4129 -0.2034 0.0341 -0.0067 103 LEU A CB 146 C CG . LEU A 57 ? 0.4264 0.6836 0.4145 -0.2084 0.0212 -0.0048 103 LEU A CG 147 C CD1 . LEU A 57 ? 0.4145 0.6845 0.4265 -0.2075 0.0248 -0.0119 103 LEU A CD1 148 C CD2 . LEU A 57 ? 0.4182 0.6771 0.4199 -0.2112 0.0167 0.0042 103 LEU A CD2 149 N N . LYS A 58 ? 0.5494 0.7510 0.4339 -0.1946 0.0631 -0.0061 104 LYS A N 150 C CA . LYS A 58 ? 0.5771 0.7703 0.4516 -0.1903 0.0896 -0.0071 104 LYS A CA 151 C C . LYS A 58 ? 0.6208 0.7826 0.4528 -0.1939 0.0986 0.0041 104 LYS A C 152 O O . LYS A 58 ? 0.6436 0.8000 0.4748 -0.1931 0.1263 0.0061 104 LYS A O 153 C CB . LYS A 58 ? 0.6159 0.7953 0.4656 -0.1826 0.0959 -0.0170 104 LYS A CB 154 C CG . LYS A 58 ? 0.6059 0.8101 0.4956 -0.1769 0.0926 -0.0289 104 LYS A CG 155 C CD . LYS A 58 ? 0.6633 0.8512 0.5299 -0.1677 0.1023 -0.0387 104 LYS A CD 156 C CE . LYS A 58 ? 0.6680 0.8769 0.5770 -0.1605 0.0970 -0.0510 104 LYS A CE 157 N NZ . LYS A 58 ? 0.7129 0.9110 0.6151 -0.1490 0.1106 -0.0621 104 LYS A NZ 158 N N . LYS A 59 ? 0.6473 0.7851 0.4445 -0.1979 0.0754 0.0112 105 LYS A N 159 C CA . LYS A 59 ? 0.6972 0.7931 0.4416 -0.2008 0.0768 0.0222 105 LYS A CA 160 C C . LYS A 59 ? 0.6922 0.8015 0.4674 -0.2061 0.0817 0.0313 105 LYS A C 161 O O . LYS A 59 ? 0.6538 0.7900 0.4725 -0.2088 0.0631 0.0322 105 LYS A O 162 C CB . LYS A 59 ? 0.7154 0.7793 0.4185 -0.2025 0.0421 0.0257 105 LYS A CB 163 C CG . LYS A 59 ? 0.7607 0.7898 0.4081 -0.1977 0.0388 0.0195 105 LYS A CG 164 C CD . LYS A 59 ? 0.7582 0.7911 0.4149 -0.1996 0.0043 0.0154 105 LYS A CD 165 C CE . LYS A 59 ? 0.8507 0.8247 0.4321 -0.1981 -0.0163 0.0162 105 LYS A CE 166 N NZ . LYS A 59 ? 0.8524 0.8307 0.4491 -0.2010 -0.0491 0.0113 105 LYS A NZ 167 N N . GLU A 60 ? 0.7359 0.8236 0.4875 -0.2077 0.1089 0.0378 106 GLU A N 168 C CA . GLU A 60 ? 0.7330 0.8298 0.5124 -0.2135 0.1155 0.0468 106 GLU A CA 169 C C . GLU A 60 ? 0.7294 0.8087 0.4949 -0.2172 0.0830 0.0562 106 GLU A C 170 O O . GLU A 60 ? 0.6935 0.7998 0.5079 -0.2200 0.0762 0.0588 106 GLU A O 171 C CB . GLU A 60 ? 0.8154 0.8838 0.5647 -0.2163 0.1539 0.0533 106 GLU A CB 172 C CG . GLU A 60 ? 0.8390 0.9243 0.6316 -0.2233 0.1676 0.0609 106 GLU A CG 173 C CD . GLU A 60 ? 0.7768 0.9226 0.6597 -0.2224 0.1696 0.0514 106 GLU A CD 174 O OE1 . GLU A 60 ? 0.7541 0.9256 0.6634 -0.2161 0.1699 0.0389 106 GLU A OE1 175 O OE2 . GLU A 60 ? 0.7477 0.9102 0.6713 -0.2277 0.1683 0.0562 106 GLU A OE2 176 N N . PRO A 61 ? 0.7691 0.8027 0.4733 -0.2165 0.0599 0.0609 107 PRO A N 177 C CA . PRO A 61 ? 0.7729 0.7965 0.4817 -0.2187 0.0234 0.0679 107 PRO A CA 178 C C . PRO A 61 ? 0.7297 0.8038 0.5100 -0.2178 0.0024 0.0603 107 PRO A C 179 O O . PRO A 61 ? 0.6986 0.7833 0.5126 -0.2191 -0.0165 0.0642 107 PRO A O 180 C CB . PRO A 61 ? 0.8323 0.7943 0.4618 -0.2171 -0.0005 0.0718 107 PRO A CB 181 C CG . PRO A 61 ? 0.8490 0.8004 0.4432 -0.2133 0.0202 0.0636 107 PRO A CG 182 C CD . PRO A 61 ? 0.8280 0.8091 0.4525 -0.2136 0.0650 0.0608 107 PRO A CD 183 N N . ASN A 62 ? 0.7351 0.8370 0.5377 -0.2153 0.0071 0.0493 108 ASN A N 184 C CA . ASN A 62 ? 0.7227 0.8687 0.5889 -0.2154 -0.0038 0.0421 108 ASN A CA 185 C C . ASN A 62 ? 0.6219 0.8028 0.5385 -0.2158 0.0137 0.0406 108 ASN A C 186 O O . ASN A 62 ? 0.5582 0.7618 0.5188 -0.2163 0.0033 0.0395 108 ASN A O 187 C CB . ASN A 62 ? 0.8102 0.9687 0.6784 -0.2133 -0.0022 0.0316 108 ASN A CB 188 C CG . ASN A 62 ? 0.9375 1.0676 0.7719 -0.2139 -0.0279 0.0317 108 ASN A CG 189 O OD1 . ASN A 62 ? 0.9859 1.1021 0.8224 -0.2162 -0.0543 0.0371 108 ASN A OD1 190 N ND2 . ASN A 62 ? 0.9975 1.1172 0.8034 -0.2116 -0.0229 0.0250 108 ASN A ND2 191 N N . VAL A 63 ? 0.5943 0.7788 0.5081 -0.2152 0.0405 0.0396 109 VAL A N 192 C CA . VAL A 63 ? 0.5298 0.7427 0.4917 -0.2161 0.0535 0.0381 109 VAL A CA 193 C C . VAL A 63 ? 0.5572 0.7606 0.5255 -0.2196 0.0458 0.0483 109 VAL A C 194 O O . VAL A 63 ? 0.5353 0.7610 0.5468 -0.2197 0.0409 0.0464 109 VAL A O 195 C CB . VAL A 63 ? 0.4916 0.7089 0.4571 -0.2155 0.0823 0.0352 109 VAL A CB 196 C CG1 . VAL A 63 ? 0.4435 0.6850 0.4604 -0.2177 0.0913 0.0348 109 VAL A CG1 197 C CG2 . VAL A 63 ? 0.4650 0.6940 0.4327 -0.2101 0.0863 0.0233 109 VAL A CG2 198 N N . ALA A 64 ? 0.6203 0.7843 0.5400 -0.2221 0.0435 0.0589 110 ALA A N 199 C CA . ALA A 64 ? 0.6479 0.7956 0.5676 -0.2250 0.0329 0.0694 110 ALA A CA 200 C C . ALA A 64 ? 0.6205 0.7804 0.5710 -0.2224 0.0023 0.0675 110 ALA A C 201 O O . ALA A 64 ? 0.5936 0.7648 0.5790 -0.2224 -0.0039 0.0696 110 ALA A O 202 C CB . ALA A 64 ? 0.7279 0.8194 0.5760 -0.2279 0.0340 0.0813 110 ALA A CB 203 N N . ARG A 65 ? 0.6267 0.7845 0.5691 -0.2200 -0.0160 0.0629 111 ARG A N 204 C CA . ARG A 65 ? 0.6164 0.7926 0.6022 -0.2179 -0.0401 0.0591 111 ARG A CA 205 C C . ARG A 65 ? 0.5217 0.7403 0.5658 -0.2164 -0.0273 0.0505 111 ARG A C 206 O O . ARG A 65 ? 0.4833 0.7134 0.5662 -0.2146 -0.0366 0.0503 111 ARG A O 207 C CB . ARG A 65 ? 0.6875 0.8580 0.6616 -0.2175 -0.0570 0.0545 111 ARG A CB 208 C CG . ARG A 65 ? 0.8089 0.9368 0.7481 -0.2174 -0.0903 0.0621 111 ARG A CG 209 C CD . ARG A 65 ? 0.8752 1.0017 0.8210 -0.2177 -0.1138 0.0566 111 ARG A CD 210 N NE . ARG A 65 ? 1.0066 1.0815 0.8793 -0.2179 -0.1297 0.0606 111 ARG A NE 211 C CZ . ARG A 65 ? 1.0692 1.1319 0.8959 -0.2179 -0.1116 0.0571 111 ARG A CZ 212 N NH1 . ARG A 65 ? 1.0520 1.1518 0.9027 -0.2178 -0.0799 0.0500 111 ARG A NH1 213 N NH2 . ARG A 65 ? 1.1369 1.1461 0.8912 -0.2172 -0.1262 0.0602 111 ARG A NH2 214 N N . VAL A 66 ? 0.4849 0.7220 0.5326 -0.2163 -0.0071 0.0428 112 VAL A N 215 C CA . VAL A 66 ? 0.4382 0.7036 0.5271 -0.2145 0.0035 0.0345 112 VAL A CA 216 C C . VAL A 66 ? 0.4443 0.7104 0.5518 -0.2147 0.0074 0.0390 112 VAL A C 217 O O . VAL A 66 ? 0.4311 0.7095 0.5722 -0.2123 0.0040 0.0353 112 VAL A O 218 C CB . VAL A 66 ? 0.4156 0.6913 0.4980 -0.2137 0.0195 0.0263 112 VAL A CB 219 C CG1 . VAL A 66 ? 0.3826 0.6639 0.4905 -0.2021 0.0238 0.0164 112 VAL A CG1 220 C CG2 . VAL A 66 ? 0.4211 0.6910 0.4802 -0.2137 0.0145 0.0228 112 VAL A CG2 221 N N . GLY A 67 ? 0.4599 0.7095 0.5443 -0.2180 0.0163 0.0469 113 GLY A N 222 C CA . GLY A 67 ? 0.4478 0.6957 0.5499 -0.2199 0.0206 0.0519 113 GLY A CA 223 C C . GLY A 67 ? 0.4530 0.6889 0.5635 -0.2185 0.0015 0.0582 113 GLY A C 224 O O . GLY A 67 ? 0.4494 0.6929 0.5903 -0.2171 -0.0001 0.0570 113 GLY A O 225 N N . SER A 68 ? 0.4756 0.6896 0.5601 -0.2180 -0.0162 0.0642 114 SER A N 226 C CA . SER A 68 ? 0.5037 0.7012 0.5968 -0.2158 -0.0392 0.0706 114 SER A CA 227 C C . SER A 68 ? 0.4530 0.6786 0.6027 -0.2098 -0.0477 0.0612 114 SER A C 228 O O . SER A 68 ? 0.4354 0.6609 0.6117 -0.2067 -0.0537 0.0622 114 SER A O 229 C CB . SER A 68 ? 0.5755 0.7389 0.6276 -0.2159 -0.0620 0.0777 114 SER A CB 230 O OG . SER A 68 ? 0.6447 0.7730 0.6343 -0.2209 -0.0503 0.0865 114 SER A OG 231 N N . VAL A 69 ? 0.4281 0.6743 0.5954 -0.2080 -0.0469 0.0521 115 VAL A N 232 C CA . VAL A 69 ? 0.3995 0.6706 0.6189 -0.2031 -0.0461 0.0423 115 VAL A CA 233 C C . VAL A 69 ? 0.3735 0.6564 0.6077 -0.2013 -0.0273 0.0363 115 VAL A C 234 O O . VAL A 69 ? 0.3743 0.6624 0.6417 -0.1962 -0.0283 0.0324 115 VAL A O 235 C CB . VAL A 69 ? 0.3953 0.6820 0.6245 -0.2040 -0.0430 0.0345 115 VAL A CB 236 C CG1 . VAL A 69 ? 0.3742 0.6820 0.6516 -0.1992 -0.0318 0.0237 115 VAL A CG1 237 C CG2 . VAL A 69 ? 0.4231 0.6952 0.6447 -0.2053 -0.0683 0.0398 115 VAL A CG2 238 N N . ALA A 70 ? 0.3514 0.6359 0.5622 -0.2047 -0.0118 0.0347 116 ALA A N 239 C CA . ALA A 70 ? 0.3457 0.6321 0.5666 -0.1999 0.0006 0.0274 116 ALA A CA 240 C C . ALA A 70 ? 0.3661 0.6461 0.6005 -0.2026 -0.0051 0.0338 116 ALA A C 241 O O . ALA A 70 ? 0.3619 0.6436 0.6170 -0.1983 -0.0027 0.0272 116 ALA A O 242 C CB . ALA A 70 ? 0.3468 0.6280 0.5438 -0.1981 0.0123 0.0244 116 ALA A CB 243 N N . ILE A 71 ? 0.3909 0.6534 0.6062 -0.2068 -0.0127 0.0461 117 ILE A N 244 C CA . ILE A 71 ? 0.4072 0.6537 0.6283 -0.2077 -0.0186 0.0534 117 ILE A CA 245 C C . ILE A 71 ? 0.4241 0.6689 0.6740 -0.2000 -0.0345 0.0513 117 ILE A C 246 O O . ILE A 71 ? 0.4232 0.6645 0.6935 -0.1965 -0.0360 0.0490 117 ILE A O 247 C CB . ILE A 71 ? 0.4384 0.6581 0.6216 -0.2151 -0.0200 0.0682 117 ILE A CB 248 C CG1 . ILE A 71 ? 0.4400 0.6635 0.6083 -0.2223 0.0020 0.0689 117 ILE A CG1 249 C CG2 . ILE A 71 ? 0.3843 0.5799 0.5688 -0.2162 -0.0306 0.0776 117 ILE A CG2 250 C CD1 . ILE A 71 ? 0.4826 0.6781 0.6051 -0.2293 0.0095 0.0815 117 ILE A CD1 251 N N . LYS A 72 ? 0.4452 0.6923 0.7019 -0.1965 -0.0475 0.0511 118 LYS A N 252 C CA . LYS A 72 ? 0.4688 0.7175 0.7651 -0.1882 -0.0629 0.0480 118 LYS A CA 253 C C . LYS A 72 ? 0.4531 0.7227 0.7864 -0.1816 -0.0469 0.0336 118 LYS A C 254 O O . LYS A 72 ? 0.4625 0.7297 0.8260 -0.1742 -0.0509 0.0298 118 LYS A O 255 C CB . LYS A 72 ? 0.4954 0.7424 0.7987 -0.1868 -0.0828 0.0501 118 LYS A CB 256 C CG . LYS A 72 ? 0.5631 0.7733 0.8229 -0.1907 -0.1057 0.0648 118 LYS A CG 257 C CD . LYS A 72 ? 0.6019 0.7864 0.8342 -0.1942 -0.1025 0.0746 118 LYS A CD 258 C CE . LYS A 72 ? 0.6599 0.7985 0.8327 -0.2000 -0.1178 0.0901 118 LYS A CE 259 N NZ . LYS A 72 ? 0.6837 0.7936 0.8325 -0.2047 -0.1135 0.1007 118 LYS A NZ 260 N N . LEU A 73 ? 0.4375 0.7221 0.7632 -0.1836 -0.0282 0.0253 119 LEU A N 261 C CA . LEU A 73 ? 0.4442 0.7364 0.7880 -0.1778 -0.0107 0.0122 119 LEU A CA 262 C C . LEU A 73 ? 0.4524 0.7309 0.7843 -0.1770 -0.0069 0.0105 119 LEU A C 263 O O . LEU A 73 ? 0.4493 0.7220 0.7970 -0.1696 -0.0006 0.0017 119 LEU A O 264 C CB . LEU A 73 ? 0.4507 0.7531 0.7795 -0.1808 0.0058 0.0048 119 LEU A CB 265 C CG . LEU A 73 ? 0.4705 0.7869 0.8234 -0.1810 0.0046 0.0033 119 LEU A CG 266 C CD1 . LEU A 73 ? 0.4732 0.7901 0.8020 -0.1828 0.0195 -0.0018 119 LEU A CD1 267 C CD2 . LEU A 73 ? 0.4801 0.8035 0.8833 -0.1728 0.0103 -0.0043 119 LEU A CD2 268 N N . CYS A 74 ? 0.4429 0.7142 0.7486 -0.1846 -0.0097 0.0184 120 CYS A N 269 C CA . CYS A 74 ? 0.4373 0.6953 0.7399 -0.1858 -0.0103 0.0184 120 CYS A CA 270 C C . CYS A 74 ? 0.4726 0.7171 0.7938 -0.1813 -0.0226 0.0226 120 CYS A C 271 O O . CYS A 74 ? 0.4943 0.7277 0.8244 -0.1766 -0.0224 0.0161 120 CYS A O 272 C CB . CYS A 74 ? 0.4179 0.6737 0.7007 -0.1961 -0.0090 0.0275 120 CYS A CB 273 S SG . CYS A 74 ? 0.4127 0.6561 0.7024 -0.2006 -0.0098 0.0274 120 CYS A SG 274 N N . ASN A 75 ? 0.4937 0.7336 0.8176 -0.1821 -0.0361 0.0331 121 ASN A N 275 C CA . ASN A 75 ? 0.5242 0.7476 0.8659 -0.1767 -0.0517 0.0371 121 ASN A CA 276 C C . ASN A 75 ? 0.5453 0.7779 0.9257 -0.1639 -0.0503 0.0245 121 ASN A C 277 O O . ASN A 75 ? 0.5624 0.7828 0.9601 -0.1565 -0.0541 0.0203 121 ASN A O 278 C CB . ASN A 75 ? 0.5336 0.7412 0.8605 -0.1805 -0.0707 0.0517 121 ASN A CB 279 C CG . ASN A 75 ? 0.5511 0.7399 0.8376 -0.1929 -0.0673 0.0652 121 ASN A CG 280 O OD1 . ASN A 75 ? 0.5599 0.7420 0.8445 -0.1978 -0.0594 0.0664 121 ASN A OD1 281 N ND2 . ASN A 75 ? 0.5639 0.7418 0.8183 -0.1984 -0.0721 0.0749 121 ASN A ND2 282 N N . LEU A 76 ? 0.5516 0.8042 0.9477 -0.1611 -0.0428 0.0179 122 LEU A N 283 C CA . LEU A 76 ? 0.5685 0.8315 1.0092 -0.1497 -0.0358 0.0059 122 LEU A CA 284 C C . LEU A 76 ? 0.5877 0.8439 1.0233 -0.1440 -0.0139 -0.0076 122 LEU A C 285 O O . LEU A 76 ? 0.6035 0.8517 1.0652 -0.1334 -0.0108 -0.0155 122 LEU A O 286 C CB . LEU A 76 ? 0.5515 0.8369 1.0123 -0.1507 -0.0300 0.0025 122 LEU A CB 287 C CG . LEU A 76 ? 0.5541 0.8519 1.0789 -0.1405 -0.0344 -0.0040 122 LEU A CG 288 C CD1 . LEU A 76 ? 0.5675 0.8522 1.1101 -0.1370 -0.0692 0.0059 122 LEU A CD1 289 C CD2 . LEU A 76 ? 0.5446 0.8655 1.0953 -0.1435 -0.0258 -0.0082 122 LEU A CD2 290 N N . LEU A 77 ? 0.5971 0.8516 0.9963 -0.1501 -0.0001 -0.0109 123 LEU A N 291 C CA . LEU A 77 ? 0.6278 0.8646 1.0079 -0.1452 0.0154 -0.0232 123 LEU A CA 292 C C . LEU A 77 ? 0.6359 0.8499 1.0013 -0.1459 0.0023 -0.0206 123 LEU A C 293 O O . LEU A 77 ? 0.6511 0.8447 0.9913 -0.1439 0.0082 -0.0295 123 LEU A O 294 C CB . LEU A 77 ? 0.6520 0.8894 0.9968 -0.1510 0.0292 -0.0278 123 LEU A CB 295 C CG . LEU A 77 ? 0.6672 0.9243 1.0230 -0.1524 0.0434 -0.0301 123 LEU A CG 296 C CD1 . LEU A 77 ? 0.6869 0.9364 1.0017 -0.1571 0.0562 -0.0355 123 LEU A CD1 297 C CD2 . LEU A 77 ? 0.6709 0.9316 1.0657 -0.1428 0.0600 -0.0393 123 LEU A CD2 298 N N . LYS A 78 ? 0.6335 0.8460 1.0114 -0.1490 -0.0168 -0.0083 124 LYS A N 299 C CA . LYS A 78 ? 0.6383 0.8285 1.0088 -0.1512 -0.0299 -0.0039 124 LYS A CA 300 C C . LYS A 78 ? 0.6354 0.8146 0.9786 -0.1575 -0.0269 -0.0079 124 LYS A C 301 O O . LYS A 78 ? 0.6637 0.8192 1.0020 -0.1545 -0.0326 -0.0136 124 LYS A O 302 C CB . LYS A 78 ? 0.6538 0.8263 1.0451 -0.1381 -0.0326 -0.0122 124 LYS A CB 303 C CG . LYS A 78 ? 0.6537 0.8371 1.0843 -0.1296 -0.0389 -0.0105 124 LYS A CG 304 C CD . LYS A 78 ? 0.6668 0.8489 1.1239 -0.1141 -0.0214 -0.0275 124 LYS A CD 305 C CE . LYS A 78 ? 0.6672 0.8604 1.1783 -0.1039 -0.0311 -0.0273 124 LYS A CE 306 N NZ . LYS A 78 ? 0.6895 0.8612 1.2086 -0.1008 -0.0576 -0.0194 124 LYS A NZ 307 N N . ILE A 79 ? 0.5966 0.7909 0.9241 -0.1657 -0.0207 -0.0056 125 ILE A N 308 C CA . ILE A 79 ? 0.5785 0.7643 0.8879 -0.1712 -0.0218 -0.0098 125 ILE A CA 309 C C . ILE A 79 ? 0.5661 0.7418 0.8852 -0.1799 -0.0350 -0.0008 125 ILE A C 310 O O . ILE A 79 ? 0.5969 0.7543 0.9137 -0.1806 -0.0432 -0.0072 125 ILE A O 311 C CB . ILE A 79 ? 0.5702 0.7761 0.8671 -0.1774 -0.0137 -0.0083 125 ILE A CB 312 C CG1 . ILE A 79 ? 0.5719 0.7842 0.8593 -0.1704 0.0003 -0.0172 125 ILE A CG1 313 C CG2 . ILE A 79 ? 0.5685 0.7668 0.8558 -0.1826 -0.0191 -0.0126 125 ILE A CG2 314 C CD1 . ILE A 79 ? 0.5581 0.7875 0.8317 -0.1760 0.0068 -0.0157 125 ILE A CD1 315 N N . ALA A 80 ? 0.5324 0.7150 0.8606 -0.1871 -0.0380 0.0143 126 ALA A N 316 C CA . ALA A 80 ? 0.5147 0.6867 0.8512 -0.1982 -0.0449 0.0257 126 ALA A CA 317 C C . ALA A 80 ? 0.5211 0.6863 0.8557 -0.2008 -0.0494 0.0407 126 ALA A C 318 O O . ALA A 80 ? 0.5158 0.6886 0.8461 -0.1946 -0.0497 0.0417 126 ALA A O 319 C CB . ALA A 80 ? 0.4913 0.6774 0.8294 -0.2099 -0.0370 0.0295 126 ALA A CB 320 N N . PRO A 81 ? 0.5546 0.7016 0.8921 -0.2105 -0.0546 0.0526 127 PRO A N 321 C CA . PRO A 81 ? 0.5773 0.7077 0.9000 -0.2150 -0.0596 0.0692 127 PRO A CA 322 C C . PRO A 81 ? 0.5625 0.7040 0.8618 -0.2193 -0.0500 0.0768 127 PRO A C 323 O O . PRO A 81 ? 0.5342 0.6955 0.8313 -0.2242 -0.0353 0.0735 127 PRO A O 324 C CB . PRO A 81 ? 0.6042 0.7137 0.9301 -0.2292 -0.0585 0.0807 127 PRO A CB 325 C CG . PRO A 81 ? 0.6013 0.7107 0.9525 -0.2262 -0.0647 0.0677 127 PRO A CG 326 C CD . PRO A 81 ? 0.5708 0.7044 0.9243 -0.2172 -0.0594 0.0511 127 PRO A CD 327 N N . PRO A 82 ? 0.4973 0.7127 0.5188 -0.1519 -0.1758 0.1112 128 PRO A N 328 C CA . PRO A 82 ? 0.5028 0.7234 0.5112 -0.1597 -0.1729 0.1081 128 PRO A CA 329 C C . PRO A 82 ? 0.5220 0.7377 0.5089 -0.1687 -0.1670 0.1106 128 PRO A C 330 O O . PRO A 82 ? 0.5687 0.7886 0.5469 -0.1741 -0.1600 0.1042 128 PRO A O 331 C CB . PRO A 82 ? 0.5019 0.7242 0.5104 -0.1583 -0.1848 0.1125 128 PRO A CB 332 C CG . PRO A 82 ? 0.5086 0.7223 0.5232 -0.1521 -0.1938 0.1205 128 PRO A CG 333 C CD . PRO A 82 ? 0.4975 0.7109 0.5273 -0.1455 -0.1886 0.1165 128 PRO A CD 334 N N . ALA A 83 ? 0.5151 0.7223 0.4933 -0.1705 -0.1699 0.1194 129 ALA A N 335 C CA . ALA A 83 ? 0.4962 0.7012 0.4549 -0.1792 -0.1634 0.1215 129 ALA A CA 336 C C . ALA A 83 ? 0.4520 0.6597 0.4116 -0.1800 -0.1515 0.1132 129 ALA A C 337 O O . ALA A 83 ? 0.4485 0.6601 0.3956 -0.1858 -0.1446 0.1078 129 ALA A O 338 C CB . ALA A 83 ? 0.5132 0.7087 0.4650 -0.1810 -0.1683 0.1327 129 ALA A CB 339 N N . VAL A 84 ? 0.4269 0.6325 0.4017 -0.1737 -0.1492 0.1114 130 VAL A N 340 C CA . VAL A 84 ? 0.4144 0.6216 0.3912 -0.1739 -0.1382 0.1037 130 VAL A CA 341 C C . VAL A 84 ? 0.4212 0.6347 0.4015 -0.1741 -0.1333 0.0937 130 VAL A C 342 O O . VAL A 84 ? 0.4178 0.6322 0.3901 -0.1780 -0.1250 0.0871 130 VAL A O 343 C CB . VAL A 84 ? 0.3929 0.5963 0.3857 -0.1668 -0.1374 0.1043 130 VAL A CB 344 C CG1 . VAL A 84 ? 0.3047 0.5098 0.3013 -0.1664 -0.1263 0.0958 130 VAL A CG1 345 C CG2 . VAL A 84 ? 0.3767 0.5721 0.3643 -0.1679 -0.1418 0.1140 130 VAL A CG2 346 N N . CYS A 85 ? 0.4323 0.6499 0.4248 -0.1699 -0.1385 0.0920 131 CYS A N 347 C CA . CYS A 85 ? 0.4475 0.6706 0.4438 -0.1709 -0.1343 0.0832 131 CYS A CA 348 C C . CYS A 85 ? 0.4846 0.7083 0.4626 -0.1788 -0.1321 0.0800 131 CYS A C 349 O O . CYS A 85 ? 0.4777 0.7008 0.4511 -0.1816 -0.1245 0.0724 131 CYS A O 350 C CB . CYS A 85 ? 0.4376 0.6672 0.4487 -0.1662 -0.1414 0.0828 131 CYS A CB 351 S SG . CYS A 85 ? 0.4115 0.6452 0.4469 -0.1570 -0.1395 0.0796 131 CYS A SG 352 N N . GLN A 86 ? 0.5267 0.7507 0.4935 -0.1822 -0.1388 0.0857 132 GLN A N 353 C CA . GLN A 86 ? 0.5440 0.7694 0.4927 -0.1894 -0.1372 0.0824 132 GLN A CA 354 C C . GLN A 86 ? 0.5351 0.7582 0.4698 -0.1935 -0.1288 0.0798 132 GLN A C 355 O O . GLN A 86 ? 0.5318 0.7558 0.4574 -0.1972 -0.1236 0.0715 132 GLN A O 356 C CB . GLN A 86 ? 0.5916 0.8180 0.5313 -0.1920 -0.1462 0.0898 132 GLN A CB 357 C CG . GLN A 86 ? 0.6515 0.8780 0.5690 -0.1994 -0.1438 0.0903 132 GLN A CG 358 C CD . GLN A 86 ? 0.7182 0.9460 0.6269 -0.2024 -0.1527 0.0968 132 GLN A CD 359 O OE1 . GLN A 86 ? 0.7520 0.9790 0.6711 -0.1983 -0.1616 0.1026 132 GLN A OE1 360 N NE2 . GLN A 86 ? 0.7280 0.9580 0.6175 -0.2092 -0.1505 0.0953 132 GLN A NE2 361 N N . SER A 87 ? 0.5021 0.7223 0.4352 -0.1929 -0.1278 0.0862 133 SER A N 362 C CA . SER A 87 ? 0.4709 0.6913 0.3907 -0.1970 -0.1200 0.0837 133 SER A CA 363 C C . SER A 87 ? 0.4336 0.6531 0.3591 -0.1950 -0.1115 0.0737 133 SER A C 364 O O . SER A 87 ? 0.4318 0.6527 0.3458 -0.1984 -0.1055 0.0661 133 SER A O 365 C CB . SER A 87 ? 0.4742 0.6918 0.3923 -0.1972 -0.1210 0.0931 133 SER A CB 366 O OG . SER A 87 ? 0.5140 0.7295 0.4303 -0.1980 -0.1304 0.1034 133 SER A OG 367 N N . ILE A 88 ? 0.4089 0.6258 0.3522 -0.1892 -0.1108 0.0732 134 ILE A N 368 C CA . ILE A 88 ? 0.3920 0.6066 0.3408 -0.1873 -0.1026 0.0651 134 ILE A CA 369 C C . ILE A 88 ? 0.3933 0.6076 0.3402 -0.1892 -0.1005 0.0558 134 ILE A C 370 O O . ILE A 88 ? 0.3935 0.6049 0.3354 -0.1904 -0.0940 0.0478 134 ILE A O 371 C CB . ILE A 88 ? 0.3538 0.5657 0.3214 -0.1806 -0.1020 0.0674 134 ILE A CB 372 C CG1 . ILE A 88 ? 0.3363 0.5422 0.3070 -0.1772 -0.0915 0.0604 134 ILE A CG1 373 C CG2 . ILE A 88 ? 0.3364 0.5504 0.3176 -0.1769 -0.1066 0.0672 134 ILE A CG2 374 C CD1 . ILE A 88 ? 0.3163 0.5188 0.3025 -0.1703 -0.0895 0.0629 134 ILE A CD1 375 N N . VAL A 89 ? 0.3889 0.6054 0.3396 -0.1894 -0.1063 0.0564 135 VAL A N 376 C CA . VAL A 89 ? 0.4033 0.6188 0.3514 -0.1922 -0.1050 0.0479 135 VAL A CA 377 C C . VAL A 89 ? 0.4244 0.6397 0.3526 -0.1977 -0.1036 0.0429 135 VAL A C 378 O O . VAL A 89 ? 0.4354 0.6465 0.3580 -0.1995 -0.0991 0.0338 135 VAL A O 379 C CB . VAL A 89 ? 0.3971 0.6168 0.3548 -0.1915 -0.1118 0.0498 135 VAL A CB 380 C CG1 . VAL A 89 ? 0.4056 0.6242 0.3577 -0.1959 -0.1117 0.0419 135 VAL A CG1 381 C CG2 . VAL A 89 ? 0.3692 0.5904 0.3470 -0.1856 -0.1113 0.0514 135 VAL A CG2 382 N N . HIS A 90 ? 0.4291 0.6484 0.3460 -0.2003 -0.1075 0.0485 136 HIS A N 383 C CA . HIS A 90 ? 0.4456 0.6664 0.3430 -0.2050 -0.1053 0.0434 136 HIS A CA 384 C C . HIS A 90 ? 0.4383 0.6577 0.3290 -0.2048 -0.0971 0.0373 136 HIS A C 385 O O . HIS A 90 ? 0.4466 0.6647 0.3259 -0.2066 -0.0935 0.0274 136 HIS A O 386 C CB . HIS A 90 ? 0.4701 0.6959 0.3568 -0.2080 -0.1102 0.0519 136 HIS A CB 387 C CG . HIS A 90 ? 0.5095 0.7370 0.3991 -0.2088 -0.1187 0.0556 136 HIS A CG 388 N ND1 . HIS A 90 ? 0.5262 0.7560 0.4144 -0.2094 -0.1257 0.0661 136 HIS A ND1 389 C CD2 . HIS A 90 ? 0.5176 0.7447 0.4118 -0.2092 -0.1218 0.0502 136 HIS A CD2 390 C CE1 . HIS A 90 ? 0.5315 0.7630 0.4233 -0.2096 -0.1327 0.0665 136 HIS A CE1 391 N NE2 . HIS A 90 ? 0.5291 0.7597 0.4249 -0.2097 -0.1303 0.0570 136 HIS A NE2 392 N N . LEU A 91 ? 0.4239 0.6432 0.3217 -0.2020 -0.0944 0.0424 137 LEU A N 393 C CA . LEU A 91 ? 0.4316 0.6477 0.3257 -0.1990 -0.0848 0.0369 137 LEU A CA 394 C C . LEU A 91 ? 0.4432 0.6508 0.3443 -0.1953 -0.0798 0.0271 137 LEU A C 395 O O . LEU A 91 ? 0.4525 0.6568 0.3455 -0.1939 -0.0737 0.0181 137 LEU A O 396 C CB . LEU A 91 ? 0.4224 0.6379 0.3247 -0.1954 -0.0824 0.0455 137 LEU A CB 397 C CG . LEU A 91 ? 0.4184 0.6322 0.3181 -0.1920 -0.0726 0.0416 137 LEU A CG 398 C CD1 . LEU A 91 ? 0.4304 0.6528 0.3120 -0.1966 -0.0701 0.0406 137 LEU A CD1 399 C CD2 . LEU A 91 ? 0.3936 0.6043 0.3059 -0.1879 -0.0716 0.0497 137 LEU A CD2 400 N N . PHE A 92 ? 0.4334 0.6376 0.3493 -0.1938 -0.0828 0.0286 138 PHE A N 401 C CA . PHE A 92 ? 0.4341 0.6295 0.3569 -0.1912 -0.0785 0.0211 138 PHE A CA 402 C C . PHE A 92 ? 0.4296 0.6218 0.3459 -0.1959 -0.0815 0.0128 138 PHE A C 403 O O . PHE A 92 ? 0.4268 0.6095 0.3424 -0.1945 -0.0775 0.0048 138 PHE A O 404 C CB . PHE A 92 ? 0.4435 0.6379 0.3850 -0.1881 -0.0795 0.0263 138 PHE A CB 405 C CG . PHE A 92 ? 0.4634 0.6548 0.4125 -0.1819 -0.0737 0.0298 138 PHE A CG 406 C CD1 . PHE A 92 ? 0.4786 0.6745 0.4283 -0.1804 -0.0751 0.0380 138 PHE A CD1 407 C CD2 . PHE A 92 ? 0.4747 0.6580 0.4301 -0.1780 -0.0676 0.0254 138 PHE A CD2 408 C CE1 . PHE A 92 ? 0.4807 0.6734 0.4374 -0.1751 -0.0703 0.0411 138 PHE A CE1 409 C CE2 . PHE A 92 ? 0.4770 0.6577 0.4392 -0.1723 -0.0627 0.0284 138 PHE A CE2 410 C CZ . PHE A 92 ? 0.4799 0.6656 0.4431 -0.1709 -0.0640 0.0360 138 PHE A CZ 411 N N . GLU A 93 ? 0.4412 0.6397 0.3524 -0.2010 -0.0887 0.0144 139 GLU A N 412 C CA . GLU A 93 ? 0.4754 0.6689 0.3861 -0.2039 -0.0917 0.0085 139 GLU A CA 413 C C . GLU A 93 ? 0.4867 0.6721 0.3838 -0.2057 -0.0891 -0.0035 139 GLU A C 414 O O . GLU A 93 ? 0.4831 0.6591 0.3830 -0.2069 -0.0894 -0.0094 139 GLU A O 415 C CB . GLU A 93 ? 0.5138 0.7137 0.4215 -0.2065 -0.0985 0.0127 139 GLU A CB 416 C CG . GLU A 93 ? 0.5532 0.7588 0.4440 -0.2087 -0.0996 0.0133 139 GLU A CG 417 C CD . GLU A 93 ? 0.5898 0.8012 0.4788 -0.2111 -0.1070 0.0187 139 GLU A CD 418 O OE1 . GLU A 93 ? 0.5886 0.8028 0.4917 -0.2095 -0.1114 0.0254 139 GLU A OE1 419 O OE2 . GLU A 93 ? 0.6176 0.8313 0.4913 -0.2143 -0.1085 0.0156 139 GLU A OE2 420 N N . ASP A 94 ? 0.4980 0.6868 0.3801 -0.2057 -0.0866 -0.0075 140 ASP A N 421 C CA . ASP A 94 ? 0.5072 0.6881 0.3763 -0.2052 -0.0840 -0.0201 140 ASP A CA 422 C C . ASP A 94 ? 0.4837 0.6510 0.3595 -0.2000 -0.0785 -0.0256 140 ASP A C 423 O O . ASP A 94 ? 0.4915 0.6472 0.3653 -0.2016 -0.0805 -0.0336 140 ASP A O 424 C CB . ASP A 94 ? 0.5394 0.7281 0.3933 -0.2039 -0.0802 -0.0230 140 ASP A CB 425 C CG . ASP A 94 ? 0.5928 0.7873 0.4331 -0.2084 -0.0849 -0.0253 140 ASP A CG 426 O OD1 . ASP A 94 ? 0.6081 0.7996 0.4527 -0.2112 -0.0908 -0.0236 140 ASP A OD1 427 O OD2 . ASP A 94 ? 0.6249 0.8270 0.4513 -0.2080 -0.0817 -0.0285 140 ASP A OD2 428 N N . ASP A 95 ? 0.4606 0.6282 0.3440 -0.1940 -0.0722 -0.0213 141 ASP A N 429 C CA . ASP A 95 ? 0.4746 0.6294 0.3635 -0.1886 -0.0671 -0.0261 141 ASP A CA 430 C C . ASP A 95 ? 0.4889 0.6358 0.3905 -0.1909 -0.0699 -0.0231 141 ASP A C 431 O O . ASP A 95 ? 0.4854 0.6186 0.3874 -0.1898 -0.0688 -0.0291 141 ASP A O 432 C CB . ASP A 95 ? 0.4843 0.6427 0.3787 -0.1822 -0.0602 -0.0216 141 ASP A CB 433 C CG . ASP A 95 ? 0.5003 0.6673 0.3828 -0.1800 -0.0561 -0.0252 141 ASP A CG 434 O OD1 . ASP A 95 ? 0.5161 0.6801 0.3867 -0.1792 -0.0555 -0.0362 141 ASP A OD1 435 O OD2 . ASP A 95 ? 0.4974 0.6741 0.3825 -0.1792 -0.0537 -0.0174 141 ASP A OD2 436 N N . MET A 96 ? 0.5032 0.6589 0.4154 -0.1941 -0.0734 -0.0138 142 MET A N 437 C CA . MET A 96 ? 0.5207 0.6723 0.4461 -0.1963 -0.0750 -0.0108 142 MET A CA 438 C C . MET A 96 ? 0.4915 0.6375 0.4129 -0.2037 -0.0809 -0.0162 142 MET A C 439 O O . MET A 96 ? 0.4753 0.6102 0.4003 -0.2055 -0.0806 -0.0190 142 MET A O 440 C CB . MET A 96 ? 0.5581 0.7223 0.4972 -0.1962 -0.0769 -0.0003 142 MET A CB 441 C CG . MET A 96 ? 0.5962 0.7582 0.5506 -0.1949 -0.0746 0.0032 142 MET A CG 442 S SD . MET A 96 ? 0.6065 0.7768 0.5734 -0.1878 -0.0713 0.0123 142 MET A SD 443 C CE . MET A 96 ? 0.6119 0.7957 0.5760 -0.1897 -0.0780 0.0183 142 MET A CE 444 N N . VAL A 97 ? 0.4813 0.6334 0.3948 -0.2075 -0.0859 -0.0175 143 VAL A N 445 C CA . VAL A 97 ? 0.4884 0.6328 0.3984 -0.2121 -0.0905 -0.0225 143 VAL A CA 446 C C . VAL A 97 ? 0.5100 0.6378 0.4090 -0.2127 -0.0899 -0.0336 143 VAL A C 447 O O . VAL A 97 ? 0.5235 0.6391 0.4245 -0.2159 -0.0920 -0.0366 143 VAL A O 448 C CB . VAL A 97 ? 0.4873 0.6404 0.3898 -0.2145 -0.0955 -0.0220 143 VAL A CB 449 C CG1 . VAL A 97 ? 0.4905 0.6340 0.3860 -0.2192 -0.1001 -0.0297 143 VAL A CG1 450 C CG2 . VAL A 97 ? 0.4797 0.6458 0.3952 -0.2142 -0.0980 -0.0114 143 VAL A CG2 451 N N . GLU A 98 ? 0.5118 0.6380 0.3997 -0.2083 -0.0863 -0.0397 144 GLU A N 452 C CA . GLU A 98 ? 0.5266 0.6357 0.4049 -0.2053 -0.0851 -0.0510 144 GLU A CA 453 C C . GLU A 98 ? 0.5053 0.6002 0.3927 -0.2031 -0.0825 -0.0498 144 GLU A C 454 O O . GLU A 98 ? 0.5103 0.5883 0.3939 -0.2058 -0.0858 -0.0560 144 GLU A O 455 C CB . GLU A 98 ? 0.5516 0.6639 0.4195 -0.1975 -0.0797 -0.0569 144 GLU A CB 456 C CG . GLU A 98 ? 0.5938 0.6894 0.4583 -0.1908 -0.0764 -0.0661 144 GLU A CG 457 C CD . GLU A 98 ? 0.6537 0.7506 0.5040 -0.1854 -0.0743 -0.0775 144 GLU A CD 458 O OE1 . GLU A 98 ? 0.6789 0.7925 0.5261 -0.1832 -0.0701 -0.0749 144 GLU A OE1 459 O OE2 . GLU A 98 ? 0.6820 0.7637 0.5237 -0.1835 -0.0770 -0.0893 144 GLU A OE2 460 N N . VAL A 99 ? 0.4697 0.5705 0.3683 -0.1986 -0.0770 -0.0416 145 VAL A N 461 C CA . VAL A 99 ? 0.4708 0.5593 0.3773 -0.1964 -0.0742 -0.0399 145 VAL A CA 462 C C . VAL A 99 ? 0.4959 0.5801 0.4093 -0.2055 -0.0791 -0.0365 145 VAL A C 463 O O . VAL A 99 ? 0.5144 0.5816 0.4262 -0.2076 -0.0806 -0.0398 145 VAL A O 464 C CB . VAL A 99 ? 0.4391 0.5366 0.3561 -0.1900 -0.0677 -0.0320 145 VAL A CB 465 C CG1 . VAL A 99 ? 0.4158 0.5021 0.3407 -0.1883 -0.0651 -0.0296 145 VAL A CG1 466 C CG2 . VAL A 99 ? 0.4403 0.5410 0.3500 -0.1821 -0.0629 -0.0361 145 VAL A CG2 467 N N . TRP A 100 ? 0.4894 0.5892 0.4108 -0.2112 -0.0821 -0.0297 146 TRP A N 468 C CA . TRP A 100 ? 0.4907 0.5883 0.4204 -0.2164 -0.0846 -0.0258 146 TRP A CA 469 C C . TRP A 100 ? 0.4985 0.5811 0.4177 -0.2215 -0.0901 -0.0335 146 TRP A C 470 O O . TRP A 100 ? 0.4955 0.5658 0.4170 -0.2255 -0.0915 -0.0332 146 TRP A O 471 C CB . TRP A 100 ? 0.4970 0.6135 0.4371 -0.2166 -0.0856 -0.0179 146 TRP A CB 472 C CG . TRP A 100 ? 0.4981 0.6260 0.4520 -0.2120 -0.0811 -0.0096 146 TRP A CG 473 C CD1 . TRP A 100 ? 0.4856 0.6196 0.4409 -0.2065 -0.0774 -0.0072 146 TRP A CD1 474 C CD2 . TRP A 100 ? 0.5018 0.6370 0.4702 -0.2122 -0.0797 -0.0031 146 TRP A CD2 475 N NE1 . TRP A 100 ? 0.4713 0.6142 0.4409 -0.2029 -0.0743 0.0002 146 TRP A NE1 476 C CE2 . TRP A 100 ? 0.4876 0.6320 0.4652 -0.2060 -0.0755 0.0023 146 TRP A CE2 477 C CE3 . TRP A 100 ? 0.5108 0.6462 0.4849 -0.2172 -0.0816 -0.0019 146 TRP A CE3 478 C CZ2 . TRP A 100 ? 0.4803 0.6340 0.4723 -0.2037 -0.0731 0.0080 146 TRP A CZ2 479 C CZ3 . TRP A 100 ? 0.5019 0.6483 0.4905 -0.2155 -0.0788 0.0042 146 TRP A CZ3 480 C CH2 . TRP A 100 ? 0.4828 0.6382 0.4801 -0.2084 -0.0746 0.0086 146 TRP A CH2 481 N N . ARG A 101 ? 0.5038 0.5873 0.4110 -0.2213 -0.0933 -0.0403 147 ARG A N 482 C CA . ARG A 101 ? 0.5325 0.6012 0.4284 -0.2249 -0.0989 -0.0493 147 ARG A CA 483 C C . ARG A 101 ? 0.5450 0.5904 0.4344 -0.2242 -0.0993 -0.0562 147 ARG A C 484 O O . ARG A 101 ? 0.5437 0.5730 0.4299 -0.2285 -0.1040 -0.0597 147 ARG A O 485 C CB . ARG A 101 ? 0.5513 0.6263 0.4340 -0.2227 -0.1006 -0.0563 147 ARG A CB 486 C CG . ARG A 101 ? 0.5941 0.6580 0.4650 -0.2256 -0.1068 -0.0658 147 ARG A CG 487 C CD . ARG A 101 ? 0.6133 0.6885 0.4724 -0.2233 -0.1077 -0.0709 147 ARG A CD 488 N NE . ARG A 101 ? 0.6279 0.7054 0.4778 -0.2168 -0.1028 -0.0767 147 ARG A NE 489 C CZ . ARG A 101 ? 0.6695 0.7319 0.5089 -0.2126 -0.1024 -0.0885 147 ARG A CZ 490 N NH1 . ARG A 101 ? 0.6950 0.7363 0.5313 -0.2146 -0.1074 -0.0953 147 ARG A NH1 491 N NH2 . ARG A 101 ? 0.6758 0.7437 0.5089 -0.2052 -0.0967 -0.0932 147 ARG A NH2 492 N N . ARG A 102 ? 0.5567 0.5995 0.4443 -0.2188 -0.0949 -0.0580 148 ARG A N 493 C CA . ARG A 102 ? 0.5754 0.5954 0.4564 -0.2141 -0.0947 -0.0650 148 ARG A CA 494 C C . ARG A 102 ? 0.5512 0.5628 0.4419 -0.2153 -0.0924 -0.0576 148 ARG A C 495 O O . ARG A 102 ? 0.5588 0.5499 0.4446 -0.2116 -0.0929 -0.0621 148 ARG A O 496 C CB . ARG A 102 ? 0.5814 0.6031 0.4559 -0.2018 -0.0892 -0.0716 148 ARG A CB 497 C CG . ARG A 102 ? 0.6013 0.6299 0.4636 -0.2008 -0.0914 -0.0805 148 ARG A CG 498 C CD . ARG A 102 ? 0.6020 0.6380 0.4592 -0.1897 -0.0849 -0.0858 148 ARG A CD 499 N NE . ARG A 102 ? 0.6102 0.6287 0.4654 -0.1812 -0.0831 -0.0926 148 ARG A NE 500 C CZ . ARG A 102 ? 0.6052 0.6261 0.4546 -0.1710 -0.0787 -0.1010 148 ARG A CZ 501 N NH1 . ARG A 102 ? 0.5965 0.6368 0.4405 -0.1690 -0.0753 -0.1032 148 ARG A NH1 502 N NH2 . ARG A 102 ? 0.6156 0.6201 0.4645 -0.1629 -0.0780 -0.1071 148 ARG A NH2 503 N N . SER A 103 ? 0.5254 0.5521 0.4293 -0.2201 -0.0902 -0.0468 149 SER A N 504 C CA . SER A 103 ? 0.5156 0.5369 0.4282 -0.2210 -0.0871 -0.0397 149 SER A CA 505 C C . SER A 103 ? 0.5196 0.5475 0.4427 -0.2271 -0.0876 -0.0312 149 SER A C 506 O O . SER A 103 ? 0.5481 0.5612 0.4683 -0.2326 -0.0915 -0.0319 149 SER A O 507 C CB . SER A 103 ? 0.4827 0.5173 0.4040 -0.2119 -0.0791 -0.0340 149 SER A CB 508 O OG . SER A 103 ? 0.4650 0.5229 0.3958 -0.2138 -0.0779 -0.0276 149 SER A OG 509 N N . VAL A 104 ? 0.4961 0.5465 0.4315 -0.2259 -0.0839 -0.0236 150 VAL A N 510 C CA . VAL A 104 ? 0.4863 0.5462 0.4327 -0.2305 -0.0835 -0.0162 150 VAL A CA 511 C C . VAL A 104 ? 0.4898 0.5474 0.4326 -0.2371 -0.0896 -0.0189 150 VAL A C 512 O O . VAL A 104 ? 0.4950 0.5513 0.4425 -0.2430 -0.0908 -0.0153 150 VAL A O 513 C CB . VAL A 104 ? 0.4877 0.5717 0.4473 -0.2259 -0.0791 -0.0093 150 VAL A CB 514 C CG1 . VAL A 104 ? 0.4904 0.5859 0.4619 -0.2293 -0.0781 -0.0028 150 VAL A CG1 515 C CG2 . VAL A 104 ? 0.4821 0.5671 0.4445 -0.2193 -0.0735 -0.0072 150 VAL A CG2 516 N N . LEU A 105 ? 0.4915 0.5491 0.4256 -0.2364 -0.0936 -0.0254 151 LEU A N 517 C CA . LEU A 105 ? 0.4907 0.5475 0.4215 -0.2423 -0.0996 -0.0282 151 LEU A CA 518 C C . LEU A 105 ? 0.5199 0.5526 0.4363 -0.2450 -0.1052 -0.0377 151 LEU A C 519 O O . LEU A 105 ? 0.5341 0.5640 0.4467 -0.2499 -0.1108 -0.0411 151 LEU A O 520 C CB . LEU A 105 ? 0.4872 0.5616 0.4179 -0.2400 -0.1011 -0.0287 151 LEU A CB 521 C CG . LEU A 105 ? 0.4762 0.5736 0.4207 -0.2365 -0.0971 -0.0201 151 LEU A CG 522 C CD1 . LEU A 105 ? 0.4838 0.5935 0.4242 -0.2333 -0.0990 -0.0212 151 LEU A CD1 523 C CD2 . LEU A 105 ? 0.4707 0.5781 0.4274 -0.2413 -0.0982 -0.0144 151 LEU A CD2 524 N N . SER A 106 ? 0.5404 0.5554 0.4488 -0.2414 -0.1044 -0.0426 152 SER A N 525 C CA . SER A 106 ? 0.5735 0.5637 0.4684 -0.2427 -0.1105 -0.0525 152 SER A CA 526 C C . SER A 106 ? 0.5886 0.5655 0.4860 -0.2507 -0.1144 -0.0489 152 SER A C 527 O O . SER A 106 ? 0.5833 0.5638 0.4901 -0.2534 -0.1107 -0.0399 152 SER A O 528 C CB . SER A 106 ? 0.5864 0.5604 0.4727 -0.2360 -0.1092 -0.0589 152 SER A CB 529 O OG . SER A 106 ? 0.5988 0.5691 0.4923 -0.2358 -0.1051 -0.0514 152 SER A OG 530 N N . PRO A 107 ? 0.6234 0.5853 0.5122 -0.2546 -0.1216 -0.0559 153 PRO A N 531 C CA . PRO A 107 ? 0.6504 0.6033 0.5425 -0.2637 -0.1254 -0.0513 153 PRO A CA 532 C C . PRO A 107 ? 0.6607 0.5963 0.5532 -0.2654 -0.1243 -0.0464 153 PRO A C 533 O O . PRO A 107 ? 0.6542 0.5951 0.5548 -0.2723 -0.1228 -0.0372 153 PRO A O 534 C CB . PRO A 107 ? 0.6751 0.6117 0.5558 -0.2659 -0.1339 -0.0618 153 PRO A CB 535 C CG . PRO A 107 ? 0.6774 0.6090 0.5469 -0.2566 -0.1343 -0.0730 153 PRO A CG 536 C CD . PRO A 107 ? 0.6461 0.6021 0.5226 -0.2515 -0.1265 -0.0679 153 PRO A CD 537 N N . SER A 108 ? 0.6735 0.5893 0.5570 -0.2591 -0.1251 -0.0524 154 SER A N 538 C CA . SER A 108 ? 0.6934 0.5915 0.5763 -0.2602 -0.1247 -0.0474 154 SER A CA 539 C C . SER A 108 ? 0.6280 0.5452 0.5230 -0.2604 -0.1163 -0.0358 154 SER A C 540 O O . SER A 108 ? 0.6215 0.5328 0.5192 -0.2654 -0.1153 -0.0279 154 SER A O 541 C CB . SER A 108 ? 0.7368 0.6113 0.6079 -0.2515 -0.1274 -0.0572 154 SER A CB 542 O OG . SER A 108 ? 0.7761 0.6413 0.6485 -0.2492 -0.1245 -0.0515 154 SER A OG 543 N N . GLU A 109 ? 0.5821 0.5227 0.4840 -0.2551 -0.1103 -0.0346 155 GLU A N 544 C CA . GLU A 109 ? 0.5526 0.5113 0.4662 -0.2537 -0.1024 -0.0249 155 GLU A CA 545 C C . GLU A 109 ? 0.5422 0.5226 0.4678 -0.2599 -0.1001 -0.0167 155 GLU A C 546 O O . GLU A 109 ? 0.5414 0.5258 0.4732 -0.2634 -0.0967 -0.0088 155 GLU A O 547 C CB . GLU A 109 ? 0.5283 0.5023 0.4446 -0.2451 -0.0974 -0.0270 155 GLU A CB 548 C CG . GLU A 109 ? 0.5283 0.4853 0.4345 -0.2381 -0.0982 -0.0347 155 GLU A CG 549 C CD . GLU A 109 ? 0.5238 0.4713 0.4315 -0.2360 -0.0949 -0.0299 155 GLU A CD 550 O OE1 . GLU A 109 ? 0.5062 0.4697 0.4249 -0.2368 -0.0890 -0.0206 155 GLU A OE1 551 O OE2 . GLU A 109 ? 0.5364 0.4605 0.4340 -0.2328 -0.0984 -0.0359 155 GLU A OE2 552 N N . ALA A 110 ? 0.5293 0.5251 0.4580 -0.2609 -0.1018 -0.0188 156 ALA A N 553 C CA . ALA A 110 ? 0.5176 0.5366 0.4589 -0.2651 -0.0996 -0.0119 156 ALA A CA 554 C C . ALA A 110 ? 0.5505 0.5617 0.4922 -0.2749 -0.1024 -0.0080 156 ALA A C 555 O O . ALA A 110 ? 0.5500 0.5761 0.5016 -0.2782 -0.0984 -0.0005 156 ALA A O 556 C CB . ALA A 110 ? 0.5049 0.5378 0.4474 -0.2646 -0.1027 -0.0156 156 ALA A CB 557 N N . CYS A 111 ? 0.5696 0.5578 0.5001 -0.2797 -0.1095 -0.0134 157 CYS A N 558 C CA . CYS A 111 ? 0.5936 0.5726 0.5229 -0.2900 -0.1135 -0.0102 157 CYS A CA 559 C C . CYS A 111 ? 0.6072 0.5727 0.5341 -0.2921 -0.1113 -0.0043 157 CYS A C 560 O O . CYS A 111 ? 0.6137 0.5804 0.5433 -0.3007 -0.1115 0.0021 157 CYS A O 561 C CB . CYS A 111 ? 0.6116 0.5683 0.5290 -0.2933 -0.1226 -0.0187 157 CYS A CB 562 S SG . CYS A 111 ? 0.6081 0.5812 0.5273 -0.2930 -0.1263 -0.0251 157 CYS A SG 563 N N . GLY A 112 ? 0.6047 0.5577 0.5262 -0.2845 -0.1093 -0.0064 158 GLY A N 564 C CA . GLY A 112 ? 0.6034 0.5473 0.5238 -0.2853 -0.1063 0.0000 158 GLY A CA 565 C C . GLY A 112 ? 0.5779 0.5487 0.5111 -0.2853 -0.0980 0.0086 158 GLY A C 566 O O . GLY A 112 ? 0.5790 0.5496 0.5132 -0.2913 -0.0964 0.0157 158 GLY A O 567 N N . LEU A 113 ? 0.5604 0.5543 0.5030 -0.2782 -0.0929 0.0079 159 LEU A N 568 C CA . LEU A 113 ? 0.5356 0.5560 0.4913 -0.2772 -0.0857 0.0147 159 LEU A CA 569 C C . LEU A 113 ? 0.5537 0.5887 0.5162 -0.2862 -0.0865 0.0186 159 LEU A C 570 O O . LEU A 113 ? 0.5682 0.6135 0.5361 -0.2900 -0.0825 0.0249 159 LEU A O 571 C CB . LEU A 113 ? 0.4927 0.5331 0.4567 -0.2678 -0.0816 0.0126 159 LEU A CB 572 C CG . LEU A 113 ? 0.4591 0.5272 0.4375 -0.2652 -0.0750 0.0181 159 LEU A CG 573 C CD1 . LEU A 113 ? 0.4373 0.5033 0.4162 -0.2610 -0.0693 0.0219 159 LEU A CD1 574 C CD2 . LEU A 113 ? 0.4372 0.5243 0.4237 -0.2580 -0.0740 0.0157 159 LEU A CD2 575 N N . LEU A 114 ? 0.5554 0.5921 0.5176 -0.2900 -0.0918 0.0147 160 LEU A N 576 C CA . LEU A 114 ? 0.5432 0.5978 0.5140 -0.2977 -0.0925 0.0179 160 LEU A CA 577 C C . LEU A 114 ? 0.5701 0.6104 0.5347 -0.3094 -0.0962 0.0214 160 LEU A C 578 O O . LEU A 114 ? 0.5618 0.6181 0.5340 -0.3161 -0.0940 0.0267 160 LEU A O 579 C CB . LEU A 114 ? 0.5440 0.6057 0.5166 -0.2977 -0.0974 0.0126 160 LEU A CB 580 C CG . LEU A 114 ? 0.5361 0.6165 0.5161 -0.2877 -0.0944 0.0105 160 LEU A CG 581 C CD1 . LEU A 114 ? 0.5455 0.6294 0.5243 -0.2888 -0.1005 0.0053 160 LEU A CD1 582 C CD2 . LEU A 114 ? 0.5275 0.6351 0.5227 -0.2854 -0.0882 0.0160 160 LEU A CD2 583 N N . LEU A 115 ? 0.6163 0.6268 0.5673 -0.3122 -0.1023 0.0182 161 LEU A N 584 C CA . LEU A 115 ? 0.6819 0.6756 0.6257 -0.3236 -0.1075 0.0211 161 LEU A CA 585 C C . LEU A 115 ? 0.7660 0.7358 0.6995 -0.3244 -0.1079 0.0245 161 LEU A C 586 O O . LEU A 115 ? 0.8043 0.7581 0.7306 -0.3340 -0.1125 0.0281 161 LEU A O 587 C CB . LEU A 115 ? 0.6732 0.6504 0.6095 -0.3277 -0.1166 0.0143 161 LEU A CB 588 C CG . LEU A 115 ? 0.6564 0.6563 0.6019 -0.3289 -0.1175 0.0115 161 LEU A CG 589 C CD1 . LEU A 115 ? 0.6030 0.5852 0.5397 -0.3317 -0.1266 0.0036 161 LEU A CD1 590 C CD2 . LEU A 115 ? 0.6549 0.6776 0.6114 -0.3379 -0.1150 0.0185 161 LEU A CD2 591 N N . GLY A 116 ? 0.8047 0.7712 0.7369 -0.3147 -0.1037 0.0238 162 GLY A N 592 C CA . GLY A 116 ? 0.8628 0.8096 0.7865 -0.3148 -0.1035 0.0278 162 GLY A CA 593 C C . GLY A 116 ? 0.9155 0.8281 0.8254 -0.3114 -0.1108 0.0215 162 GLY A C 594 O O . GLY A 116 ? 0.9297 0.8329 0.8358 -0.3093 -0.1162 0.0133 162 GLY A O 595 N N . SER A 117 ? 0.9487 0.8426 0.8508 -0.3107 -0.1113 0.0253 163 SER A N 596 C CA . SER A 117 ? 0.9624 0.8224 0.8515 -0.3060 -0.1183 0.0196 163 SER A CA 597 C C . SER A 117 ? 0.9663 0.8033 0.8464 -0.3121 -0.1284 0.0149 163 SER A C 598 O O . SER A 117 ? 0.9848 0.7963 0.8556 -0.3063 -0.1349 0.0066 163 SER A O 599 C CB . SER A 117 ? 0.9601 0.8050 0.8426 -0.3062 -0.1178 0.0264 163 SER A CB 600 O OG . SER A 117 ? 0.9609 0.8106 0.8432 -0.3179 -0.1176 0.0360 163 SER A OG 601 N N . THR A 118 ? 0.9520 0.7977 0.8350 -0.3235 -0.1300 0.0195 164 THR A N 602 C CA . THR A 118 ? 0.9637 0.7875 0.8384 -0.3300 -0.1399 0.0153 164 THR A CA 603 C C . THR A 118 ? 0.9538 0.7779 0.8288 -0.3239 -0.1431 0.0034 164 THR A C 604 O O . THR A 118 ? 0.9849 0.7824 0.8498 -0.3224 -0.1516 -0.0046 164 THR A O 605 C CB . THR A 118 ? 0.9775 0.8138 0.8562 -0.3442 -0.1404 0.0231 164 THR A CB 606 O OG1 . THR A 118 ? 1.0113 0.8314 0.8843 -0.3502 -0.1495 0.0179 164 THR A OG1 607 C CG2 . THR A 118 ? 0.9512 0.8270 0.8453 -0.3447 -0.1317 0.0259 164 THR A CG2 608 N N . CYS A 119 ? 0.9028 0.7564 0.7888 -0.3199 -0.1366 0.0017 165 CYS A N 609 C CA . CYS A 119 ? 0.8667 0.7243 0.7529 -0.3152 -0.1394 -0.0086 165 CYS A CA 610 C C . CYS A 119 ? 0.8673 0.7181 0.7493 -0.3021 -0.1381 -0.0170 165 CYS A C 611 O O . CYS A 119 ? 0.8900 0.7193 0.7622 -0.2976 -0.1447 -0.0273 165 CYS A O 612 C CB . CYS A 119 ? 0.8085 0.7010 0.7080 -0.3178 -0.1342 -0.0059 165 CYS A CB 613 S SG . CYS A 119 ? 0.7962 0.6942 0.6948 -0.3154 -0.1391 -0.0169 165 CYS A SG 614 N N . GLY A 120 ? 0.8604 0.7294 0.7497 -0.2958 -0.1298 -0.0134 166 GLY A N 615 C CA . GLY A 120 ? 0.8818 0.7460 0.7675 -0.2842 -0.1282 -0.0207 166 GLY A CA 616 C C . GLY A 120 ? 0.8806 0.7416 0.7670 -0.2799 -0.1231 -0.0148 166 GLY A C 617 O O . GLY A 120 ? 0.9184 0.7655 0.8013 -0.2848 -0.1245 -0.0081 166 GLY A O 618 N N . HIS A 121 ? 0.8253 0.7000 0.7159 -0.2710 -0.1173 -0.0171 167 HIS A N 619 C CA . HIS A 121 ? 0.8069 0.6794 0.6984 -0.2657 -0.1124 -0.0128 167 HIS A CA 620 C C . HIS A 121 ? 0.7539 0.6534 0.6550 -0.2589 -0.1045 -0.0128 167 HIS A C 621 O O . HIS A 121 ? 0.7572 0.6573 0.6553 -0.2519 -0.1051 -0.0213 167 HIS A O 622 C CB . HIS A 121 ? 0.8661 0.7071 0.7452 -0.2594 -0.1183 -0.0200 167 HIS A CB 623 C CG . HIS A 121 ? 0.9271 0.7635 0.8062 -0.2541 -0.1144 -0.0158 167 HIS A CG 624 N ND1 . HIS A 121 ? 0.9305 0.7861 0.8187 -0.2567 -0.1068 -0.0052 167 HIS A ND1 625 C CD2 . HIS A 121 ? 0.9667 0.7821 0.8379 -0.2457 -0.1173 -0.0214 167 HIS A CD2 626 C CE1 . HIS A 121 ? 0.9409 0.7872 0.8266 -0.2509 -0.1052 -0.0039 167 HIS A CE1 627 N NE2 . HIS A 121 ? 0.9495 0.7712 0.8250 -0.2442 -0.1115 -0.0134 167 HIS A NE2 628 N N . TRP A 122 ? 0.6751 0.5973 0.5873 -0.2608 -0.0974 -0.0036 168 TRP A N 629 C CA . TRP A 122 ? 0.6039 0.5514 0.5262 -0.2542 -0.0900 -0.0024 168 TRP A CA 630 C C . TRP A 122 ? 0.5796 0.5204 0.5007 -0.2480 -0.0863 -0.0007 168 TRP A C 631 O O . TRP A 122 ? 0.5724 0.5095 0.4941 -0.2508 -0.0842 0.0064 168 TRP A O 632 C CB . TRP A 122 ? 0.5714 0.5466 0.5067 -0.2580 -0.0848 0.0052 168 TRP A CB 633 C CG . TRP A 122 ? 0.5459 0.5460 0.4924 -0.2506 -0.0776 0.0074 168 TRP A CG 634 C CD1 . TRP A 122 ? 0.5330 0.5399 0.4845 -0.2462 -0.0714 0.0121 168 TRP A CD1 635 C CD2 . TRP A 122 ? 0.5199 0.5407 0.4737 -0.2466 -0.0762 0.0050 168 TRP A CD2 636 N NE1 . TRP A 122 ? 0.4968 0.5265 0.4585 -0.2394 -0.0666 0.0124 168 TRP A NE1 637 C CE2 . TRP A 122 ? 0.4912 0.5296 0.4544 -0.2396 -0.0695 0.0085 168 TRP A CE2 638 C CE3 . TRP A 122 ? 0.5115 0.5370 0.4640 -0.2482 -0.0805 0.0004 168 TRP A CE3 639 C CZ2 . TRP A 122 ? 0.4635 0.5225 0.4348 -0.2342 -0.0675 0.0079 168 TRP A CZ2 640 C CZ3 . TRP A 122 ? 0.4857 0.5327 0.4460 -0.2431 -0.0782 0.0002 168 TRP A CZ3 641 C CH2 . TRP A 122 ? 0.4663 0.5293 0.4359 -0.2362 -0.0720 0.0041 168 TRP A CH2 642 N N . ASP A 123 ? 0.5653 0.5048 0.4840 -0.2400 -0.0856 -0.0072 169 ASP A N 643 C CA . ASP A 123 ? 0.5637 0.4951 0.4804 -0.2339 -0.0830 -0.0069 169 ASP A CA 644 C C . ASP A 123 ? 0.5275 0.4796 0.4515 -0.2266 -0.0772 -0.0085 169 ASP A C 645 O O . ASP A 123 ? 0.5120 0.4575 0.4331 -0.2166 -0.0753 -0.0122 169 ASP A O 646 C CB . ASP A 123 ? 0.6039 0.5037 0.5067 -0.2311 -0.0902 -0.0148 169 ASP A CB 647 C CG . ASP A 123 ? 0.6365 0.5322 0.5325 -0.2276 -0.0946 -0.0265 169 ASP A CG 648 O OD1 . ASP A 123 ? 0.6266 0.5448 0.5285 -0.2237 -0.0903 -0.0284 169 ASP A OD1 649 O OD2 . ASP A 123 ? 0.6769 0.5473 0.5617 -0.2271 -0.1022 -0.0337 169 ASP A OD2 650 N N . ILE A 124 ? 0.5148 0.4926 0.4491 -0.2270 -0.0735 -0.0056 170 ILE A N 651 C CA . ILE A 124 ? 0.4943 0.4917 0.4355 -0.2202 -0.0688 -0.0066 170 ILE A CA 652 C C . ILE A 124 ? 0.4856 0.4899 0.4339 -0.2157 -0.0625 -0.0006 170 ILE A C 653 O O . ILE A 124 ? 0.4804 0.4930 0.4356 -0.2182 -0.0593 0.0066 170 ILE A O 654 C CB . ILE A 124 ? 0.4646 0.4851 0.4144 -0.2213 -0.0677 -0.0045 170 ILE A CB 655 C CG1 . ILE A 124 ? 0.4974 0.5091 0.4388 -0.2259 -0.0744 -0.0106 170 ILE A CG1 656 C CG2 . ILE A 124 ? 0.4144 0.4536 0.3706 -0.2143 -0.0637 -0.0047 170 ILE A CG2 657 C CD1 . ILE A 124 ? 0.5121 0.5436 0.4586 -0.2258 -0.0748 -0.0110 170 ILE A CD1 658 N N . PHE A 125 ? 0.4849 0.4864 0.4315 -0.2033 -0.0590 -0.0037 171 PHE A N 659 C CA . PHE A 125 ? 0.4850 0.4909 0.4373 -0.1969 -0.0533 0.0009 171 PHE A CA 660 C C . PHE A 125 ? 0.4981 0.4874 0.4460 -0.2020 -0.0547 0.0050 171 PHE A C 661 O O . PHE A 125 ? 0.4959 0.4930 0.4497 -0.2021 -0.0503 0.0111 171 PHE A O 662 C CB . PHE A 125 ? 0.4526 0.4848 0.4185 -0.1972 -0.0483 0.0068 171 PHE A CB 663 C CG . PHE A 125 ? 0.4374 0.4846 0.4074 -0.1904 -0.0467 0.0043 171 PHE A CG 664 C CD1 . PHE A 125 ? 0.4278 0.4707 0.3938 -0.1799 -0.0447 0.0000 171 PHE A CD1 665 C CD2 . PHE A 125 ? 0.4256 0.4917 0.4034 -0.1949 -0.0476 0.0064 171 PHE A CD2 666 C CE1 . PHE A 125 ? 0.4165 0.4731 0.3852 -0.1751 -0.0434 -0.0014 171 PHE A CE1 667 C CE2 . PHE A 125 ? 0.4188 0.4972 0.3991 -0.1893 -0.0470 0.0051 171 PHE A CE2 668 C CZ . PHE A 125 ? 0.4157 0.4892 0.3910 -0.1799 -0.0448 0.0015 171 PHE A CZ 669 N N . SER A 126 ? 0.5114 0.4769 0.4481 -0.2063 -0.0611 0.0017 172 SER A N 670 C CA . SER A 126 ? 0.5331 0.4801 0.4638 -0.2114 -0.0635 0.0062 172 SER A CA 671 C C . SER A 126 ? 0.5179 0.4576 0.4473 -0.1998 -0.0604 0.0061 172 SER A C 672 O O . SER A 126 ? 0.5010 0.4430 0.4310 -0.1879 -0.0584 0.0002 172 SER A O 673 C CB . SER A 126 ? 0.5786 0.4988 0.4970 -0.2181 -0.0725 0.0024 172 SER A CB 674 O OG . SER A 126 ? 0.6048 0.5110 0.5159 -0.2078 -0.0759 -0.0077 172 SER A OG 675 N N . SER A 127 ? 0.5157 0.4484 0.4433 -0.2040 -0.0600 0.0130 173 SER A N 676 C CA . SER A 127 ? 0.5069 0.4326 0.4330 -0.1938 -0.0577 0.0135 173 SER A CA 677 C C . SER A 127 ? 0.5228 0.4227 0.4386 -0.1856 -0.0638 0.0060 173 SER A C 678 O O . SER A 127 ? 0.5373 0.4175 0.4443 -0.1907 -0.0711 0.0028 173 SER A O 679 C CB . SER A 127 ? 0.5225 0.4448 0.4470 -0.2012 -0.0568 0.0226 173 SER A CB 680 O OG . SER A 127 ? 0.5829 0.4784 0.4953 -0.2093 -0.0646 0.0243 173 SER A OG 681 N N . TRP A 128 ? 0.5143 0.4149 0.4319 -0.1725 -0.0610 0.0027 174 TRP A N 682 C CA . TRP A 128 ? 0.5345 0.4142 0.4444 -0.1624 -0.0660 -0.0052 174 TRP A CA 683 C C . TRP A 128 ? 0.5739 0.4533 0.4859 -0.1524 -0.0632 -0.0035 174 TRP A C 684 O O . TRP A 128 ? 0.5381 0.4368 0.4584 -0.1514 -0.0564 0.0016 174 TRP A O 685 C CB . TRP A 128 ? 0.5022 0.3889 0.4132 -0.1549 -0.0656 -0.0155 174 TRP A CB 686 C CG . TRP A 128 ? 0.4685 0.3840 0.3903 -0.1507 -0.0574 -0.0149 174 TRP A CG 687 C CD1 . TRP A 128 ? 0.4583 0.3940 0.3868 -0.1577 -0.0539 -0.0113 174 TRP A CD1 688 C CD2 . TRP A 128 ? 0.4500 0.3765 0.3772 -0.1387 -0.0525 -0.0178 174 TRP A CD2 689 N NE1 . TRP A 128 ? 0.4452 0.4019 0.3822 -0.1508 -0.0476 -0.0115 174 TRP A NE1 690 C CE2 . TRP A 128 ? 0.4391 0.3908 0.3753 -0.1397 -0.0464 -0.0152 174 TRP A CE2 691 C CE3 . TRP A 128 ? 0.4496 0.3672 0.3751 -0.1275 -0.0531 -0.0221 174 TRP A CE3 692 C CZ2 . TRP A 128 ? 0.4203 0.3874 0.3632 -0.1308 -0.0410 -0.0164 174 TRP A CZ2 693 C CZ3 . TRP A 128 ? 0.4370 0.3722 0.3701 -0.1186 -0.0471 -0.0237 174 TRP A CZ3 694 C CH2 . TRP A 128 ? 0.4192 0.3783 0.3605 -0.1208 -0.0412 -0.0206 174 TRP A CH2 695 N N . ASN A 129 ? 0.6680 0.5249 0.5724 -0.1448 -0.0691 -0.0082 175 ASN A N 696 C CA . ASN A 129 ? 0.7521 0.6064 0.6578 -0.1348 -0.0680 -0.0074 175 ASN A CA 697 C C . ASN A 129 ? 0.7217 0.5650 0.6249 -0.1212 -0.0719 -0.0185 175 ASN A C 698 O O . ASN A 129 ? 0.7482 0.5720 0.6435 -0.1210 -0.0792 -0.0249 175 ASN A O 699 C CB . ASN A 129 ? 0.8988 0.7339 0.7968 -0.1409 -0.0726 0.0011 175 ASN A CB 700 C CG . ASN A 129 ? 1.0295 0.8764 0.9295 -0.1550 -0.0687 0.0117 175 ASN A CG 701 O OD1 . ASN A 129 ? 1.0206 0.8928 0.9304 -0.1553 -0.0606 0.0146 175 ASN A OD1 702 N ND2 . ASN A 129 ? 1.1748 1.0034 1.0655 -0.1668 -0.0747 0.0173 175 ASN A ND2 703 N N . ILE A 130 ? 0.6589 0.5151 0.5689 -0.1099 -0.0673 -0.0213 176 ILE A N 704 C CA . ILE A 130 ? 0.6152 0.4635 0.5242 -0.0961 -0.0706 -0.0317 176 ILE A CA 705 C C . ILE A 130 ? 0.5986 0.4239 0.5016 -0.0916 -0.0775 -0.0295 176 ILE A C 706 O O . ILE A 130 ? 0.5960 0.4131 0.4952 -0.0999 -0.0789 -0.0193 176 ILE A O 707 C CB . ILE A 130 ? 0.5709 0.4457 0.4905 -0.0870 -0.0625 -0.0359 176 ILE A CB 708 C CG1 . ILE A 130 ? 0.5247 0.4159 0.4521 -0.0886 -0.0560 -0.0267 176 ILE A CG1 709 C CG2 . ILE A 130 ? 0.5586 0.4504 0.4810 -0.0899 -0.0584 -0.0404 176 ILE A CG2 710 C CD1 . ILE A 130 ? 0.5254 0.4052 0.4513 -0.0830 -0.0589 -0.0236 176 ILE A CD1 711 N N . SER A 131 ? 0.5899 0.4053 0.4919 -0.0786 -0.0821 -0.0389 177 SER A N 712 C CA . SER A 131 ? 0.5987 0.3895 0.4944 -0.0730 -0.0905 -0.0379 177 SER A CA 713 C C . SER A 131 ? 0.5628 0.3664 0.4664 -0.0614 -0.0871 -0.0391 177 SER A C 714 O O . SER A 131 ? 0.5481 0.3686 0.4596 -0.0511 -0.0830 -0.0482 177 SER A O 715 C CB . SER A 131 ? 0.6484 0.4138 0.5363 -0.0661 -0.1009 -0.0484 177 SER A CB 716 O OG . SER A 131 ? 0.7002 0.4413 0.5770 -0.0780 -0.1083 -0.0436 177 SER A OG 717 N N . LEU A 132 ? 0.5623 0.3587 0.4637 -0.0635 -0.0887 -0.0301 178 LEU A N 718 C CA . LEU A 132 ? 0.5619 0.3657 0.4694 -0.0519 -0.0878 -0.0317 178 LEU A CA 719 C C . LEU A 132 ? 0.5975 0.3756 0.4992 -0.0409 -0.0991 -0.0381 178 LEU A C 720 O O . LEU A 132 ? 0.6195 0.3692 0.5097 -0.0456 -0.1084 -0.0355 178 LEU A O 721 C CB . LEU A 132 ? 0.5453 0.3545 0.4530 -0.0584 -0.0845 -0.0196 178 LEU A CB 722 C CG . LEU A 132 ? 0.5087 0.3452 0.4242 -0.0665 -0.0735 -0.0141 178 LEU A CG 723 C CD1 . LEU A 132 ? 0.4844 0.3258 0.3996 -0.0717 -0.0707 -0.0034 178 LEU A CD1 724 C CD2 . LEU A 132 ? 0.4834 0.3453 0.4110 -0.0580 -0.0665 -0.0221 178 LEU A CD2 725 N N . PRO A 133 ? 0.5966 0.3844 0.5062 -0.0264 -0.0989 -0.0467 179 PRO A N 726 C CA . PRO A 133 ? 0.6179 0.3827 0.5234 -0.0141 -0.1101 -0.0535 179 PRO A CA 727 C C . PRO A 133 ? 0.6307 0.3753 0.5285 -0.0167 -0.1172 -0.0429 179 PRO A C 728 O O . PRO A 133 ? 0.6217 0.3765 0.5201 -0.0246 -0.1117 -0.0321 179 PRO A O 729 C CB . PRO A 133 ? 0.6043 0.3926 0.5229 0.0007 -0.1057 -0.0641 179 PRO A CB 730 C CG . PRO A 133 ? 0.5766 0.3953 0.5043 -0.0053 -0.0936 -0.0577 179 PRO A CG 731 C CD . PRO A 133 ? 0.5723 0.3928 0.4953 -0.0208 -0.0888 -0.0503 179 PRO A CD 732 N N . THR A 134 ? 0.6592 0.3741 0.5490 -0.0096 -0.1299 -0.0463 180 THR A N 733 C CA . THR A 134 ? 0.6809 0.3721 0.5608 -0.0125 -0.1387 -0.0358 180 THR A CA 734 C C . THR A 134 ? 0.6648 0.3669 0.5517 -0.0019 -0.1385 -0.0354 180 THR A C 735 O O . THR A 134 ? 0.7022 0.3848 0.5807 -0.0023 -0.1467 -0.0275 180 THR A O 736 C CB . THR A 134 ? 0.7395 0.3921 0.6073 -0.0094 -0.1539 -0.0391 180 THR A CB 737 O OG1 . THR A 134 ? 0.7631 0.4160 0.6379 0.0081 -0.1581 -0.0554 180 THR A OG1 738 C CG2 . THR A 134 ? 0.7508 0.3901 0.6093 -0.0241 -0.1548 -0.0357 180 THR A CG2 739 N N . VAL A 135 ? 0.6226 0.3554 0.5241 0.0067 -0.1296 -0.0429 181 VAL A N 740 C CA . VAL A 135 ? 0.6050 0.3508 0.5141 0.0153 -0.1287 -0.0419 181 VAL A CA 741 C C . VAL A 135 ? 0.6079 0.3578 0.5123 0.0030 -0.1244 -0.0272 181 VAL A C 742 O O . VAL A 135 ? 0.6096 0.3750 0.5152 -0.0089 -0.1146 -0.0217 181 VAL A O 743 C CB . VAL A 135 ? 0.5583 0.3386 0.4841 0.0243 -0.1191 -0.0522 181 VAL A CB 744 C CG1 . VAL A 135 ? 0.5337 0.3296 0.4681 0.0314 -0.1176 -0.0506 181 VAL A CG1 745 C CG2 . VAL A 135 ? 0.5609 0.3383 0.4908 0.0373 -0.1236 -0.0677 181 VAL A CG2 746 N N . PRO A 136 ? 0.6068 0.3431 0.5053 0.0053 -0.1316 -0.0207 182 PRO A N 747 C CA . PRO A 136 ? 0.5866 0.3285 0.4802 -0.0060 -0.1272 -0.0075 182 PRO A CA 748 C C . PRO A 136 ? 0.5544 0.3315 0.4615 -0.0062 -0.1144 -0.0084 182 PRO A C 749 O O . PRO A 136 ? 0.5363 0.3308 0.4559 0.0053 -0.1121 -0.0169 182 PRO A O 750 C CB . PRO A 136 ? 0.5988 0.3217 0.4854 0.0007 -0.1383 -0.0035 182 PRO A CB 751 C CG . PRO A 136 ? 0.6306 0.3274 0.5132 0.0108 -0.1509 -0.0113 182 PRO A CG 752 C CD . PRO A 136 ? 0.6268 0.3402 0.5216 0.0181 -0.1452 -0.0250 182 PRO A CD 753 N N . LYS A 137 ? 0.5439 0.3312 0.4485 -0.0195 -0.1064 0.0005 183 LYS A N 754 C CA . LYS A 137 ? 0.4952 0.3132 0.4114 -0.0206 -0.0952 0.0006 183 LYS A CA 755 C C . LYS A 137 ? 0.4900 0.3139 0.4091 -0.0138 -0.0971 0.0024 183 LYS A C 756 O O . LYS A 137 ? 0.5049 0.3143 0.4131 -0.0178 -0.1023 0.0108 183 LYS A O 757 C CB . LYS A 137 ? 0.4620 0.2881 0.3745 -0.0355 -0.0875 0.0093 183 LYS A CB 758 C CG . LYS A 137 ? 0.4163 0.2721 0.3410 -0.0365 -0.0767 0.0086 183 LYS A CG 759 C CD . LYS A 137 ? 0.3991 0.2622 0.3197 -0.0492 -0.0707 0.0178 183 LYS A CD 760 C CE . LYS A 137 ? 0.3656 0.2570 0.2991 -0.0493 -0.0608 0.0159 183 LYS A CE 761 N NZ . LYS A 137 ? 0.3482 0.2491 0.2798 -0.0605 -0.0545 0.0229 183 LYS A NZ 762 N N . PRO A 138 ? 0.4725 0.3171 0.4054 -0.0042 -0.0934 -0.0050 184 PRO A N 763 C CA . PRO A 138 ? 0.4855 0.3370 0.4217 0.0016 -0.0953 -0.0033 184 PRO A CA 764 C C . PRO A 138 ? 0.5089 0.3685 0.4410 -0.0088 -0.0896 0.0063 184 PRO A C 765 O O . PRO A 138 ? 0.5124 0.3794 0.4436 -0.0192 -0.0823 0.0100 184 PRO A O 766 C CB . PRO A 138 ? 0.4514 0.3281 0.4047 0.0109 -0.0902 -0.0131 184 PRO A CB 767 C CG . PRO A 138 ? 0.4371 0.3223 0.3950 0.0081 -0.0840 -0.0184 184 PRO A CG 768 C CD . PRO A 138 ? 0.4484 0.3093 0.3935 0.0022 -0.0888 -0.0156 184 PRO A CD 769 N N . PRO A 139 ? 0.5245 0.3826 0.4536 -0.0063 -0.0934 0.0102 185 PRO A N 770 C CA . PRO A 139 ? 0.5206 0.3874 0.4455 -0.0154 -0.0880 0.0183 185 PRO A CA 771 C C . PRO A 139 ? 0.4878 0.3818 0.4261 -0.0170 -0.0773 0.0151 185 PRO A C 772 O O . PRO A 139 ? 0.4609 0.3696 0.4123 -0.0090 -0.0756 0.0077 185 PRO A O 773 C CB . PRO A 139 ? 0.5237 0.3846 0.4444 -0.0095 -0.0953 0.0207 185 PRO A CB 774 C CG . PRO A 139 ? 0.5414 0.3810 0.4581 -0.0005 -0.1065 0.0174 185 PRO A CG 775 C CD . PRO A 139 ? 0.5320 0.3777 0.4596 0.0048 -0.1039 0.0078 185 PRO A CD 776 N N . PRO A 140 ? 0.4893 0.3911 0.4249 -0.0275 -0.0704 0.0206 186 PRO A N 777 C CA . PRO A 140 ? 0.4558 0.3816 0.4035 -0.0293 -0.0612 0.0181 186 PRO A CA 778 C C . PRO A 140 ? 0.4630 0.4021 0.4189 -0.0228 -0.0610 0.0156 186 PRO A C 779 O O . PRO A 140 ? 0.4909 0.4252 0.4403 -0.0221 -0.0648 0.0192 186 PRO A O 780 C CB . PRO A 140 ? 0.4525 0.3805 0.3932 -0.0407 -0.0560 0.0250 186 PRO A CB 781 C CG . PRO A 140 ? 0.4882 0.3947 0.4151 -0.0465 -0.0611 0.0300 186 PRO A CG 782 C CD . PRO A 140 ? 0.5071 0.3958 0.4284 -0.0384 -0.0710 0.0290 186 PRO A CD 783 N N . LYS A 141 ? 0.4339 0.3901 0.4035 -0.0187 -0.0568 0.0096 187 LYS A N 784 C CA . LYS A 141 ? 0.4339 0.4029 0.4128 -0.0124 -0.0574 0.0064 187 LYS A CA 785 C C . LYS A 141 ? 0.4197 0.4094 0.4106 -0.0152 -0.0497 0.0042 187 LYS A C 786 O O . LYS A 141 ? 0.4310 0.4281 0.4289 -0.0149 -0.0464 0.0004 187 LYS A O 787 C CB . LYS A 141 ? 0.4427 0.4089 0.4267 -0.0019 -0.0635 0.0001 187 LYS A CB 788 C CG . LYS A 141 ? 0.4418 0.4223 0.4364 0.0047 -0.0648 -0.0037 187 LYS A CG 789 C CD . LYS A 141 ? 0.4661 0.4430 0.4648 0.0156 -0.0719 -0.0099 187 LYS A CD 790 C CE . LYS A 141 ? 0.4832 0.4782 0.4945 0.0213 -0.0726 -0.0139 187 LYS A CE 791 N NZ . LYS A 141 ? 0.5102 0.5023 0.5254 0.0328 -0.0808 -0.0194 187 LYS A NZ 792 N N . PRO A 142 ? 0.3916 0.3902 0.3843 -0.0182 -0.0471 0.0066 188 PRO A N 793 C CA . PRO A 142 ? 0.3632 0.3793 0.3671 -0.0206 -0.0411 0.0049 188 PRO A CA 794 C C . PRO A 142 ? 0.3563 0.3846 0.3724 -0.0145 -0.0420 -0.0006 188 PRO A C 795 O O . PRO A 142 ? 0.3763 0.4017 0.3929 -0.0078 -0.0474 -0.0031 188 PRO A O 796 C CB . PRO A 142 ? 0.3575 0.3769 0.3588 -0.0239 -0.0400 0.0081 188 PRO A CB 797 C CG . PRO A 142 ? 0.3788 0.3873 0.3712 -0.0205 -0.0462 0.0098 188 PRO A CG 798 C CD . PRO A 142 ? 0.3949 0.3875 0.3787 -0.0196 -0.0498 0.0110 188 PRO A CD 799 N N . PRO A 143 ? 0.3332 0.3756 0.3590 -0.0169 -0.0372 -0.0025 189 PRO A N 800 C CA . PRO A 143 ? 0.3219 0.3786 0.3596 -0.0126 -0.0374 -0.0072 189 PRO A CA 801 C C . PRO A 143 ? 0.3165 0.3780 0.3579 -0.0103 -0.0407 -0.0072 189 PRO A C 802 O O . PRO A 143 ? 0.3088 0.3681 0.3466 -0.0139 -0.0403 -0.0038 189 PRO A O 803 C CB . PRO A 143 ? 0.3035 0.3727 0.3482 -0.0183 -0.0315 -0.0070 189 PRO A CB 804 C CG . PRO A 143 ? 0.3054 0.3655 0.3420 -0.0233 -0.0289 -0.0039 189 PRO A CG 805 C CD . PRO A 143 ? 0.3100 0.3558 0.3360 -0.0238 -0.0316 -0.0003 189 PRO A CD 806 N N . SER A 144 ? 0.3111 0.3797 0.3597 -0.0040 -0.0441 -0.0116 190 SER A N 807 C CA . SER A 144 ? 0.3274 0.4020 0.3806 -0.0019 -0.0477 -0.0120 190 SER A CA 808 C C . SER A 144 ? 0.3015 0.3911 0.3645 -0.0073 -0.0440 -0.0116 190 SER A C 809 O O . SER A 144 ? 0.2905 0.3906 0.3603 -0.0103 -0.0397 -0.0127 190 SER A O 810 C CB . SER A 144 ? 0.3604 0.4402 0.4200 0.0066 -0.0527 -0.0172 190 SER A CB 811 O OG . SER A 144 ? 0.4120 0.4755 0.4621 0.0123 -0.0580 -0.0172 190 SER A OG 812 N N . PRO A 145 ? 0.2892 0.3791 0.3522 -0.0090 -0.0460 -0.0100 191 PRO A N 813 C CA . PRO A 145 ? 0.2814 0.3842 0.3543 -0.0137 -0.0443 -0.0099 191 PRO A CA 814 C C . PRO A 145 ? 0.2730 0.3919 0.3582 -0.0117 -0.0448 -0.0138 191 PRO A C 815 O O . PRO A 145 ? 0.2668 0.3879 0.3543 -0.0052 -0.0490 -0.0172 191 PRO A O 816 C CB . PRO A 145 ? 0.2761 0.3746 0.3458 -0.0137 -0.0484 -0.0090 191 PRO A CB 817 C CG . PRO A 145 ? 0.2814 0.3646 0.3375 -0.0110 -0.0503 -0.0072 191 PRO A CG 818 C CD . PRO A 145 ? 0.2822 0.3607 0.3357 -0.0067 -0.0507 -0.0082 191 PRO A CD 819 N N . PRO A 146 ? 0.2661 0.3973 0.3593 -0.0172 -0.0407 -0.0135 192 PRO A N 820 C CA . PRO A 146 ? 0.2454 0.3951 0.3507 -0.0164 -0.0404 -0.0171 192 PRO A CA 821 C C . PRO A 146 ? 0.2390 0.3957 0.3512 -0.0154 -0.0454 -0.0183 192 PRO A C 822 O O . PRO A 146 ? 0.2268 0.3770 0.3363 -0.0185 -0.0478 -0.0158 192 PRO A O 823 C CB . PRO A 146 ? 0.2307 0.3901 0.3406 -0.0248 -0.0353 -0.0145 192 PRO A CB 824 C CG . PRO A 146 ? 0.2358 0.3808 0.3357 -0.0275 -0.0326 -0.0108 192 PRO A CG 825 C CD . PRO A 146 ? 0.2480 0.3775 0.3395 -0.0245 -0.0363 -0.0096 192 PRO A CD 826 N N . ALA A 147 ? 0.2548 0.4254 0.3760 -0.0107 -0.0473 -0.0230 193 ALA A N 827 C CA . ALA A 147 ? 0.2544 0.4346 0.3839 -0.0100 -0.0522 -0.0247 193 ALA A CA 828 C C . ALA A 147 ? 0.2694 0.4617 0.4073 -0.0200 -0.0505 -0.0220 193 ALA A C 829 O O . ALA A 147 ? 0.2614 0.4602 0.4014 -0.0262 -0.0453 -0.0199 193 ALA A O 830 C CB . ALA A 147 ? 0.2403 0.4351 0.3790 -0.0022 -0.0544 -0.0309 193 ALA A CB 831 N N . PRO A 148 ? 0.2858 0.4805 0.4280 -0.0220 -0.0555 -0.0218 194 PRO A N 832 C CA . PRO A 148 ? 0.2757 0.4805 0.4259 -0.0321 -0.0551 -0.0190 194 PRO A CA 833 C C . PRO A 148 ? 0.2655 0.4936 0.4276 -0.0361 -0.0511 -0.0203 194 PRO A C 834 O O . PRO A 148 ? 0.2612 0.5042 0.4311 -0.0304 -0.0516 -0.0253 194 PRO A O 835 C CB . PRO A 148 ? 0.2798 0.4848 0.4334 -0.0313 -0.0622 -0.0204 194 PRO A CB 836 C CG . PRO A 148 ? 0.3009 0.4889 0.4431 -0.0227 -0.0656 -0.0217 194 PRO A CG 837 C CD . PRO A 148 ? 0.2993 0.4858 0.4378 -0.0157 -0.0622 -0.0235 194 PRO A CD 838 N N . GLY A 149 ? 0.2590 0.4907 0.4225 -0.0460 -0.0474 -0.0158 195 GLY A N 839 C CA . GLY A 149 ? 0.2467 0.5011 0.4198 -0.0519 -0.0430 -0.0160 195 GLY A CA 840 C C . GLY A 149 ? 0.2566 0.5182 0.4283 -0.0467 -0.0372 -0.0194 195 GLY A C 841 O O . GLY A 149 ? 0.2680 0.5519 0.4482 -0.0499 -0.0333 -0.0214 195 GLY A O 842 N N . ALA A 150 ? 0.2543 0.4983 0.4153 -0.0392 -0.0365 -0.0206 196 ALA A N 843 C CA . ALA A 150 ? 0.2415 0.4903 0.4004 -0.0341 -0.0318 -0.0244 196 ALA A CA 844 C C . ALA A 150 ? 0.2338 0.4905 0.3920 -0.0434 -0.0256 -0.0207 196 ALA A C 845 O O . ALA A 150 ? 0.2285 0.4779 0.3835 -0.0522 -0.0256 -0.0141 196 ALA A O 846 C CB . ALA A 150 ? 0.2422 0.4681 0.3888 -0.0260 -0.0331 -0.0252 196 ALA A CB 847 N N . PRO A 151 ? 0.2268 0.4989 0.3878 -0.0413 -0.0209 -0.0252 197 PRO A N 848 C CA . PRO A 151 ? 0.2341 0.5151 0.3933 -0.0502 -0.0150 -0.0218 197 PRO A CA 849 C C . PRO A 151 ? 0.2572 0.5163 0.4039 -0.0527 -0.0141 -0.0166 197 PRO A C 850 O O . PRO A 151 ? 0.2562 0.4975 0.3950 -0.0452 -0.0154 -0.0184 197 PRO A O 851 C CB . PRO A 151 ? 0.2198 0.5190 0.3828 -0.0441 -0.0107 -0.0299 197 PRO A CB 852 C CG . PRO A 151 ? 0.2099 0.5177 0.3819 -0.0343 -0.0146 -0.0370 197 PRO A CG 853 C CD . PRO A 151 ? 0.2162 0.5010 0.3835 -0.0307 -0.0212 -0.0341 197 PRO A CD 854 N N . VAL A 152 ? 0.2617 0.5225 0.4068 -0.0637 -0.0121 -0.0098 198 VAL A N 855 C CA . VAL A 152 ? 0.2538 0.4969 0.3887 -0.0669 -0.0114 -0.0046 198 VAL A CA 856 C C . VAL A 152 ? 0.2778 0.5331 0.4105 -0.0734 -0.0061 -0.0030 198 VAL A C 857 O O . VAL A 152 ? 0.2902 0.5616 0.4279 -0.0827 -0.0046 0.0005 198 VAL A O 858 C CB . VAL A 152 ? 0.2118 0.4418 0.3455 -0.0735 -0.0157 0.0026 198 VAL A CB 859 C CG1 . VAL A 152 ? 0.2012 0.4165 0.3259 -0.0769 -0.0148 0.0075 198 VAL A CG1 860 C CG2 . VAL A 152 ? 0.1765 0.3937 0.3105 -0.0670 -0.0208 0.0006 198 VAL A CG2 861 N N . SER A 153 ? 0.2886 0.5361 0.4132 -0.0692 -0.0035 -0.0053 199 SER A N 862 C CA . SER A 153 ? 0.2907 0.5474 0.4111 -0.0745 0.0013 -0.0042 199 SER A CA 863 C C . SER A 153 ? 0.2957 0.5383 0.4091 -0.0822 0.0000 0.0043 199 SER A C 864 O O . SER A 153 ? 0.2890 0.5117 0.3976 -0.0789 -0.0030 0.0060 199 SER A O 865 C CB . SER A 153 ? 0.3025 0.5572 0.4180 -0.0653 0.0038 -0.0121 199 SER A CB 866 O OG . SER A 153 ? 0.3290 0.5868 0.4376 -0.0696 0.0077 -0.0112 199 SER A OG 867 N N . ARG A 154 ? 0.2959 0.5497 0.4089 -0.0925 0.0020 0.0097 200 ARG A N 868 C CA . ARG A 154 ? 0.3160 0.5575 0.4229 -0.0999 -0.0001 0.0180 200 ARG A CA 869 C C . ARG A 154 ? 0.3087 0.5529 0.4074 -0.1015 0.0037 0.0177 200 ARG A C 870 O O . ARG A 154 ? 0.2997 0.5629 0.3985 -0.1053 0.0081 0.0159 200 ARG A O 871 C CB . ARG A 154 ? 0.3508 0.5985 0.4615 -0.1115 -0.0027 0.0260 200 ARG A CB 872 C CG . ARG A 154 ? 0.3990 0.6491 0.5189 -0.1112 -0.0061 0.0254 200 ARG A CG 873 C CD . ARG A 154 ? 0.4432 0.6899 0.5638 -0.1210 -0.0101 0.0335 200 ARG A CD 874 N NE . ARG A 154 ? 0.4806 0.7060 0.5994 -0.1219 -0.0164 0.0384 200 ARG A NE 875 C CZ . ARG A 154 ? 0.5104 0.7231 0.6221 -0.1263 -0.0188 0.0449 200 ARG A CZ 876 N NH1 . ARG A 154 ? 0.5339 0.7529 0.6387 -0.1309 -0.0154 0.0479 200 ARG A NH1 877 N NH2 . ARG A 154 ? 0.4942 0.6887 0.6057 -0.1260 -0.0250 0.0482 200 ARG A NH2 878 N N . ILE A 155 ? 0.3053 0.5318 0.3972 -0.0989 0.0021 0.0192 201 ILE A N 879 C CA . ILE A 155 ? 0.2802 0.5067 0.3639 -0.0999 0.0048 0.0187 201 ILE A CA 880 C C . ILE A 155 ? 0.2748 0.4926 0.3541 -0.1079 0.0017 0.0277 201 ILE A C 881 O O . ILE A 155 ? 0.2587 0.4602 0.3382 -0.1063 -0.0026 0.0309 201 ILE A O 882 C CB . ILE A 155 ? 0.2498 0.4637 0.3292 -0.0903 0.0052 0.0123 201 ILE A CB 883 C CG1 . ILE A 155 ? 0.2332 0.4540 0.3166 -0.0817 0.0070 0.0033 201 ILE A CG1 884 C CG2 . ILE A 155 ? 0.2347 0.4474 0.3054 -0.0921 0.0073 0.0119 201 ILE A CG2 885 C CD1 . ILE A 155 ? 0.2300 0.4707 0.3136 -0.0818 0.0117 -0.0024 201 ILE A CD1 886 N N . LEU A 156 ? 0.2833 0.5125 0.3585 -0.1161 0.0036 0.0316 202 LEU A N 887 C CA . LEU A 156 ? 0.1751 0.3958 0.2446 -0.1229 0.0002 0.0397 202 LEU A CA 888 C C . LEU A 156 ? 0.2380 0.4500 0.3005 -0.1182 0.0011 0.0366 202 LEU A C 889 O O . LEU A 156 ? 0.2333 0.4528 0.2923 -0.1147 0.0055 0.0298 202 LEU A O 890 C CB . LEU A 156 ? 0.1842 0.4174 0.2491 -0.1326 0.0013 0.0452 202 LEU A CB 891 C CG . LEU A 156 ? 0.1925 0.4154 0.2486 -0.1382 -0.0027 0.0533 202 LEU A CG 892 C CD1 . LEU A 156 ? 0.1934 0.3977 0.2524 -0.1387 -0.0102 0.0600 202 LEU A CD1 893 C CD2 . LEU A 156 ? 0.2045 0.4390 0.2532 -0.1458 -0.0012 0.0573 202 LEU A CD2 894 N N . PHE A 157 ? 0.1742 0.3705 0.2352 -0.1180 -0.0034 0.0410 203 PHE A N 895 C CA . PHE A 157 ? 0.2147 0.4026 0.2701 -0.1144 -0.0033 0.0387 203 PHE A CA 896 C C . PHE A 157 ? 0.2172 0.4021 0.2678 -0.1213 -0.0069 0.0463 203 PHE A C 897 O O . PHE A 157 ? 0.2078 0.3835 0.2614 -0.1232 -0.0123 0.0524 203 PHE A O 898 C CB . PHE A 157 ? 0.1682 0.3412 0.2266 -0.1065 -0.0052 0.0358 203 PHE A CB 899 C CG . PHE A 157 ? 0.1837 0.3505 0.2368 -0.1028 -0.0041 0.0320 203 PHE A CG 900 C CD1 . PHE A 157 ? 0.1772 0.3372 0.2277 -0.1052 -0.0071 0.0361 203 PHE A CD1 901 C CD2 . PHE A 157 ? 0.1683 0.3361 0.2192 -0.0973 -0.0006 0.0243 203 PHE A CD2 902 C CE1 . PHE A 157 ? 0.1829 0.3381 0.2288 -0.1028 -0.0062 0.0327 203 PHE A CE1 903 C CE2 . PHE A 157 ? 0.1702 0.3311 0.2157 -0.0949 -0.0002 0.0211 203 PHE A CE2 904 C CZ . PHE A 157 ? 0.1709 0.3260 0.2139 -0.0982 -0.0027 0.0254 203 PHE A CZ 905 N N . LEU A 158 ? 0.2213 0.4139 0.2645 -0.1245 -0.0044 0.0454 204 LEU A N 906 C CA . LEU A 158 ? 0.2223 0.4132 0.2596 -0.1310 -0.0080 0.0523 204 LEU A CA 907 C C . LEU A 158 ? 0.2199 0.4052 0.2523 -0.1273 -0.0076 0.0483 204 LEU A C 908 O O . LEU A 158 ? 0.2160 0.4059 0.2450 -0.1237 -0.0031 0.0407 204 LEU A O 909 C CB . LEU A 158 ? 0.2263 0.4329 0.2575 -0.1400 -0.0058 0.0558 204 LEU A CB 910 C CG . LEU A 158 ? 0.2138 0.4276 0.2477 -0.1444 -0.0056 0.0596 204 LEU A CG 911 C CD1 . LEU A 158 ? 0.2143 0.4413 0.2388 -0.1517 -0.0035 0.0622 204 LEU A CD1 912 C CD2 . LEU A 158 ? 0.2362 0.4346 0.2741 -0.1454 -0.0130 0.0672 204 LEU A CD2 913 N N . THR A 159 ? 0.2170 0.3925 0.2494 -0.1281 -0.0129 0.0532 205 THR A N 914 C CA . THR A 159 ? 0.2199 0.3911 0.2484 -0.1257 -0.0130 0.0500 205 THR A CA 915 C C . THR A 159 ? 0.2340 0.4010 0.2607 -0.1300 -0.0192 0.0574 205 THR A C 916 O O . THR A 159 ? 0.2219 0.3840 0.2529 -0.1318 -0.0243 0.0640 205 THR A O 917 C CB . THR A 159 ? 0.2090 0.3705 0.2425 -0.1176 -0.0122 0.0444 205 THR A CB 918 O OG1 . THR A 159 ? 0.2129 0.3714 0.2421 -0.1164 -0.0119 0.0409 205 THR A OG1 919 C CG2 . THR A 159 ? 0.1862 0.3385 0.2275 -0.1153 -0.0167 0.0484 205 THR A CG2 920 N N . ASP A 160 ? 0.2657 0.4345 0.2861 -0.1315 -0.0194 0.0560 206 ASP A N 921 C CA . ASP A 160 ? 0.2959 0.4612 0.3148 -0.1347 -0.0257 0.0620 206 ASP A CA 922 C C . ASP A 160 ? 0.2771 0.4444 0.2938 -0.1417 -0.0305 0.0715 206 ASP A C 923 O O . ASP A 160 ? 0.2759 0.4353 0.2978 -0.1416 -0.0370 0.0776 206 ASP A O 924 C CB . ASP A 160 ? 0.3428 0.4982 0.3703 -0.1288 -0.0291 0.0614 206 ASP A CB 925 C CG . ASP A 160 ? 0.4015 0.5547 0.4296 -0.1236 -0.0248 0.0533 206 ASP A CG 926 O OD1 . ASP A 160 ? 0.4502 0.6046 0.4741 -0.1249 -0.0252 0.0513 206 ASP A OD1 927 O OD2 . ASP A 160 ? 0.4178 0.5678 0.4501 -0.1188 -0.0215 0.0491 206 ASP A OD2 928 N N . LEU A 161 ? 0.2505 0.4287 0.2591 -0.1481 -0.0273 0.0726 207 LEU A N 929 C CA . LEU A 161 ? 0.2479 0.4286 0.2526 -0.1566 -0.0317 0.0825 207 LEU A CA 930 C C . LEU A 161 ? 0.2494 0.4276 0.2479 -0.1610 -0.0385 0.0890 207 LEU A C 931 O O . LEU A 161 ? 0.2499 0.4222 0.2485 -0.1654 -0.0460 0.0984 207 LEU A O 932 C CB . LEU A 161 ? 0.2347 0.4304 0.2328 -0.1626 -0.0255 0.0817 207 LEU A CB 933 C CG . LEU A 161 ? 0.3575 0.5561 0.3625 -0.1609 -0.0218 0.0797 207 LEU A CG 934 C CD1 . LEU A 161 ? 0.2164 0.4107 0.2297 -0.1508 -0.0176 0.0700 207 LEU A CD1 935 C CD2 . LEU A 161 ? 0.2367 0.4511 0.2339 -0.1657 -0.0162 0.0782 207 LEU A CD2 936 N N . HIS A 162 ? 0.2535 0.4351 0.2466 -0.1598 -0.0369 0.0841 208 HIS A N 937 C CA . HIS A 162 ? 0.2816 0.4612 0.2695 -0.1630 -0.0435 0.0889 208 HIS A CA 938 C C . HIS A 162 ? 0.2931 0.4745 0.2734 -0.1724 -0.0495 0.1003 208 HIS A C 939 O O . HIS A 162 ? 0.2873 0.4591 0.2707 -0.1731 -0.0585 0.1082 208 HIS A O 940 C CB . HIS A 162 ? 0.2952 0.4635 0.2932 -0.1562 -0.0494 0.0890 208 HIS A CB 941 C CG . HIS A 162 ? 0.2964 0.4638 0.2990 -0.1492 -0.0446 0.0791 208 HIS A CG 942 N ND1 . HIS A 162 ? 0.2964 0.4682 0.2928 -0.1500 -0.0429 0.0743 208 HIS A ND1 943 C CD2 . HIS A 162 ? 0.2749 0.4370 0.2869 -0.1420 -0.0415 0.0737 208 HIS A CD2 944 C CE1 . HIS A 162 ? 0.2815 0.4501 0.2836 -0.1440 -0.0392 0.0666 208 HIS A CE1 945 N NE2 . HIS A 162 ? 0.2752 0.4383 0.2863 -0.1392 -0.0382 0.0663 208 HIS A NE2 946 N N . TRP A 163 ? 0.2953 0.4891 0.2654 -0.1796 -0.0446 0.1010 209 TRP A N 947 C CA . TRP A 163 ? 0.3086 0.5059 0.2689 -0.1904 -0.0497 0.1122 209 TRP A CA 948 C C . TRP A 163 ? 0.3304 0.5257 0.2831 -0.1930 -0.0566 0.1162 209 TRP A C 949 O O . TRP A 163 ? 0.2942 0.4958 0.2416 -0.1914 -0.0532 0.1091 209 TRP A O 950 C CB . TRP A 163 ? 0.3178 0.5325 0.2685 -0.1977 -0.0416 0.1107 209 TRP A CB 951 C CG . TRP A 163 ? 0.3408 0.5599 0.2780 -0.2077 -0.0466 0.1203 209 TRP A CG 952 C CD1 . TRP A 163 ? 0.3515 0.5599 0.2874 -0.2125 -0.0565 0.1322 209 TRP A CD1 953 C CD2 . TRP A 163 ? 0.3581 0.5929 0.2810 -0.2139 -0.0426 0.1182 209 TRP A CD2 954 N NE1 . TRP A 163 ? 0.3773 0.5934 0.2995 -0.2215 -0.0592 0.1381 209 TRP A NE1 955 C CE2 . TRP A 163 ? 0.3782 0.6112 0.2923 -0.2225 -0.0506 0.1294 209 TRP A CE2 956 C CE3 . TRP A 163 ? 0.3664 0.6168 0.2835 -0.2129 -0.0333 0.1075 209 TRP A CE3 957 C CZ2 . TRP A 163 ? 0.3892 0.6361 0.2897 -0.2301 -0.0494 0.1299 209 TRP A CZ2 958 C CZ3 . TRP A 163 ? 0.3837 0.6476 0.2866 -0.2198 -0.0321 0.1076 209 TRP A CZ3 959 C CH2 . TRP A 163 ? 0.3913 0.6539 0.2865 -0.2285 -0.0400 0.1187 209 TRP A CH2 960 N N . ASP A 164 ? 0.3444 0.5302 0.2963 -0.1969 -0.0670 0.1274 210 ASP A N 961 C CA . ASP A 164 ? 0.3592 0.5433 0.3033 -0.2000 -0.0750 0.1326 210 ASP A CA 962 C C . ASP A 164 ? 0.3818 0.5723 0.3107 -0.2130 -0.0780 0.1435 210 ASP A C 963 O O . ASP A 164 ? 0.3854 0.5673 0.3139 -0.2182 -0.0857 0.1548 210 ASP A O 964 C CB . ASP A 164 ? 0.3590 0.5278 0.3137 -0.1938 -0.0858 0.1367 210 ASP A CB 965 C CG . ASP A 164 ? 0.3770 0.5453 0.3252 -0.1958 -0.0941 0.1409 210 ASP A CG 966 O OD1 . ASP A 164 ? 0.3971 0.5768 0.3327 -0.2014 -0.0905 0.1391 210 ASP A OD1 967 O OD2 . ASP A 164 ? 0.3674 0.5250 0.3235 -0.1911 -0.1042 0.1447 210 ASP A OD2 968 N N . HIS A 165 ? 0.3918 0.5972 0.3075 -0.2183 -0.0723 0.1401 211 HIS A N 969 C CA . HIS A 165 ? 0.4129 0.6272 0.3127 -0.2307 -0.0741 0.1491 211 HIS A CA 970 C C . HIS A 165 ? 0.4212 0.6234 0.3168 -0.2354 -0.0882 0.1621 211 HIS A C 971 O O . HIS A 165 ? 0.4300 0.6325 0.3202 -0.2428 -0.0926 0.1688 211 HIS A O 972 C CB . HIS A 165 ? 0.4347 0.6661 0.3222 -0.2332 -0.0667 0.1406 211 HIS A CB 973 C CG . HIS A 165 ? 0.4844 0.7238 0.3595 -0.2425 -0.0700 0.1455 211 HIS A CG 974 N ND1 . HIS A 165 ? 0.4997 0.7344 0.3674 -0.2467 -0.0792 0.1526 211 HIS A ND1 975 C CD2 . HIS A 165 ? 0.4962 0.7486 0.3659 -0.2484 -0.0653 0.1443 211 HIS A CD2 976 C CE1 . HIS A 165 ? 0.5180 0.7617 0.3764 -0.2554 -0.0796 0.1558 211 HIS A CE1 977 N NE2 . HIS A 165 ? 0.5186 0.7738 0.3777 -0.2569 -0.0712 0.1509 211 HIS A NE2 978 N N . ASP A 166 ? 0.4196 0.6103 0.3217 -0.2286 -0.0960 0.1626 212 ASP A N 979 C CA . ASP A 166 ? 0.4576 0.6374 0.3552 -0.2323 -0.1103 0.1747 212 ASP A CA 980 C C . ASP A 166 ? 0.4518 0.6125 0.3630 -0.2268 -0.1202 0.1808 212 ASP A C 981 O O . ASP A 166 ? 0.4678 0.6173 0.3785 -0.2266 -0.1333 0.1891 212 ASP A O 982 C CB . ASP A 166 ? 0.4890 0.6706 0.3846 -0.2282 -0.1145 0.1705 212 ASP A CB 983 C CG . ASP A 166 ? 0.5264 0.7253 0.4061 -0.2346 -0.1071 0.1654 212 ASP A CG 984 O OD1 . ASP A 166 ? 0.5439 0.7534 0.4173 -0.2410 -0.0987 0.1637 212 ASP A OD1 985 O OD2 . ASP A 166 ? 0.5407 0.7422 0.4190 -0.2313 -0.1090 0.1600 212 ASP A OD2 986 N N . TYR A 167 ? 0.4325 0.5891 0.3556 -0.2220 -0.1150 0.1767 213 TYR A N 987 C CA . TYR A 167 ? 0.4270 0.5652 0.3617 -0.2174 -0.1246 0.1822 213 TYR A CA 988 C C . TYR A 167 ? 0.4606 0.5884 0.3850 -0.2276 -0.1374 0.1984 213 TYR A C 989 O O . TYR A 167 ? 0.4644 0.6004 0.3787 -0.2377 -0.1344 0.2014 213 TYR A O 990 C CB . TYR A 167 ? 0.4135 0.5504 0.3579 -0.2147 -0.1171 0.1776 213 TYR A CB 991 C CG . TYR A 167 ? 0.4224 0.5403 0.3811 -0.2067 -0.1261 0.1794 213 TYR A CG 992 C CD1 . TYR A 167 ? 0.3938 0.5079 0.3677 -0.1931 -0.1248 0.1689 213 TYR A CD1 993 C CD2 . TYR A 167 ? 0.4434 0.5471 0.3999 -0.2131 -0.1364 0.1915 213 TYR A CD2 994 C CE1 . TYR A 167 ? 0.3968 0.4953 0.3836 -0.1851 -0.1327 0.1692 213 TYR A CE1 995 C CE2 . TYR A 167 ? 0.4457 0.5312 0.4154 -0.2048 -0.1454 0.1919 213 TYR A CE2 996 C CZ . TYR A 167 ? 0.4323 0.5162 0.4173 -0.1903 -0.1431 0.1801 213 TYR A CZ 997 O OH . TYR A 167 ? 0.3658 0.4335 0.3639 -0.1811 -0.1512 0.1788 213 TYR A OH 998 N N . LEU A 168 ? 0.4822 0.5926 0.4141 -0.2217 -0.1511 0.2035 214 LEU A N 999 C CA . LEU A 168 ? 0.5037 0.6004 0.4305 -0.2286 -0.1639 0.2155 214 LEU A CA 1000 C C . LEU A 168 ? 0.4920 0.5669 0.4314 -0.2208 -0.1759 0.2193 214 LEU A C 1001 O O . LEU A 168 ? 0.4777 0.5462 0.4277 -0.2089 -0.1827 0.2153 214 LEU A O 1002 C CB . LEU A 168 ? 0.5254 0.6236 0.4453 -0.2301 -0.1700 0.2180 214 LEU A CB 1003 C CG . LEU A 168 ? 0.5635 0.6512 0.4762 -0.2397 -0.1796 0.2286 214 LEU A CG 1004 C CD1 . LEU A 168 ? 0.5698 0.6689 0.4734 -0.2520 -0.1717 0.2300 214 LEU A CD1 1005 C CD2 . LEU A 168 ? 0.5744 0.6636 0.4794 -0.2415 -0.1850 0.2312 214 LEU A CD2 1006 N N . GLU A 169 ? 0.5048 0.5700 0.4448 -0.2267 -0.1782 0.2244 215 GLU A N 1007 C CA . GLU A 169 ? 0.5367 0.5790 0.4871 -0.2208 -0.1908 0.2283 215 GLU A CA 1008 C C . GLU A 169 ? 0.5356 0.5630 0.4878 -0.2165 -0.2055 0.2329 215 GLU A C 1009 O O . GLU A 169 ? 0.5411 0.5727 0.4833 -0.2232 -0.2075 0.2371 215 GLU A O 1010 C CB . GLU A 169 ? 0.5993 0.6359 0.5464 -0.2308 -0.1918 0.2334 215 GLU A CB 1011 C CG . GLU A 169 ? 0.6455 0.7048 0.5813 -0.2416 -0.1788 0.2313 215 GLU A CG 1012 C CD . GLU A 169 ? 0.7244 0.7829 0.6496 -0.2542 -0.1844 0.2394 215 GLU A CD 1013 O OE1 . GLU A 169 ? 0.7660 0.8050 0.6937 -0.2561 -0.1968 0.2463 215 GLU A OE1 1014 O OE2 . GLU A 169 ? 0.7436 0.8212 0.6575 -0.2624 -0.1765 0.2385 215 GLU A OE2 1015 N N . GLY A 170 ? 0.5312 0.5412 0.4967 -0.2044 -0.2158 0.2311 216 GLY A N 1016 C CA . GLY A 170 ? 0.5455 0.5400 0.5152 -0.1981 -0.2301 0.2338 216 GLY A CA 1017 C C . GLY A 170 ? 0.5427 0.5473 0.5168 -0.1886 -0.2301 0.2276 216 GLY A C 1018 O O . GLY A 170 ? 0.5706 0.5632 0.5520 -0.1798 -0.2417 0.2274 216 GLY A O 1019 N N . THR A 171 ? 0.5108 0.5373 0.4812 -0.1898 -0.2178 0.2216 217 THR A N 1020 C CA . THR A 171 ? 0.5015 0.5387 0.4767 -0.1815 -0.2177 0.2147 217 THR A CA 1021 C C . THR A 171 ? 0.4851 0.5234 0.4803 -0.1656 -0.2188 0.2037 217 THR A C 1022 O O . THR A 171 ? 0.4777 0.5094 0.4819 -0.1609 -0.2189 0.2010 217 THR A O 1023 C CB . THR A 171 ? 0.4815 0.5410 0.4457 -0.1889 -0.2046 0.2112 217 THR A CB 1024 O OG1 . THR A 171 ? 0.4638 0.5345 0.4309 -0.1886 -0.1928 0.2042 217 THR A OG1 1025 C CG2 . THR A 171 ? 0.4884 0.5496 0.4338 -0.2044 -0.2029 0.2205 217 THR A CG2 1026 N N . ASP A 172 ? 0.4635 0.5115 0.4661 -0.1575 -0.2194 0.1967 218 ASP A N 1027 C CA . ASP A 172 ? 0.4577 0.5080 0.4807 -0.1422 -0.2214 0.1859 218 ASP A CA 1028 C C . ASP A 172 ? 0.4458 0.5094 0.4757 -0.1395 -0.2054 0.1744 218 ASP A C 1029 O O . ASP A 172 ? 0.4285 0.5078 0.4519 -0.1445 -0.1936 0.1700 218 ASP A O 1030 C CB . ASP A 172 ? 0.4477 0.5061 0.4766 -0.1353 -0.2251 0.1814 218 ASP A CB 1031 C CG . ASP A 172 ? 0.4249 0.4866 0.4760 -0.1192 -0.2281 0.1703 218 ASP A CG 1032 O OD1 . ASP A 172 ? 0.4070 0.4630 0.4687 -0.1127 -0.2281 0.1661 218 ASP A OD1 1033 O OD2 . ASP A 172 ? 0.4231 0.4938 0.4810 -0.1130 -0.2306 0.1656 218 ASP A OD2 1034 N N . PRO A 173 ? 0.4391 0.4956 0.4813 -0.1314 -0.2034 0.1683 219 PRO A N 1035 C CA . PRO A 173 ? 0.4252 0.4936 0.4746 -0.1274 -0.1875 0.1562 219 PRO A CA 1036 C C . PRO A 173 ? 0.4224 0.5043 0.4853 -0.1172 -0.1844 0.1451 219 PRO A C 1037 O O . PRO A 173 ? 0.4130 0.5078 0.4780 -0.1168 -0.1709 0.1364 219 PRO A O 1038 C CB . PRO A 173 ? 0.4097 0.4648 0.4668 -0.1225 -0.1885 0.1543 219 PRO A CB 1039 C CG . PRO A 173 ? 0.4249 0.4612 0.4842 -0.1194 -0.2065 0.1624 219 PRO A CG 1040 C CD . PRO A 173 ? 0.4494 0.4852 0.4965 -0.1274 -0.2155 0.1733 219 PRO A CD 1041 N N . ASP A 174 ? 0.4278 0.5078 0.5001 -0.1093 -0.1966 0.1453 220 ASP A N 1042 C CA . ASP A 174 ? 0.4395 0.5346 0.5257 -0.1002 -0.1940 0.1350 220 ASP A CA 1043 C C . ASP A 174 ? 0.4100 0.5151 0.4910 -0.1044 -0.1988 0.1384 220 ASP A C 1044 O O . ASP A 174 ? 0.3993 0.5083 0.4914 -0.0965 -0.2083 0.1364 220 ASP A O 1045 C CB . ASP A 174 ? 0.5205 0.6099 0.6248 -0.0861 -0.2032 0.1298 220 ASP A CB 1046 C CG . ASP A 174 ? 0.5859 0.6934 0.7063 -0.0766 -0.1966 0.1170 220 ASP A CG 1047 O OD1 . ASP A 174 ? 0.5870 0.7071 0.7057 -0.0802 -0.1823 0.1109 220 ASP A OD1 1048 O OD2 . ASP A 174 ? 0.6445 0.7538 0.7795 -0.0655 -0.2061 0.1129 220 ASP A OD2 1049 N N . CYS A 175 ? 0.3970 0.5072 0.4616 -0.1163 -0.1924 0.1428 221 CYS A N 1050 C CA . CYS A 175 ? 0.3960 0.5148 0.4530 -0.1215 -0.1971 0.1463 221 CYS A CA 1051 C C . CYS A 175 ? 0.3884 0.5258 0.4543 -0.1181 -0.1887 0.1354 221 CYS A C 1052 O O . CYS A 175 ? 0.3780 0.5212 0.4551 -0.1123 -0.1793 0.1258 221 CYS A O 1053 C CB . CYS A 175 ? 0.3953 0.5127 0.4304 -0.1356 -0.1938 0.1548 221 CYS A CB 1054 S SG . CYS A 175 ? 0.3865 0.5176 0.4124 -0.1429 -0.1740 0.1468 221 CYS A SG 1055 N N . ALA A 176 ? 0.3948 0.5399 0.4546 -0.1218 -0.1907 0.1363 222 ALA A N 1056 C CA . ALA A 176 ? 0.3785 0.5403 0.4469 -0.1192 -0.1845 0.1266 222 ALA A CA 1057 C C . ALA A 176 ? 0.3568 0.5275 0.4150 -0.1280 -0.1713 0.1223 222 ALA A C 1058 O O . ALA A 176 ? 0.3509 0.5337 0.4162 -0.1266 -0.1646 0.1137 222 ALA A O 1059 C CB . ALA A 176 ? 0.3411 0.5065 0.4092 -0.1178 -0.1930 0.1282 222 ALA A CB 1060 N N . ASP A 177 ? 0.3654 0.5301 0.4072 -0.1368 -0.1672 0.1276 223 ASP A N 1061 C CA . ASP A 177 ? 0.3760 0.5469 0.4075 -0.1435 -0.1538 0.1223 223 ASP A CA 1062 C C . ASP A 177 ? 0.3478 0.5175 0.3875 -0.1388 -0.1423 0.1146 223 ASP A C 1063 O O . ASP A 177 ? 0.3340 0.4964 0.3836 -0.1322 -0.1442 0.1150 223 ASP A O 1064 C CB . ASP A 177 ? 0.4226 0.5889 0.4339 -0.1537 -0.1529 0.1299 223 ASP A CB 1065 C CG . ASP A 177 ? 0.4767 0.6430 0.4773 -0.1588 -0.1630 0.1376 223 ASP A CG 1066 O OD1 . ASP A 177 ? 0.4940 0.6662 0.4996 -0.1557 -0.1659 0.1339 223 ASP A OD1 1067 O OD2 . ASP A 177 ? 0.5082 0.6671 0.4954 -0.1653 -0.1667 0.1470 223 ASP A OD2 1068 N N . PRO A 178 ? 0.3449 0.5211 0.3802 -0.1421 -0.1308 0.1074 224 PRO A N 1069 C CA . PRO A 178 ? 0.3326 0.5067 0.3734 -0.1384 -0.1200 0.1008 224 PRO A CA 1070 C C . PRO A 178 ? 0.3399 0.5045 0.3740 -0.1403 -0.1168 0.1051 224 PRO A C 1071 O O . PRO A 178 ? 0.3401 0.5018 0.3801 -0.1363 -0.1097 0.1005 224 PRO A O 1072 C CB . PRO A 178 ? 0.3203 0.5019 0.3549 -0.1428 -0.1105 0.0934 224 PRO A CB 1073 C CG . PRO A 178 ? 0.3338 0.5210 0.3582 -0.1493 -0.1158 0.0960 224 PRO A CG 1074 C CD . PRO A 178 ? 0.3467 0.5327 0.3757 -0.1473 -0.1289 0.1035 224 PRO A CD 1075 N N . LEU A 179 ? 0.3459 0.5063 0.3675 -0.1469 -0.1218 0.1137 225 LEU A N 1076 C CA . LEU A 179 ? 0.3418 0.4943 0.3576 -0.1498 -0.1198 0.1188 225 LEU A CA 1077 C C . LEU A 179 ? 0.3687 0.5134 0.3793 -0.1534 -0.1323 0.1304 225 LEU A C 1078 O O . LEU A 179 ? 0.3862 0.5343 0.3887 -0.1581 -0.1388 0.1351 225 LEU A O 1079 C CB . LEU A 179 ? 0.3284 0.4864 0.3304 -0.1573 -0.1092 0.1164 225 LEU A CB 1080 C CG . LEU A 179 ? 0.3305 0.4840 0.3273 -0.1609 -0.1049 0.1201 225 LEU A CG 1081 C CD1 . LEU A 179 ? 0.2770 0.4253 0.2866 -0.1532 -0.1000 0.1146 225 LEU A CD1 1082 C CD2 . LEU A 179 ? 0.2925 0.4549 0.2751 -0.1684 -0.0958 0.1177 225 LEU A CD2 1083 N N . CYS A 180 ? 0.3714 0.5048 0.3862 -0.1513 -0.1365 0.1353 226 CYS A N 1084 C CA . CYS A 180 ? 0.3846 0.5074 0.3957 -0.1538 -0.1502 0.1468 226 CYS A CA 1085 C C . CYS A 180 ? 0.3996 0.5150 0.4004 -0.1620 -0.1491 0.1547 226 CYS A C 1086 O O . CYS A 180 ? 0.3928 0.5153 0.3855 -0.1679 -0.1380 0.1522 226 CYS A O 1087 C CB . CYS A 180 ? 0.3766 0.4913 0.4047 -0.1425 -0.1600 0.1454 226 CYS A CB 1088 S SG . CYS A 180 ? 0.3706 0.4984 0.4108 -0.1346 -0.1613 0.1366 226 CYS A SG 1089 N N . CYS A 181 ? 0.4126 0.5136 0.4136 -0.1626 -0.1614 0.1643 227 CYS A N 1090 C CA . CYS A 181 ? 0.4302 0.5228 0.4215 -0.1717 -0.1628 0.1738 227 CYS A CA 1091 C C . CYS A 181 ? 0.4603 0.5629 0.4324 -0.1853 -0.1577 0.1796 227 CYS A C 1092 O O . CYS A 181 ? 0.4812 0.5846 0.4457 -0.1935 -0.1524 0.1835 227 CYS A O 1093 C CB . CYS A 181 ? 0.4082 0.4986 0.4072 -0.1688 -0.1539 0.1680 227 CYS A CB 1094 S SG . CYS A 181 ? 0.4113 0.4918 0.4315 -0.1532 -0.1574 0.1595 227 CYS A SG 1095 N N . ARG A 182 ? 0.4617 0.5737 0.4258 -0.1881 -0.1587 0.1796 228 ARG A N 1096 C CA . ARG A 182 ? 0.4732 0.5977 0.4193 -0.1999 -0.1519 0.1823 228 ARG A CA 1097 C C . ARG A 182 ? 0.5128 0.6367 0.4464 -0.2063 -0.1631 0.1919 228 ARG A C 1098 O O . ARG A 182 ? 0.5273 0.6405 0.4683 -0.2004 -0.1747 0.1950 228 ARG A O 1099 C CB . ARG A 182 ? 0.4497 0.5898 0.3964 -0.1972 -0.1376 0.1689 228 ARG A CB 1100 C CG . ARG A 182 ? 0.4352 0.5774 0.3948 -0.1865 -0.1381 0.1594 228 ARG A CG 1101 C CD . ARG A 182 ? 0.4356 0.5895 0.3967 -0.1841 -0.1239 0.1466 228 ARG A CD 1102 N NE . ARG A 182 ? 0.4988 0.6640 0.4465 -0.1902 -0.1215 0.1447 228 ARG A NE 1103 C CZ . ARG A 182 ? 0.5356 0.7108 0.4702 -0.1971 -0.1123 0.1420 228 ARG A CZ 1104 N NH1 . ARG A 182 ? 0.5333 0.7101 0.4669 -0.1989 -0.1040 0.1408 228 ARG A NH1 1105 N NH2 . ARG A 182 ? 0.5627 0.7474 0.4854 -0.2018 -0.1116 0.1397 228 ARG A NH2 1106 N N . ARG A 183 ? 0.5407 0.6753 0.4578 -0.2170 -0.1568 0.1940 229 ARG A N 1107 C CA . ARG A 183 ? 0.5857 0.7200 0.4934 -0.2219 -0.1622 0.1987 229 ARG A CA 1108 C C . ARG A 183 ? 0.5518 0.6906 0.4655 -0.2136 -0.1645 0.1913 229 ARG A C 1109 O O . ARG A 183 ? 0.5200 0.6706 0.4368 -0.2098 -0.1563 0.1807 229 ARG A O 1110 C CB . ARG A 183 ? 0.6613 0.8097 0.5524 -0.2339 -0.1528 0.1989 229 ARG A CB 1111 C CG . ARG A 183 ? 0.7557 0.9046 0.6363 -0.2400 -0.1584 0.2041 229 ARG A CG 1112 C CD . ARG A 183 ? 0.8083 0.9724 0.6818 -0.2397 -0.1515 0.1950 229 ARG A CD 1113 N NE . ARG A 183 ? 0.8478 1.0279 0.7083 -0.2489 -0.1402 0.1916 229 ARG A NE 1114 C CZ . ARG A 183 ? 0.8953 1.0818 0.7427 -0.2580 -0.1405 0.1951 229 ARG A CZ 1115 N NH1 . ARG A 183 ? 0.9234 1.1003 0.7680 -0.2595 -0.1518 0.2031 229 ARG A NH1 1116 N NH2 . ARG A 183 ? 0.9174 1.1204 0.7553 -0.2647 -0.1296 0.1899 229 ARG A NH2 1117 N N . GLY A 184 ? 0.5537 0.6829 0.4696 -0.2110 -0.1760 0.1965 230 GLY A N 1118 C CA . GLY A 184 ? 0.5313 0.6643 0.4554 -0.2026 -0.1795 0.1899 230 GLY A CA 1119 C C . GLY A 184 ? 0.5212 0.6479 0.4661 -0.1895 -0.1848 0.1850 230 GLY A C 1120 O O . GLY A 184 ? 0.5210 0.6509 0.4750 -0.1820 -0.1887 0.1798 230 GLY A O 1121 N N . SER A 185 ? 0.5108 0.6298 0.4639 -0.1864 -0.1847 0.1860 231 SER A N 1122 C CA . SER A 185 ? 0.4874 0.5998 0.4606 -0.1736 -0.1903 0.1813 231 SER A CA 1123 C C . SER A 185 ? 0.5230 0.6199 0.5018 -0.1682 -0.2050 0.1879 231 SER A C 1124 O O . SER A 185 ? 0.5336 0.6283 0.5295 -0.1561 -0.2105 0.1823 231 SER A O 1125 C CB . SER A 185 ? 0.4544 0.5626 0.4341 -0.1722 -0.1863 0.1801 231 SER A CB 1126 O OG . SER A 185 ? 0.4252 0.5456 0.4042 -0.1733 -0.1702 0.1703 231 SER A OG 1127 N N . GLY A 186 ? 0.5421 0.6286 0.5076 -0.1766 -0.2115 0.1990 232 GLY A N 1128 C CA . GLY A 186 ? 0.4692 0.5392 0.4396 -0.1716 -0.2261 0.2052 232 GLY A CA 1129 C C . GLY A 186 ? 0.6033 0.6555 0.5822 -0.1673 -0.2326 0.2085 232 GLY A C 1130 O O . GLY A 186 ? 0.4630 0.5153 0.4423 -0.1699 -0.2259 0.2075 232 GLY A O 1131 N N . LEU A 187 ? 0.6001 0.6362 0.5858 -0.1604 -0.2467 0.2120 233 LEU A N 1132 C CA . LEU A 187 ? 0.5779 0.5935 0.5702 -0.1566 -0.2553 0.2156 233 LEU A CA 1133 C C . LEU A 187 ? 0.5455 0.5604 0.5594 -0.1395 -0.2582 0.2049 233 LEU A C 1134 O O . LEU A 187 ? 0.5311 0.5571 0.5556 -0.1298 -0.2589 0.1970 233 LEU A O 1135 C CB . LEU A 187 ? 0.5969 0.5932 0.5827 -0.1597 -0.2697 0.2257 233 LEU A CB 1136 C CG . LEU A 187 ? 0.5998 0.5936 0.5648 -0.1775 -0.2690 0.2376 233 LEU A CG 1137 C CD1 . LEU A 187 ? 0.6187 0.5891 0.5799 -0.1802 -0.2845 0.2475 233 LEU A CD1 1138 C CD2 . LEU A 187 ? 0.5830 0.5830 0.5400 -0.1888 -0.2571 0.2394 233 LEU A CD2 1139 N N . PRO A 188 ? 0.5375 0.5408 0.5589 -0.1357 -0.2596 0.2038 234 PRO A N 1140 C CA . PRO A 188 ? 0.5249 0.5264 0.5673 -0.1187 -0.2636 0.1931 234 PRO A CA 1141 C C . PRO A 188 ? 0.5593 0.5446 0.6084 -0.1095 -0.2792 0.1945 234 PRO A C 1142 O O . PRO A 188 ? 0.5748 0.5462 0.6116 -0.1175 -0.2875 0.2050 234 PRO A O 1143 C CB . PRO A 188 ? 0.5060 0.4979 0.5504 -0.1200 -0.2607 0.1931 234 PRO A CB 1144 C CG . PRO A 188 ? 0.5242 0.5013 0.5507 -0.1353 -0.2642 0.2068 234 PRO A CG 1145 C CD . PRO A 188 ? 0.5331 0.5233 0.5443 -0.1466 -0.2590 0.2123 234 PRO A CD 1146 N N . PRO A 189 ? 0.5685 0.5556 0.6368 -0.0931 -0.2834 0.1838 235 PRO A N 1147 C CA . PRO A 189 ? 0.5845 0.5535 0.6600 -0.0831 -0.2988 0.1842 235 PRO A CA 1148 C C . PRO A 189 ? 0.6083 0.5504 0.6788 -0.0869 -0.3067 0.1910 235 PRO A C 1149 O O . PRO A 189 ? 0.6014 0.5410 0.6677 -0.0936 -0.2999 0.1927 235 PRO A O 1150 C CB . PRO A 189 ? 0.5643 0.5455 0.6622 -0.0649 -0.2984 0.1693 235 PRO A CB 1151 C CG . PRO A 189 ? 0.5331 0.5407 0.6343 -0.0672 -0.2824 0.1620 235 PRO A CG 1152 C CD . PRO A 189 ? 0.5296 0.5354 0.6135 -0.0834 -0.2739 0.1707 235 PRO A CD 1153 N N . ALA A 190 ? 0.6430 0.5647 0.7142 -0.0825 -0.3219 0.1947 236 ALA A N 1154 C CA . ALA A 190 ? 0.6683 0.5624 0.7357 -0.0858 -0.3312 0.2005 236 ALA A CA 1155 C C . ALA A 190 ? 0.6643 0.5536 0.7465 -0.0742 -0.3301 0.1899 236 ALA A C 1156 O O . ALA A 190 ? 0.6746 0.5440 0.7531 -0.0788 -0.3346 0.1938 236 ALA A O 1157 C CB . ALA A 190 ? 0.6222 0.4957 0.6887 -0.0821 -0.3484 0.2051 236 ALA A CB 1158 N N . SER A 191 ? 0.6556 0.5637 0.7544 -0.0598 -0.3241 0.1763 237 SER A N 1159 C CA . SER A 191 ? 0.6627 0.5688 0.7765 -0.0473 -0.3228 0.1646 237 SER A CA 1160 C C . SER A 191 ? 0.6515 0.5665 0.7624 -0.0547 -0.3096 0.1640 237 SER A C 1161 O O . SER A 191 ? 0.6378 0.5438 0.7561 -0.0488 -0.3101 0.1580 237 SER A O 1162 C CB . SER A 191 ? 0.6612 0.5867 0.7944 -0.0295 -0.3212 0.1498 237 SER A CB 1163 O OG . SER A 191 ? 0.6477 0.6015 0.7812 -0.0331 -0.3087 0.1476 237 SER A OG 1164 N N . ARG A 192 ? 0.6635 0.5960 0.7640 -0.0669 -0.2980 0.1691 238 ARG A N 1165 C CA . ARG A 192 ? 0.6672 0.6098 0.7636 -0.0750 -0.2852 0.1691 238 ARG A CA 1166 C C . ARG A 192 ? 0.6512 0.5862 0.7269 -0.0944 -0.2832 0.1836 238 ARG A C 1167 O O . ARG A 192 ? 0.6663 0.5974 0.7305 -0.1027 -0.2878 0.1928 238 ARG A O 1168 C CB . ARG A 192 ? 0.6903 0.6630 0.7930 -0.0726 -0.2716 0.1606 238 ARG A CB 1169 C CG . ARG A 192 ? 0.7530 0.7384 0.8747 -0.0555 -0.2734 0.1474 238 ARG A CG 1170 C CD . ARG A 192 ? 0.8020 0.8152 0.9267 -0.0562 -0.2632 0.1423 238 ARG A CD 1171 N NE . ARG A 192 ? 0.8759 0.9005 1.0181 -0.0411 -0.2668 0.1314 238 ARG A NE 1172 C CZ . ARG A 192 ? 0.8582 0.9051 1.0051 -0.0399 -0.2616 0.1268 238 ARG A CZ 1173 N NH1 . ARG A 192 ? 0.8503 0.9089 0.9850 -0.0527 -0.2526 0.1316 238 ARG A NH1 1174 N NH2 . ARG A 192 ? 0.8533 0.9110 1.0169 -0.0260 -0.2654 0.1168 238 ARG A NH2 1175 N N . PRO A 193 ? 0.6094 0.5432 0.6805 -0.1020 -0.2765 0.1858 239 PRO A N 1176 C CA . PRO A 193 ? 0.6018 0.5333 0.6541 -0.1209 -0.2725 0.1986 239 PRO A CA 1177 C C . PRO A 193 ? 0.5804 0.5375 0.6242 -0.1291 -0.2587 0.1989 239 PRO A C 1178 O O . PRO A 193 ? 0.5659 0.5423 0.6189 -0.1215 -0.2506 0.1890 239 PRO A O 1179 C CB . PRO A 193 ? 0.5789 0.5007 0.6320 -0.1239 -0.2706 0.1988 239 PRO A CB 1180 C CG . PRO A 193 ? 0.5714 0.4858 0.6434 -0.1058 -0.2762 0.1866 239 PRO A CG 1181 C CD . PRO A 193 ? 0.5739 0.5057 0.6570 -0.0934 -0.2740 0.1769 239 PRO A CD 1182 N N . GLY A 194 ? 0.5812 0.5387 0.6073 -0.1453 -0.2561 0.2099 240 GLY A N 1183 C CA . GLY A 194 ? 0.4673 0.4475 0.4829 -0.1545 -0.2429 0.2105 240 GLY A CA 1184 C C . GLY A 194 ? 0.5007 0.4922 0.5169 -0.1577 -0.2290 0.2055 240 GLY A C 1185 O O . GLY A 194 ? 0.4433 0.4248 0.4676 -0.1534 -0.2287 0.2017 240 GLY A O 1186 N N . ALA A 195 ? 0.4830 0.4948 0.4910 -0.1645 -0.2146 0.2027 241 ALA A N 1187 C CA . ALA A 195 ? 0.4577 0.4812 0.4670 -0.1665 -0.1979 0.1948 241 ALA A CA 1188 C C . ALA A 195 ? 0.4628 0.4761 0.4654 -0.1767 -0.1985 0.2028 241 ALA A C 1189 O O . ALA A 195 ? 0.4817 0.4896 0.4701 -0.1897 -0.2047 0.2160 241 ALA A O 1190 C CB . ALA A 195 ? 0.4410 0.4863 0.4406 -0.1730 -0.1844 0.1916 241 ALA A CB 1191 N N . GLY A 196 ? 0.4515 0.4630 0.4641 -0.1714 -0.1920 0.1949 242 GLY A N 1192 C CA . GLY A 196 ? 0.4650 0.4685 0.4729 -0.1809 -0.1919 0.2012 242 GLY A CA 1193 C C . GLY A 196 ? 0.4625 0.4818 0.4557 -0.1961 -0.1814 0.2068 242 GLY A C 1194 O O . GLY A 196 ? 0.4490 0.4871 0.4370 -0.1976 -0.1711 0.2024 242 GLY A O 1195 N N . TYR A 197 ? 0.4688 0.4806 0.4552 -0.2080 -0.1844 0.2164 243 TYR A N 1196 C CA . TYR A 197 ? 0.4684 0.4988 0.4422 -0.2203 -0.1746 0.2183 243 TYR A CA 1197 C C . TYR A 197 ? 0.4300 0.4809 0.4068 -0.2179 -0.1566 0.2072 243 TYR A C 1198 O O . TYR A 197 ? 0.4191 0.4897 0.3868 -0.2220 -0.1468 0.2041 243 TYR A O 1199 C CB . TYR A 197 ? 0.4974 0.5199 0.4670 -0.2280 -0.1805 0.2236 243 TYR A CB 1200 C CG . TYR A 197 ? 0.5333 0.5759 0.4899 -0.2389 -0.1718 0.2245 243 TYR A CG 1201 C CD1 . TYR A 197 ? 0.5594 0.6086 0.5040 -0.2475 -0.1750 0.2305 243 TYR A CD1 1202 C CD2 . TYR A 197 ? 0.5390 0.5942 0.4958 -0.2403 -0.1605 0.2188 243 TYR A CD2 1203 C CE1 . TYR A 197 ? 0.5755 0.6439 0.5085 -0.2575 -0.1672 0.2309 243 TYR A CE1 1204 C CE2 . TYR A 197 ? 0.5552 0.6293 0.5006 -0.2496 -0.1529 0.2193 243 TYR A CE2 1205 C CZ . TYR A 197 ? 0.5731 0.6541 0.5067 -0.2583 -0.1562 0.2252 243 TYR A CZ 1206 O OH . TYR A 197 ? 0.5837 0.6845 0.5066 -0.2676 -0.1487 0.2252 243 TYR A OH 1207 N N . TRP A 198 ? 0.4057 0.4525 0.3957 -0.2107 -0.1526 0.1998 244 TRP A N 1208 C CA . TRP A 198 ? 0.3981 0.4635 0.3920 -0.2069 -0.1364 0.1879 244 TRP A CA 1209 C C . TRP A 198 ? 0.3829 0.4561 0.3845 -0.1946 -0.1298 0.1758 244 TRP A C 1210 O O . TRP A 198 ? 0.3711 0.4593 0.3743 -0.1921 -0.1169 0.1666 244 TRP A O 1211 C CB . TRP A 198 ? 0.3846 0.4438 0.3871 -0.2032 -0.1344 0.1832 244 TRP A CB 1212 C CG . TRP A 198 ? 0.4101 0.4649 0.4040 -0.2114 -0.1392 0.1907 244 TRP A CG 1213 C CD1 . TRP A 198 ? 0.4336 0.4677 0.4293 -0.2134 -0.1528 0.1982 244 TRP A CD1 1214 C CD2 . TRP A 198 ? 0.4259 0.4978 0.4083 -0.2192 -0.1312 0.1911 244 TRP A CD2 1215 N NE1 . TRP A 198 ? 0.4598 0.4976 0.4456 -0.2229 -0.1535 0.2035 244 TRP A NE1 1216 C CE2 . TRP A 198 ? 0.4582 0.5199 0.4362 -0.2267 -0.1402 0.1994 244 TRP A CE2 1217 C CE3 . TRP A 198 ? 0.4183 0.5132 0.3943 -0.2206 -0.1178 0.1848 244 TRP A CE3 1218 C CZ2 . TRP A 198 ? 0.4707 0.5461 0.4387 -0.2361 -0.1357 0.2019 244 TRP A CZ2 1219 C CZ3 . TRP A 198 ? 0.4325 0.5405 0.3989 -0.2291 -0.1135 0.1867 244 TRP A CZ3 1220 C CH2 . TRP A 198 ? 0.4536 0.5526 0.4163 -0.2370 -0.1222 0.1953 244 TRP A CH2 1221 N N . GLY A 199 ? 0.3544 0.4182 0.3603 -0.1864 -0.1385 0.1753 245 GLY A N 1222 C CA . GLY A 199 ? 0.3365 0.4068 0.3512 -0.1740 -0.1332 0.1634 245 GLY A CA 1223 C C . GLY A 199 ? 0.4208 0.4762 0.4468 -0.1628 -0.1445 0.1617 245 GLY A C 1224 O O . GLY A 199 ? 0.4354 0.4737 0.4632 -0.1633 -0.1563 0.1685 245 GLY A O 1225 N N . GLU A 200 ? 0.4080 0.4704 0.4418 -0.1525 -0.1409 0.1521 246 GLU A N 1226 C CA . GLU A 200 ? 0.4235 0.4764 0.4691 -0.1408 -0.1503 0.1487 246 GLU A CA 1227 C C . GLU A 200 ? 0.3872 0.4484 0.4448 -0.1295 -0.1414 0.1351 246 GLU A C 1228 O O . GLU A 200 ? 0.3764 0.4515 0.4318 -0.1306 -0.1293 0.1291 246 GLU A O 1229 C CB . GLU A 200 ? 0.4606 0.5146 0.5031 -0.1408 -0.1590 0.1534 246 GLU A CB 1230 C CG . GLU A 200 ? 0.5019 0.5424 0.5551 -0.1308 -0.1732 0.1537 246 GLU A CG 1231 C CD . GLU A 200 ? 0.5305 0.5509 0.5841 -0.1323 -0.1833 0.1603 246 GLU A CD 1232 O OE1 . GLU A 200 ? 0.5391 0.5539 0.6026 -0.1249 -0.1816 0.1531 246 GLU A OE1 1233 O OE2 . GLU A 200 ? 0.5466 0.5566 0.5897 -0.1417 -0.1931 0.1728 246 GLU A OE2 1234 N N . TYR A 201 ? 0.3736 0.4258 0.4437 -0.1186 -0.1481 0.1304 247 TYR A N 1235 C CA . TYR A 201 ? 0.3478 0.4075 0.4300 -0.1074 -0.1415 0.1180 247 TYR A CA 1236 C C . TYR A 201 ? 0.3456 0.4169 0.4320 -0.1026 -0.1414 0.1140 247 TYR A C 1237 O O . TYR A 201 ? 0.3470 0.4181 0.4450 -0.0925 -0.1469 0.1088 247 TYR A O 1238 C CB . TYR A 201 ? 0.3444 0.3912 0.4378 -0.0976 -0.1493 0.1143 247 TYR A CB 1239 C CG . TYR A 201 ? 0.3530 0.3898 0.4448 -0.1006 -0.1480 0.1152 247 TYR A CG 1240 C CD1 . TYR A 201 ? 0.3484 0.3941 0.4379 -0.1034 -0.1350 0.1105 247 TYR A CD1 1241 C CD2 . TYR A 201 ? 0.3724 0.3905 0.4657 -0.1003 -0.1606 0.1206 247 TYR A CD2 1242 C CE1 . TYR A 201 ? 0.3668 0.4046 0.4558 -0.1061 -0.1342 0.1112 247 TYR A CE1 1243 C CE2 . TYR A 201 ? 0.3974 0.4063 0.4895 -0.1037 -0.1599 0.1215 247 TYR A CE2 1244 C CZ . TYR A 201 ? 0.3969 0.4166 0.4872 -0.1066 -0.1465 0.1166 247 TYR A CZ 1245 O OH . TYR A 201 ? 0.4128 0.4246 0.5027 -0.1099 -0.1463 0.1172 247 TYR A OH 1246 N N . SER A 202 ? 0.3299 0.4123 0.4070 -0.1101 -0.1352 0.1159 248 SER A N 1247 C CA . SER A 202 ? 0.3191 0.4117 0.3989 -0.1074 -0.1366 0.1135 248 SER A CA 1248 C C . SER A 202 ? 0.3148 0.4211 0.3865 -0.1135 -0.1246 0.1103 248 SER A C 1249 O O . SER A 202 ? 0.3036 0.4124 0.3711 -0.1166 -0.1146 0.1074 248 SER A O 1250 C CB . SER A 202 ? 0.3242 0.4099 0.3998 -0.1102 -0.1503 0.1231 248 SER A CB 1251 O OG . SER A 202 ? 0.3245 0.4210 0.4032 -0.1078 -0.1521 0.1207 248 SER A OG 1252 N N . LYS A 203 ? 0.3138 0.4289 0.3838 -0.1148 -0.1263 0.1102 249 LYS A N 1253 C CA . LYS A 203 ? 0.3071 0.4337 0.3685 -0.1209 -0.1167 0.1072 249 LYS A CA 1254 C C . LYS A 203 ? 0.3170 0.4424 0.3624 -0.1318 -0.1176 0.1157 249 LYS A C 1255 O O . LYS A 203 ? 0.3353 0.4652 0.3730 -0.1368 -0.1215 0.1196 249 LYS A O 1256 C CB . LYS A 203 ? 0.2929 0.4299 0.3596 -0.1180 -0.1180 0.1029 249 LYS A CB 1257 C CG . LYS A 203 ? 0.3044 0.4392 0.3745 -0.1160 -0.1315 0.1086 249 LYS A CG 1258 C CD . LYS A 203 ? 0.2951 0.4427 0.3697 -0.1148 -0.1322 0.1043 249 LYS A CD 1259 C CE . LYS A 203 ? 0.3035 0.4498 0.3835 -0.1114 -0.1465 0.1093 249 LYS A CE 1260 N NZ . LYS A 203 ? 0.2778 0.4379 0.3612 -0.1117 -0.1473 0.1057 249 LYS A NZ 1261 N N . CYS A 204 ? 0.3180 0.4380 0.3583 -0.1358 -0.1141 0.1185 250 CYS A N 1262 C CA . CYS A 204 ? 0.3394 0.4593 0.3651 -0.1467 -0.1144 0.1268 250 CYS A CA 1263 C C . CYS A 204 ? 0.3366 0.4612 0.3581 -0.1500 -0.1027 0.1229 250 CYS A C 1264 O O . CYS A 204 ? 0.3304 0.4528 0.3605 -0.1440 -0.0976 0.1168 250 CYS A O 1265 C CB . CYS A 204 ? 0.3494 0.4560 0.3735 -0.1496 -0.1265 0.1377 250 CYS A CB 1266 S SG . CYS A 204 ? 0.3784 0.4780 0.4078 -0.1447 -0.1424 0.1428 250 CYS A SG 1267 N N . ASP A 205 ? 0.3346 0.4668 0.3426 -0.1594 -0.0984 0.1262 251 ASP A N 1268 C CA . ASP A 205 ? 0.3197 0.4586 0.3233 -0.1628 -0.0878 0.1225 251 ASP A CA 1269 C C . ASP A 205 ? 0.3235 0.4594 0.3202 -0.1717 -0.0908 0.1323 251 ASP A C 1270 O O . ASP A 205 ? 0.3078 0.4324 0.3057 -0.1733 -0.1015 0.1410 251 ASP A O 1271 C CB . ASP A 205 ? 0.3256 0.4773 0.3205 -0.1655 -0.0796 0.1164 251 ASP A CB 1272 C CG . ASP A 205 ? 0.3376 0.4911 0.3407 -0.1570 -0.0740 0.1054 251 ASP A CG 1273 O OD1 . ASP A 205 ? 0.3139 0.4626 0.3271 -0.1505 -0.0712 0.1011 251 ASP A OD1 1274 O OD2 . ASP A 205 ? 0.3583 0.5176 0.3576 -0.1572 -0.0727 0.1014 251 ASP A OD2 1275 N N . LEU A 206 ? 0.3390 0.4851 0.3289 -0.1776 -0.0817 0.1306 252 LEU A N 1276 C CA . LEU A 206 ? 0.3536 0.4981 0.3402 -0.1856 -0.0831 0.1385 252 LEU A CA 1277 C C . LEU A 206 ? 0.3721 0.5261 0.3430 -0.1984 -0.0834 0.1468 252 LEU A C 1278 O O . LEU A 206 ? 0.3766 0.5447 0.3391 -0.2010 -0.0761 0.1421 252 LEU A O 1279 C CB . LEU A 206 ? 0.3407 0.4909 0.3328 -0.1833 -0.0733 0.1314 252 LEU A CB 1280 C CG . LEU A 206 ? 0.3402 0.4796 0.3467 -0.1725 -0.0742 0.1256 252 LEU A CG 1281 C CD1 . LEU A 206 ? 0.2642 0.4084 0.2750 -0.1718 -0.0663 0.1206 252 LEU A CD1 1282 C CD2 . LEU A 206 ? 0.2830 0.4057 0.2947 -0.1716 -0.0866 0.1334 252 LEU A CD2 1283 N N . PRO A 207 ? 0.3833 0.5296 0.3496 -0.2069 -0.0920 0.1592 253 PRO A N 1284 C CA . PRO A 207 ? 0.4187 0.5744 0.3694 -0.2167 -0.0911 0.1644 253 PRO A CA 1285 C C . PRO A 207 ? 0.4419 0.6104 0.3918 -0.2158 -0.0799 0.1564 253 PRO A C 1286 O O . PRO A 207 ? 0.4517 0.6160 0.4119 -0.2099 -0.0766 0.1516 253 PRO A O 1287 C CB . PRO A 207 ? 0.4153 0.5555 0.3641 -0.2222 -0.1044 0.1771 253 PRO A CB 1288 C CG . PRO A 207 ? 0.3992 0.5229 0.3636 -0.2148 -0.1090 0.1767 253 PRO A CG 1289 C CD . PRO A 207 ? 0.3808 0.5073 0.3549 -0.2040 -0.1040 0.1659 253 PRO A CD 1290 N N . LEU A 208 ? 0.4510 0.6359 0.3889 -0.2220 -0.0744 0.1547 254 LEU A N 1291 C CA . LEU A 208 ? 0.4370 0.6364 0.3752 -0.2209 -0.0635 0.1463 254 LEU A CA 1292 C C . LEU A 208 ? 0.4231 0.6163 0.3661 -0.2224 -0.0659 0.1503 254 LEU A C 1293 O O . LEU A 208 ? 0.3912 0.5903 0.3407 -0.2180 -0.0582 0.1429 254 LEU A O 1294 C CB . LEU A 208 ? 0.4339 0.6527 0.3590 -0.2281 -0.0584 0.1443 254 LEU A CB 1295 C CG . LEU A 208 ? 0.4163 0.6530 0.3421 -0.2265 -0.0468 0.1343 254 LEU A CG 1296 C CD1 . LEU A 208 ? 0.3894 0.6304 0.3224 -0.2166 -0.0378 0.1218 254 LEU A CD1 1297 C CD2 . LEU A 208 ? 0.4206 0.6761 0.3337 -0.2352 -0.0437 0.1341 254 LEU A CD2 1298 N N . ARG A 209 ? 0.4423 0.6229 0.3826 -0.2287 -0.0772 0.1619 255 ARG A N 1299 C CA . ARG A 209 ? 0.4516 0.6251 0.3957 -0.2312 -0.0806 0.1663 255 ARG A CA 1300 C C . ARG A 209 ? 0.4504 0.6122 0.4089 -0.2217 -0.0797 0.1615 255 ARG A C 1301 O O . ARG A 209 ? 0.4575 0.6193 0.4203 -0.2218 -0.0776 0.1603 255 ARG A O 1302 C CB . ARG A 209 ? 0.4575 0.6170 0.3961 -0.2395 -0.0945 0.1797 255 ARG A CB 1303 C CG . ARG A 209 ? 0.4517 0.5929 0.3946 -0.2357 -0.1047 0.1847 255 ARG A CG 1304 C CD . ARG A 209 ? 0.4771 0.6013 0.4172 -0.2425 -0.1196 0.1973 255 ARG A CD 1305 N NE . ARG A 209 ? 0.4868 0.5951 0.4302 -0.2390 -0.1301 0.2022 255 ARG A NE 1306 C CZ . ARG A 209 ? 0.5059 0.6151 0.4411 -0.2437 -0.1359 0.2077 255 ARG A CZ 1307 N NH1 . ARG A 209 ? 0.5171 0.6421 0.4398 -0.2526 -0.1320 0.2088 255 ARG A NH1 1308 N NH2 . ARG A 209 ? 0.5026 0.5970 0.4423 -0.2394 -0.1458 0.2118 255 ARG A NH2 1309 N N . THR A 210 ? 0.4261 0.5782 0.3924 -0.2140 -0.0815 0.1587 256 THR A N 1310 C CA . THR A 210 ? 0.4042 0.5464 0.3845 -0.2050 -0.0805 0.1533 256 THR A CA 1311 C C . THR A 210 ? 0.3720 0.5282 0.3568 -0.1988 -0.0675 0.1409 256 THR A C 1312 O O . THR A 210 ? 0.3520 0.5053 0.3455 -0.1944 -0.0649 0.1367 256 THR A O 1313 C CB . THR A 210 ? 0.4118 0.5409 0.4003 -0.1993 -0.0871 0.1539 256 THR A CB 1314 O OG1 . THR A 210 ? 0.4493 0.5664 0.4329 -0.2053 -0.0998 0.1656 256 THR A OG1 1315 C CG2 . THR A 210 ? 0.3977 0.5152 0.4007 -0.1914 -0.0886 0.1496 256 THR A CG2 1316 N N . LEU A 211 ? 0.3677 0.5388 0.3466 -0.1985 -0.0598 0.1350 257 LEU A N 1317 C CA . LEU A 211 ? 0.3549 0.5405 0.3363 -0.1939 -0.0482 0.1239 257 LEU A CA 1318 C C . LEU A 211 ? 0.3831 0.5787 0.3617 -0.1990 -0.0448 0.1246 257 LEU A C 1319 O O . LEU A 211 ? 0.3740 0.5738 0.3602 -0.1944 -0.0391 0.1180 257 LEU A O 1320 C CB . LEU A 211 ? 0.3559 0.5549 0.3300 -0.1941 -0.0421 0.1182 257 LEU A CB 1321 C CG . LEU A 211 ? 0.3493 0.5463 0.3297 -0.1860 -0.0387 0.1100 257 LEU A CG 1322 C CD1 . LEU A 211 ? 0.3449 0.5251 0.3375 -0.1796 -0.0442 0.1110 257 LEU A CD1 1323 C CD2 . LEU A 211 ? 0.3443 0.5454 0.3160 -0.1894 -0.0402 0.1112 257 LEU A CD2 1324 N N . GLU A 212 ? 0.4174 0.6176 0.3854 -0.2088 -0.0487 0.1326 258 GLU A N 1325 C CA . GLU A 212 ? 0.4367 0.6464 0.4026 -0.2148 -0.0466 0.1343 258 GLU A CA 1326 C C . GLU A 212 ? 0.4234 0.6191 0.3984 -0.2133 -0.0514 0.1375 258 GLU A C 1327 O O . GLU A 212 ? 0.4207 0.6242 0.4007 -0.2124 -0.0462 0.1332 258 GLU A O 1328 C CB . GLU A 212 ? 0.4882 0.7035 0.4410 -0.2265 -0.0516 0.1435 258 GLU A CB 1329 C CG . GLU A 212 ? 0.5377 0.7631 0.4881 -0.2342 -0.0503 0.1463 258 GLU A CG 1330 C CD . GLU A 212 ? 0.5933 0.8274 0.5305 -0.2464 -0.0542 0.1544 258 GLU A CD 1331 O OE1 . GLU A 212 ? 0.6186 0.8390 0.5504 -0.2511 -0.0645 0.1640 258 GLU A OE1 1332 O OE2 . GLU A 212 ? 0.6116 0.8667 0.5441 -0.2514 -0.0473 0.1509 258 GLU A OE2 1333 N N . SER A 213 ? 0.4079 0.5833 0.3857 -0.2129 -0.0617 0.1448 259 SER A N 1334 C CA . SER A 213 ? 0.3980 0.5587 0.3845 -0.2112 -0.0671 0.1473 259 SER A CA 1335 C C . SER A 213 ? 0.3678 0.5298 0.3664 -0.2011 -0.0599 0.1366 259 SER A C 1336 O O . SER A 213 ? 0.3095 0.4706 0.3141 -0.2007 -0.0591 0.1352 259 SER A O 1337 C CB . SER A 213 ? 0.4134 0.5521 0.4014 -0.2114 -0.0798 0.1557 259 SER A CB 1338 O OG . SER A 213 ? 0.4181 0.5414 0.4159 -0.2080 -0.0851 0.1562 259 SER A OG 1339 N N . LEU A 214 ? 0.3328 0.4974 0.3348 -0.1934 -0.0550 0.1291 260 LEU A N 1340 C CA . LEU A 214 ? 0.3053 0.4703 0.3184 -0.1840 -0.0491 0.1192 260 LEU A CA 1341 C C . LEU A 214 ? 0.3018 0.4833 0.3160 -0.1840 -0.0403 0.1128 260 LEU A C 1342 O O . LEU A 214 ? 0.2810 0.4605 0.3037 -0.1807 -0.0393 0.1095 260 LEU A O 1343 C CB . LEU A 214 ? 0.2769 0.4431 0.2917 -0.1771 -0.0456 0.1127 260 LEU A CB 1344 C CG . LEU A 214 ? 0.2472 0.4137 0.2724 -0.1673 -0.0400 0.1026 260 LEU A CG 1345 C CD1 . LEU A 214 ? 0.2393 0.4000 0.2668 -0.1622 -0.0413 0.1000 260 LEU A CD1 1346 C CD2 . LEU A 214 ? 0.2395 0.4230 0.2651 -0.1648 -0.0298 0.0936 260 LEU A CD2 1347 N N . LEU A 215 ? 0.3058 0.5048 0.3120 -0.1877 -0.0342 0.1107 261 LEU A N 1348 C CA . LEU A 215 ? 0.2953 0.5126 0.3034 -0.1871 -0.0256 0.1035 261 LEU A CA 1349 C C . LEU A 215 ? 0.3052 0.5264 0.3126 -0.1946 -0.0276 0.1090 261 LEU A C 1350 O O . LEU A 215 ? 0.3045 0.5367 0.3179 -0.1929 -0.0223 0.1035 261 LEU A O 1351 C CB . LEU A 215 ? 0.2860 0.5214 0.2859 -0.1886 -0.0188 0.0988 261 LEU A CB 1352 C CG . LEU A 215 ? 0.2742 0.5071 0.2743 -0.1819 -0.0164 0.0928 261 LEU A CG 1353 C CD1 . LEU A 215 ? 0.2726 0.5188 0.2610 -0.1868 -0.0136 0.0923 261 LEU A CD1 1354 C CD2 . LEU A 215 ? 0.2639 0.5019 0.2736 -0.1727 -0.0097 0.0816 261 LEU A CD2 1355 N N . SER A 216 ? 0.3187 0.5311 0.3190 -0.2030 -0.0357 0.1198 262 SER A N 1356 C CA . SER A 216 ? 0.3372 0.5515 0.3359 -0.2116 -0.0389 0.1263 262 SER A CA 1357 C C . SER A 216 ? 0.3448 0.5441 0.3537 -0.2087 -0.0437 0.1273 262 SER A C 1358 O O . SER A 216 ? 0.3763 0.5795 0.3866 -0.2141 -0.0444 0.1298 262 SER A O 1359 C CB . SER A 216 ? 0.3505 0.5592 0.3375 -0.2219 -0.0472 0.1380 262 SER A CB 1360 O OG . SER A 216 ? 0.3743 0.5850 0.3586 -0.2314 -0.0508 0.1450 262 SER A OG 1361 N N . GLY A 217 ? 0.3200 0.5032 0.3359 -0.2006 -0.0469 0.1249 263 GLY A N 1362 C CA . GLY A 217 ? 0.3006 0.4698 0.3262 -0.1972 -0.0514 0.1246 263 GLY A CA 1363 C C . GLY A 217 ? 0.2930 0.4682 0.3292 -0.1880 -0.0444 0.1137 263 GLY A C 1364 O O . GLY A 217 ? 0.3023 0.4655 0.3470 -0.1839 -0.0482 0.1121 263 GLY A O 1365 N N . LEU A 218 ? 0.2844 0.4781 0.3203 -0.1848 -0.0348 0.1059 264 LEU A N 1366 C CA . LEU A 218 ? 0.2792 0.4794 0.3246 -0.1759 -0.0285 0.0955 264 LEU A CA 1367 C C . LEU A 218 ? 0.3219 0.5278 0.3750 -0.1766 -0.0275 0.0932 264 LEU A C 1368 O O . LEU A 218 ? 0.3258 0.5337 0.3878 -0.1691 -0.0244 0.0855 264 LEU A O 1369 C CB . LEU A 218 ? 0.2645 0.4830 0.3070 -0.1729 -0.0196 0.0881 264 LEU A CB 1370 C CG . LEU A 218 ? 0.2739 0.4876 0.3124 -0.1687 -0.0189 0.0862 264 LEU A CG 1371 C CD1 . LEU A 218 ? 0.2738 0.5066 0.3084 -0.1672 -0.0106 0.0791 264 LEU A CD1 1372 C CD2 . LEU A 218 ? 0.2278 0.4279 0.2747 -0.1599 -0.0209 0.0820 264 LEU A CD2 1373 N N . GLY A 219 ? 0.3427 0.5518 0.3926 -0.1856 -0.0301 0.0997 265 GLY A N 1374 C CA . GLY A 219 ? 0.3213 0.5401 0.3780 -0.1875 -0.0282 0.0974 265 GLY A CA 1375 C C . GLY A 219 ? 0.3186 0.5259 0.3862 -0.1816 -0.0315 0.0938 265 GLY A C 1376 O O . GLY A 219 ? 0.2881 0.5061 0.3639 -0.1765 -0.0268 0.0860 265 GLY A O 1377 N N . PRO A 220 ? 0.3223 0.5079 0.3900 -0.1825 -0.0403 0.0993 266 PRO A N 1378 C CA . PRO A 220 ? 0.3321 0.5057 0.4093 -0.1764 -0.0441 0.0952 266 PRO A CA 1379 C C . PRO A 220 ? 0.3480 0.5264 0.4317 -0.1658 -0.0386 0.0853 266 PRO A C 1380 O O . PRO A 220 ? 0.3417 0.5221 0.4338 -0.1615 -0.0381 0.0798 266 PRO A O 1381 C CB . PRO A 220 ? 0.3268 0.4771 0.4014 -0.1775 -0.0540 0.1017 266 PRO A CB 1382 C CG . PRO A 220 ? 0.3318 0.4816 0.3962 -0.1871 -0.0571 0.1114 266 PRO A CG 1383 C CD . PRO A 220 ? 0.3194 0.4912 0.3784 -0.1892 -0.0480 0.1093 266 PRO A CD 1384 N N . ALA A 221 ? 0.3767 0.5570 0.4561 -0.1618 -0.0350 0.0833 267 ALA A N 1385 C CA . ALA A 221 ? 0.3941 0.5765 0.4784 -0.1522 -0.0309 0.0749 267 ALA A CA 1386 C C . ALA A 221 ? 0.4205 0.6236 0.5078 -0.1492 -0.0226 0.0675 267 ALA A C 1387 O O . ALA A 221 ? 0.4703 0.6757 0.5633 -0.1416 -0.0201 0.0603 267 ALA A O 1388 C CB . ALA A 221 ? 0.3918 0.5675 0.4707 -0.1496 -0.0310 0.0758 267 ALA A CB 1389 N N . GLY A 222 ? 0.4020 0.6206 0.4856 -0.1549 -0.0186 0.0688 268 GLY A N 1390 C CA . GLY A 222 ? 0.3673 0.6070 0.4546 -0.1516 -0.0111 0.0610 268 GLY A CA 1391 C C . GLY A 222 ? 0.3506 0.5977 0.4476 -0.1506 -0.0112 0.0576 268 GLY A C 1392 O O . GLY A 222 ? 0.3637 0.5977 0.4652 -0.1508 -0.0171 0.0599 268 GLY A O 1393 N N . PRO A 223 ? 0.3121 0.5810 0.4130 -0.1490 -0.0051 0.0514 269 PRO A N 1394 C CA . PRO A 223 ? 0.2912 0.5776 0.3880 -0.1475 0.0019 0.0466 269 PRO A CA 1395 C C . PRO A 223 ? 0.2646 0.5482 0.3625 -0.1383 0.0042 0.0397 269 PRO A C 1396 O O . PRO A 223 ? 0.2663 0.5386 0.3699 -0.1326 0.0010 0.0377 269 PRO A O 1397 C CB . PRO A 223 ? 0.2843 0.5933 0.3887 -0.1470 0.0061 0.0409 269 PRO A CB 1398 C CG . PRO A 223 ? 0.2887 0.5907 0.4034 -0.1431 0.0019 0.0391 269 PRO A CG 1399 C CD . PRO A 223 ? 0.2965 0.5745 0.4076 -0.1477 -0.0054 0.0477 269 PRO A CD 1400 N N . PHE A 224 ? 0.2361 0.5302 0.3285 -0.1371 0.0093 0.0360 270 PHE A N 1401 C CA . PHE A 224 ? 0.2198 0.5117 0.3126 -0.1293 0.0113 0.0295 270 PHE A CA 1402 C C . PHE A 224 ? 0.2143 0.5288 0.3115 -0.1235 0.0177 0.0187 270 PHE A C 1403 O O . PHE A 224 ? 0.2274 0.5597 0.3220 -0.1268 0.0219 0.0171 270 PHE A O 1404 C CB . PHE A 224 ? 0.2304 0.5123 0.3125 -0.1324 0.0107 0.0339 270 PHE A CB 1405 C CG . PHE A 224 ? 0.2526 0.5140 0.3304 -0.1377 0.0041 0.0440 270 PHE A CG 1406 C CD1 . PHE A 224 ? 0.2470 0.4905 0.3290 -0.1338 -0.0008 0.0452 270 PHE A CD1 1407 C CD2 . PHE A 224 ? 0.2639 0.5248 0.3338 -0.1465 0.0023 0.0520 270 PHE A CD2 1408 C CE1 . PHE A 224 ? 0.2565 0.4824 0.3357 -0.1377 -0.0072 0.0534 270 PHE A CE1 1409 C CE2 . PHE A 224 ? 0.2770 0.5193 0.3439 -0.1508 -0.0047 0.0609 270 PHE A CE2 1410 C CZ . PHE A 224 ? 0.2687 0.4934 0.3406 -0.1460 -0.0095 0.0612 270 PHE A CZ 1411 N N . ASP A 225 ? 0.2011 0.5158 0.3052 -0.1145 0.0180 0.0110 271 ASP A N 1412 C CA . ASP A 225 ? 0.2186 0.5484 0.3248 -0.1055 0.0228 -0.0006 271 ASP A CA 1413 C C . ASP A 225 ? 0.2256 0.5526 0.3213 -0.1033 0.0258 -0.0041 271 ASP A C 1414 O O . ASP A 225 ? 0.2285 0.5752 0.3237 -0.1017 0.0309 -0.0114 271 ASP A O 1415 C CB . ASP A 225 ? 0.2409 0.5600 0.3528 -0.0927 0.0199 -0.0077 271 ASP A CB 1416 C CG . ASP A 225 ? 0.2667 0.5914 0.3892 -0.0945 0.0170 -0.0056 271 ASP A CG 1417 O OD1 . ASP A 225 ? 0.2863 0.6361 0.4170 -0.0968 0.0200 -0.0088 271 ASP A OD1 1418 O OD2 . ASP A 225 ? 0.2728 0.5782 0.3956 -0.0940 0.0117 -0.0009 271 ASP A OD2 1419 N N . MET A 226 ? 0.2277 0.5316 0.3155 -0.1031 0.0225 0.0004 272 MET A N 1420 C CA . MET A 226 ? 0.2476 0.5474 0.3250 -0.1027 0.0244 -0.0015 272 MET A CA 1421 C C . MET A 226 ? 0.2323 0.5140 0.3031 -0.1094 0.0204 0.0086 272 MET A C 1422 O O . MET A 226 ? 0.2218 0.4912 0.2961 -0.1117 0.0159 0.0155 272 MET A O 1423 C CB . MET A 226 ? 0.2975 0.5858 0.3726 -0.0900 0.0242 -0.0115 272 MET A CB 1424 C CG . MET A 226 ? 0.3513 0.6553 0.4323 -0.0811 0.0272 -0.0231 272 MET A CG 1425 S SD . MET A 226 ? 0.3636 0.6582 0.4548 -0.0716 0.0229 -0.0259 272 MET A SD 1426 C CE . MET A 226 ? 0.3590 0.6807 0.4589 -0.0636 0.0269 -0.0387 272 MET A CE 1427 N N . VAL A 227 ? 0.2272 0.5073 0.2885 -0.1115 0.0217 0.0087 273 VAL A N 1428 C CA . VAL A 227 ? 0.2267 0.4901 0.2816 -0.1161 0.0177 0.0167 273 VAL A CA 1429 C C . VAL A 227 ? 0.2419 0.4922 0.2908 -0.1087 0.0175 0.0107 273 VAL A C 1430 O O . VAL A 227 ? 0.2490 0.5079 0.2936 -0.1053 0.0212 0.0027 273 VAL A O 1431 C CB . VAL A 227 ? 0.2368 0.5114 0.2852 -0.1281 0.0185 0.0243 273 VAL A CB 1432 C CG1 . VAL A 227 ? 0.1938 0.4510 0.2361 -0.1317 0.0135 0.0320 273 VAL A CG1 1433 C CG2 . VAL A 227 ? 0.2380 0.5229 0.2908 -0.1354 0.0181 0.0303 273 VAL A CG2 1434 N N . TYR A 228 ? 0.2478 0.4779 0.2962 -0.1062 0.0132 0.0140 274 TYR A N 1435 C CA . TYR A 228 ? 0.2467 0.4642 0.2887 -0.1021 0.0124 0.0105 274 TYR A CA 1436 C C . TYR A 228 ? 0.2212 0.4344 0.2574 -0.1097 0.0098 0.0184 274 TYR A C 1437 O O . TYR A 228 ? 0.2172 0.4241 0.2564 -0.1137 0.0061 0.0265 274 TYR A O 1438 C CB . TYR A 228 ? 0.2472 0.4470 0.2924 -0.0944 0.0097 0.0085 274 TYR A CB 1439 C CG . TYR A 228 ? 0.2393 0.4411 0.2897 -0.0863 0.0110 0.0012 274 TYR A CG 1440 C CD1 . TYR A 228 ? 0.2490 0.4680 0.3015 -0.0845 0.0146 -0.0051 274 TYR A CD1 1441 C CD2 . TYR A 228 ? 0.2329 0.4203 0.2863 -0.0803 0.0082 0.0005 274 TYR A CD2 1442 C CE1 . TYR A 228 ? 0.2460 0.4670 0.3042 -0.0763 0.0149 -0.0120 274 TYR A CE1 1443 C CE2 . TYR A 228 ? 0.2286 0.4168 0.2863 -0.0729 0.0084 -0.0055 274 TYR A CE2 1444 C CZ . TYR A 228 ? 0.2500 0.4545 0.3105 -0.0705 0.0114 -0.0118 274 TYR A CZ 1445 O OH . TYR A 228 ? 0.2704 0.4757 0.3359 -0.0623 0.0107 -0.0181 274 TYR A OH 1446 N N . TRP A 229 ? 0.2065 0.4230 0.2344 -0.1113 0.0113 0.0157 275 TRP A N 1447 C CA . TRP A 229 ? 0.2116 0.4271 0.2331 -0.1190 0.0088 0.0228 275 TRP A CA 1448 C C . TRP A 229 ? 0.2297 0.4339 0.2456 -0.1159 0.0073 0.0192 275 TRP A C 1449 O O . TRP A 229 ? 0.2344 0.4440 0.2434 -0.1153 0.0097 0.0130 275 TRP A O 1450 C CB . TRP A 229 ? 0.2193 0.4537 0.2352 -0.1263 0.0119 0.0239 275 TRP A CB 1451 C CG . TRP A 229 ? 0.2444 0.4790 0.2528 -0.1351 0.0088 0.0322 275 TRP A CG 1452 C CD1 . TRP A 229 ? 0.2365 0.4577 0.2455 -0.1376 0.0028 0.0404 275 TRP A CD1 1453 C CD2 . TRP A 229 ? 0.2577 0.5073 0.2565 -0.1421 0.0112 0.0328 275 TRP A CD2 1454 N NE1 . TRP A 229 ? 0.2454 0.4713 0.2460 -0.1457 0.0006 0.0465 275 TRP A NE1 1455 C CE2 . TRP A 229 ? 0.2609 0.5040 0.2544 -0.1490 0.0058 0.0422 275 TRP A CE2 1456 C CE3 . TRP A 229 ? 0.2654 0.5341 0.2595 -0.1429 0.0172 0.0257 275 TRP A CE3 1457 C CZ2 . TRP A 229 ? 0.2771 0.5313 0.2598 -0.1573 0.0060 0.0457 275 TRP A CZ2 1458 C CZ3 . TRP A 229 ? 0.2720 0.5530 0.2554 -0.1513 0.0182 0.0286 275 TRP A CZ3 1459 C CH2 . TRP A 229 ? 0.2733 0.5465 0.2505 -0.1587 0.0125 0.0390 275 TRP A CH2 1460 N N . THR A 230 ? 0.2294 0.4188 0.2483 -0.1142 0.0033 0.0228 276 THR A N 1461 C CA . THR A 230 ? 0.2460 0.4244 0.2616 -0.1105 0.0023 0.0184 276 THR A CA 1462 C C . THR A 230 ? 0.2703 0.4464 0.2807 -0.1158 -0.0010 0.0229 276 THR A C 1463 O O . THR A 230 ? 0.2678 0.4335 0.2795 -0.1144 -0.0037 0.0236 276 THR A O 1464 C CB . THR A 230 ? 0.2333 0.3985 0.2552 -0.1047 0.0008 0.0179 276 THR A CB 1465 O OG1 . THR A 230 ? 0.2282 0.3897 0.2559 -0.1069 -0.0026 0.0256 276 THR A OG1 1466 C CG2 . THR A 230 ? 0.2142 0.3807 0.2399 -0.0985 0.0035 0.0121 276 THR A CG2 1467 N N . GLY A 231 ? 0.2906 0.4770 0.2949 -0.1222 -0.0010 0.0259 277 GLY A N 1468 C CA . GLY A 231 ? 0.3085 0.4943 0.3054 -0.1260 -0.0033 0.0266 277 GLY A CA 1469 C C . GLY A 231 ? 0.3206 0.5042 0.3183 -0.1315 -0.0089 0.0365 277 GLY A C 1470 O O . GLY A 231 ? 0.2997 0.4798 0.3043 -0.1318 -0.0116 0.0428 277 GLY A O 1471 N N . ASP A 232 ? 0.3505 0.5355 0.3409 -0.1355 -0.0113 0.0373 278 ASP A N 1472 C CA . ASP A 232 ? 0.3608 0.5443 0.3506 -0.1405 -0.0175 0.0459 278 ASP A CA 1473 C C . ASP A 232 ? 0.3380 0.5301 0.3235 -0.1475 -0.0188 0.0536 278 ASP A C 1474 O O . ASP A 232 ? 0.3219 0.5107 0.3132 -0.1487 -0.0220 0.0608 278 ASP A O 1475 C CB . ASP A 232 ? 0.3895 0.5624 0.3897 -0.1368 -0.0217 0.0496 278 ASP A CB 1476 C CG . ASP A 232 ? 0.4188 0.5856 0.4204 -0.1343 -0.0233 0.0458 278 ASP A CG 1477 O OD1 . ASP A 232 ? 0.4273 0.5956 0.4221 -0.1347 -0.0210 0.0396 278 ASP A OD1 1478 O OD2 . ASP A 232 ? 0.4450 0.6063 0.4546 -0.1320 -0.0269 0.0488 278 ASP A OD2 1479 N N . ILE A 233 ? 0.3309 0.5340 0.3056 -0.1525 -0.0164 0.0520 279 ILE A N 1480 C CA . ILE A 233 ? 0.3213 0.5348 0.2897 -0.1608 -0.0170 0.0594 279 ILE A CA 1481 C C . ILE A 233 ? 0.3295 0.5410 0.2915 -0.1671 -0.0243 0.0677 279 ILE A C 1482 O O . ILE A 233 ? 0.3338 0.5426 0.2969 -0.1719 -0.0296 0.0780 279 ILE A O 1483 C CB . ILE A 233 ? 0.3160 0.5452 0.2760 -0.1629 -0.0098 0.0527 279 ILE A CB 1484 C CG1 . ILE A 233 ? 0.3205 0.5503 0.2880 -0.1550 -0.0037 0.0433 279 ILE A CG1 1485 C CG2 . ILE A 233 ? 0.3034 0.5451 0.2576 -0.1726 -0.0097 0.0611 279 ILE A CG2 1486 C CD1 . ILE A 233 ? 0.3369 0.5813 0.2977 -0.1540 0.0031 0.0335 279 ILE A CD1 1487 N N . PRO A 234 ? 0.3323 0.5440 0.2877 -0.1673 -0.0257 0.0640 280 PRO A N 1488 C CA . PRO A 234 ? 0.3319 0.5416 0.2820 -0.1728 -0.0337 0.0723 280 PRO A CA 1489 C C . PRO A 234 ? 0.3065 0.5034 0.2680 -0.1692 -0.0409 0.0781 280 PRO A C 1490 O O . PRO A 234 ? 0.2758 0.4654 0.2485 -0.1623 -0.0393 0.0746 280 PRO A O 1491 C CB . PRO A 234 ? 0.3318 0.5442 0.2742 -0.1725 -0.0331 0.0648 280 PRO A CB 1492 C CG . PRO A 234 ? 0.3309 0.5500 0.2701 -0.1692 -0.0243 0.0536 280 PRO A CG 1493 C CD . PRO A 234 ? 0.3253 0.5391 0.2767 -0.1632 -0.0210 0.0522 280 PRO A CD 1494 N N . ALA A 235 ? 0.3082 0.5030 0.2666 -0.1739 -0.0493 0.0872 281 ALA A N 1495 C CA . ALA A 235 ? 0.2966 0.4806 0.2654 -0.1704 -0.0574 0.0929 281 ALA A CA 1496 C C . ALA A 235 ? 0.3015 0.4829 0.2746 -0.1659 -0.0599 0.0878 281 ALA A C 1497 O O . ALA A 235 ? 0.3088 0.4945 0.2775 -0.1654 -0.0552 0.0798 281 ALA A O 1498 C CB . ALA A 235 ? 0.3084 0.4904 0.2719 -0.1773 -0.0663 0.1053 281 ALA A CB 1499 N N . HIS A 236 ? 0.2953 0.4700 0.2777 -0.1627 -0.0678 0.0922 282 HIS A N 1500 C CA . HIS A 236 ? 0.3070 0.4813 0.2955 -0.1587 -0.0702 0.0877 282 HIS A CA 1501 C C . HIS A 236 ? 0.3494 0.5273 0.3312 -0.1635 -0.0781 0.0922 282 HIS A C 1502 O O . HIS A 236 ? 0.3587 0.5367 0.3476 -0.1605 -0.0828 0.0908 282 HIS A O 1503 C CB . HIS A 236 ? 0.2855 0.4532 0.2898 -0.1511 -0.0733 0.0876 282 HIS A CB 1504 C CG . HIS A 236 ? 0.2731 0.4373 0.2837 -0.1462 -0.0658 0.0825 282 HIS A CG 1505 N ND1 . HIS A 236 ? 0.2610 0.4220 0.2713 -0.1468 -0.0641 0.0858 282 HIS A ND1 1506 C CD2 . HIS A 236 ? 0.2517 0.4154 0.2686 -0.1413 -0.0599 0.0745 282 HIS A CD2 1507 C CE1 . HIS A 236 ? 0.2287 0.3875 0.2451 -0.1418 -0.0577 0.0797 282 HIS A CE1 1508 N NE2 . HIS A 236 ? 0.2452 0.4051 0.2651 -0.1384 -0.0551 0.0731 282 HIS A NE2 1509 N N . ASP A 237 ? 0.3573 0.5394 0.3253 -0.1711 -0.0796 0.0977 283 ASP A N 1510 C CA . ASP A 237 ? 0.3843 0.5706 0.3431 -0.1764 -0.0867 0.1017 283 ASP A CA 1511 C C . ASP A 237 ? 0.3668 0.5595 0.3199 -0.1772 -0.0819 0.0922 283 ASP A C 1512 O O . ASP A 237 ? 0.3508 0.5503 0.2894 -0.1834 -0.0802 0.0911 283 ASP A O 1513 C CB . ASP A 237 ? 0.4228 0.6121 0.3671 -0.1852 -0.0892 0.1107 283 ASP A CB 1514 C CG . ASP A 237 ? 0.4445 0.6419 0.3784 -0.1893 -0.0787 0.1059 283 ASP A CG 1515 O OD1 . ASP A 237 ? 0.4346 0.6311 0.3755 -0.1843 -0.0706 0.0989 283 ASP A OD1 1516 O OD2 . ASP A 237 ? 0.4735 0.6789 0.3920 -0.1972 -0.0789 0.1089 283 ASP A OD2 1517 N N . VAL A 238 ? 0.3537 0.5441 0.3181 -0.1713 -0.0801 0.0852 284 VAL A N 1518 C CA . VAL A 238 ? 0.3790 0.5721 0.3398 -0.1712 -0.0739 0.0749 284 VAL A CA 1519 C C . VAL A 238 ? 0.4273 0.6254 0.3808 -0.1756 -0.0790 0.0736 284 VAL A C 1520 O O . VAL A 238 ? 0.4457 0.6455 0.3931 -0.1769 -0.0748 0.0651 284 VAL A O 1521 C CB . VAL A 238 ? 0.3740 0.5619 0.3495 -0.1641 -0.0704 0.0695 284 VAL A CB 1522 C CG1 . VAL A 238 ? 0.3458 0.5347 0.3319 -0.1622 -0.0769 0.0700 284 VAL A CG1 1523 C CG2 . VAL A 238 ? 0.3951 0.5820 0.3666 -0.1633 -0.0622 0.0600 284 VAL A CG2 1524 N N . TRP A 239 ? 0.4457 0.6455 0.3990 -0.1781 -0.0887 0.0815 285 TRP A N 1525 C CA . TRP A 239 ? 0.4612 0.6663 0.4080 -0.1824 -0.0946 0.0807 285 TRP A CA 1526 C C . TRP A 239 ? 0.5088 0.7194 0.4360 -0.1899 -0.0946 0.0821 285 TRP A C 1527 O O . TRP A 239 ? 0.4989 0.7142 0.4182 -0.1940 -0.0988 0.0801 285 TRP A O 1528 C CB . TRP A 239 ? 0.4344 0.6395 0.3907 -0.1808 -0.1059 0.0882 285 TRP A CB 1529 C CG . TRP A 239 ? 0.4314 0.6330 0.3856 -0.1817 -0.1121 0.0993 285 TRP A CG 1530 C CD1 . TRP A 239 ? 0.4451 0.6486 0.3863 -0.1882 -0.1194 0.1076 285 TRP A CD1 1531 C CD2 . TRP A 239 ? 0.4189 0.6132 0.3834 -0.1767 -0.1122 0.1038 285 TRP A CD2 1532 N NE1 . TRP A 239 ? 0.4503 0.6473 0.3930 -0.1878 -0.1244 0.1175 285 TRP A NE1 1533 C CE2 . TRP A 239 ? 0.4327 0.6237 0.3899 -0.1807 -0.1202 0.1150 285 TRP A CE2 1534 C CE3 . TRP A 239 ? 0.4020 0.5918 0.3805 -0.1695 -0.1067 0.0995 285 TRP A CE3 1535 C CZ2 . TRP A 239 ? 0.4331 0.6155 0.3970 -0.1777 -0.1232 0.1218 285 TRP A CZ2 1536 C CZ3 . TRP A 239 ? 0.4057 0.5881 0.3908 -0.1661 -0.1093 0.1056 285 TRP A CZ3 1537 C CH2 . TRP A 239 ? 0.4152 0.5935 0.3932 -0.1703 -0.1177 0.1165 285 TRP A CH2 1538 N N . HIS A 240 ? 0.5702 0.7817 0.4892 -0.1923 -0.0900 0.0853 286 HIS A N 1539 C CA . HIS A 240 ? 0.6352 0.8544 0.5350 -0.2000 -0.0891 0.0864 286 HIS A CA 1540 C C . HIS A 240 ? 0.6294 0.8516 0.5241 -0.2003 -0.0789 0.0834 286 HIS A C 1541 O O . HIS A 240 ? 0.6708 0.8954 0.5602 -0.2043 -0.0786 0.0911 286 HIS A O 1542 C CB . HIS A 240 ? 0.7095 0.9300 0.6020 -0.2059 -0.0994 0.0991 286 HIS A CB 1543 C CG . HIS A 240 ? 0.7953 1.0102 0.6925 -0.2058 -0.1020 0.1097 286 HIS A CG 1544 N ND1 . HIS A 240 ? 0.8508 1.0656 0.7381 -0.2126 -0.1101 0.1221 286 HIS A ND1 1545 C CD2 . HIS A 240 ? 0.8240 1.0324 0.7338 -0.2004 -0.0980 0.1100 286 HIS A CD2 1546 C CE1 . HIS A 240 ? 0.8714 1.0790 0.7655 -0.2114 -0.1113 0.1295 286 HIS A CE1 1547 N NE2 . HIS A 240 ? 0.8458 1.0499 0.7536 -0.2039 -0.1039 0.1220 286 HIS A NE2 1548 N N . GLN A 241 ? 0.5943 0.8166 0.4908 -0.1961 -0.0703 0.0717 287 GLN A N 1549 C CA . GLN A 241 ? 0.5163 0.7431 0.4085 -0.1956 -0.0607 0.0671 287 GLN A CA 1550 C C . GLN A 241 ? 0.4887 0.7233 0.3673 -0.1974 -0.0556 0.0561 287 GLN A C 1551 O O . GLN A 241 ? 0.4775 0.7077 0.3584 -0.1936 -0.0545 0.0464 287 GLN A O 1552 C CB . GLN A 241 ? 0.4739 0.6930 0.3811 -0.1876 -0.0553 0.0628 287 GLN A CB 1553 C CG . GLN A 241 ? 0.4585 0.6715 0.3773 -0.1860 -0.0591 0.0729 287 GLN A CG 1554 C CD . GLN A 241 ? 0.4331 0.6383 0.3667 -0.1780 -0.0546 0.0684 287 GLN A CD 1555 O OE1 . GLN A 241 ? 0.4231 0.6243 0.3648 -0.1760 -0.0548 0.0739 287 GLN A OE1 1556 N NE2 . GLN A 241 ? 0.4169 0.6191 0.3532 -0.1738 -0.0511 0.0585 287 GLN A NE2 1557 N N . THR A 242 ? 0.4834 0.7299 0.3476 -0.2035 -0.0529 0.0576 288 THR A N 1558 C CA . THR A 242 ? 0.4827 0.7388 0.3334 -0.2046 -0.0470 0.0462 288 THR A CA 1559 C C . THR A 242 ? 0.4497 0.7090 0.3046 -0.1989 -0.0368 0.0373 288 THR A C 1560 O O . THR A 242 ? 0.4299 0.6867 0.2953 -0.1964 -0.0341 0.0420 288 THR A O 1561 C CB . THR A 242 ? 0.5187 0.7887 0.3513 -0.2140 -0.0483 0.0516 288 THR A CB 1562 O OG1 . THR A 242 ? 0.5303 0.8073 0.3624 -0.2177 -0.0447 0.0597 288 THR A OG1 1563 C CG2 . THR A 242 ? 0.3926 0.6593 0.2207 -0.2197 -0.0595 0.0616 288 THR A CG2 1564 N N . ARG A 243 ? 0.4378 0.7026 0.2843 -0.1966 -0.0316 0.0239 289 ARG A N 1565 C CA . ARG A 243 ? 0.4294 0.6993 0.2788 -0.1908 -0.0224 0.0145 289 ARG A CA 1566 C C . ARG A 243 ? 0.4659 0.7513 0.3112 -0.1959 -0.0175 0.0209 289 ARG A C 1567 O O . ARG A 243 ? 0.4783 0.7665 0.3319 -0.1915 -0.0114 0.0185 289 ARG A O 1568 C CB . ARG A 243 ? 0.4136 0.6873 0.2533 -0.1874 -0.0188 -0.0015 289 ARG A CB 1569 C CG . ARG A 243 ? 0.4070 0.6636 0.2526 -0.1817 -0.0225 -0.0091 289 ARG A CG 1570 C CD . ARG A 243 ? 0.4276 0.6854 0.2632 -0.1783 -0.0202 -0.0251 289 ARG A CD 1571 N NE . ARG A 243 ? 0.4526 0.6919 0.2947 -0.1737 -0.0243 -0.0311 289 ARG A NE 1572 C CZ . ARG A 243 ? 0.4705 0.7035 0.3076 -0.1690 -0.0237 -0.0454 289 ARG A CZ 1573 N NH1 . ARG A 243 ? 0.4787 0.7235 0.3046 -0.1670 -0.0189 -0.0566 289 ARG A NH1 1574 N NH2 . ARG A 243 ? 0.4685 0.6836 0.3117 -0.1664 -0.0281 -0.0489 289 ARG A NH2 1575 N N . GLN A 244 ? 0.4779 0.7736 0.3104 -0.2056 -0.0206 0.0296 290 GLN A N 1576 C CA . GLN A 244 ? 0.5045 0.8153 0.3323 -0.2122 -0.0164 0.0370 290 GLN A CA 1577 C C . GLN A 244 ? 0.4894 0.7911 0.3302 -0.2132 -0.0197 0.0503 290 GLN A C 1578 O O . GLN A 244 ? 0.5023 0.8115 0.3477 -0.2140 -0.0142 0.0524 290 GLN A O 1579 C CB . GLN A 244 ? 0.5695 0.8914 0.3829 -0.2216 -0.0190 0.0424 290 GLN A CB 1580 C CG . GLN A 244 ? 0.6373 0.9728 0.4517 -0.2274 -0.0146 0.0485 290 GLN A CG 1581 C CD . GLN A 244 ? 0.7012 1.0480 0.5046 -0.2347 -0.0155 0.0504 290 GLN A CD 1582 O OE1 . GLN A 244 ? 0.7140 1.0780 0.5148 -0.2372 -0.0089 0.0466 290 GLN A OE1 1583 N NE2 . GLN A 244 ? 0.7285 1.0666 0.5257 -0.2382 -0.0237 0.0561 290 GLN A NE2 1584 N N . ASP A 245 ? 0.4644 0.7504 0.3116 -0.2131 -0.0288 0.0590 291 ASP A N 1585 C CA . ASP A 245 ? 0.4433 0.7184 0.3038 -0.2122 -0.0326 0.0698 291 ASP A CA 1586 C C . ASP A 245 ? 0.4161 0.6864 0.2915 -0.2032 -0.0262 0.0625 291 ASP A C 1587 O O . ASP A 245 ? 0.4113 0.6823 0.2936 -0.2040 -0.0244 0.0682 291 ASP A O 1588 C CB . ASP A 245 ? 0.4557 0.7154 0.3229 -0.2107 -0.0430 0.0764 291 ASP A CB 1589 C CG . ASP A 245 ? 0.4791 0.7416 0.3332 -0.2194 -0.0514 0.0859 291 ASP A CG 1590 O OD1 . ASP A 245 ? 0.4812 0.7546 0.3227 -0.2284 -0.0507 0.0927 291 ASP A OD1 1591 O OD2 . ASP A 245 ? 0.4876 0.7416 0.3445 -0.2175 -0.0591 0.0869 291 ASP A OD2 1592 N N . GLN A 246 ? 0.3978 0.6619 0.2781 -0.1948 -0.0237 0.0503 292 GLN A N 1593 C CA . GLN A 246 ? 0.3768 0.6346 0.2704 -0.1860 -0.0186 0.0437 292 GLN A CA 1594 C C . GLN A 246 ? 0.3772 0.6499 0.2685 -0.1857 -0.0097 0.0379 292 GLN A C 1595 O O . GLN A 246 ? 0.3549 0.6269 0.2563 -0.1828 -0.0067 0.0395 292 GLN A O 1596 C CB . GLN A 246 ? 0.3571 0.6041 0.2548 -0.1782 -0.0186 0.0327 292 GLN A CB 1597 C CG . GLN A 246 ? 0.3451 0.5811 0.2447 -0.1792 -0.0269 0.0368 292 GLN A CG 1598 C CD . GLN A 246 ? 0.3228 0.5499 0.2340 -0.1792 -0.0325 0.0483 292 GLN A CD 1599 O OE1 . GLN A 246 ? 0.3218 0.5524 0.2301 -0.1851 -0.0365 0.0591 292 GLN A OE1 1600 N NE2 . GLN A 246 ? 0.2902 0.5057 0.2140 -0.1726 -0.0334 0.0460 292 GLN A NE2 1601 N N . LEU A 247 ? 0.3970 0.6844 0.2751 -0.1885 -0.0056 0.0307 293 LEU A N 1602 C CA . LEU A 247 ? 0.4003 0.7054 0.2763 -0.1885 0.0030 0.0249 293 LEU A CA 1603 C C . LEU A 247 ? 0.4212 0.7355 0.2977 -0.1973 0.0031 0.0380 293 LEU A C 1604 O O . LEU A 247 ? 0.4181 0.7391 0.3027 -0.1955 0.0083 0.0371 293 LEU A O 1605 C CB . LEU A 247 ? 0.3988 0.7197 0.2599 -0.1901 0.0071 0.0144 293 LEU A CB 1606 C CG . LEU A 247 ? 0.3893 0.7007 0.2507 -0.1804 0.0075 -0.0007 293 LEU A CG 1607 C CD1 . LEU A 247 ? 0.3630 0.6917 0.2108 -0.1805 0.0127 -0.0133 293 LEU A CD1 1608 C CD2 . LEU A 247 ? 0.3336 0.6348 0.2102 -0.1699 0.0103 -0.0072 293 LEU A CD2 1609 N N . ARG A 248 ? 0.4312 0.7445 0.2994 -0.2069 -0.0035 0.0508 294 ARG A N 1610 C CA . ARG A 248 ? 0.4524 0.7704 0.3208 -0.2159 -0.0052 0.0645 294 ARG A CA 1611 C C . ARG A 248 ? 0.4434 0.7478 0.3282 -0.2115 -0.0071 0.0697 294 ARG A C 1612 O O . ARG A 248 ? 0.4553 0.7644 0.3462 -0.2129 -0.0053 0.0726 294 ARG A O 1613 C CB . ARG A 248 ? 0.4713 0.7838 0.3315 -0.2241 -0.0149 0.0763 294 ARG A CB 1614 C CG . ARG A 248 ? 0.4837 0.7932 0.3480 -0.2305 -0.0205 0.0892 294 ARG A CG 1615 C CD . ARG A 248 ? 0.5164 0.8163 0.3743 -0.2375 -0.0314 0.1016 294 ARG A CD 1616 N NE . ARG A 248 ? 0.5461 0.8291 0.4081 -0.2333 -0.0378 0.1053 294 ARG A NE 1617 C CZ . ARG A 248 ? 0.5893 0.8633 0.4464 -0.2368 -0.0477 0.1138 294 ARG A CZ 1618 N NH1 . ARG A 248 ? 0.6351 0.9141 0.4833 -0.2448 -0.0520 0.1197 294 ARG A NH1 1619 N NH2 . ARG A 248 ? 0.5795 0.8394 0.4428 -0.2313 -0.0535 0.1154 294 ARG A NH2 1620 N N . ALA A 249 ? 0.4112 0.6963 0.3058 -0.2038 -0.0122 0.0686 295 ALA A N 1621 C CA . ALA A 249 ? 0.3798 0.6520 0.2903 -0.1980 -0.0135 0.0711 295 ALA A CA 1622 C C . ALA A 249 ? 0.3607 0.6406 0.2786 -0.1915 -0.0047 0.0608 295 ALA A C 1623 O O . ALA A 249 ? 0.3389 0.6213 0.2642 -0.1927 -0.0029 0.0648 295 ALA A O 1624 C CB . ALA A 249 ? 0.3619 0.6152 0.2807 -0.1905 -0.0194 0.0699 295 ALA A CB 1625 N N . LEU A 250 ? 0.3568 0.6404 0.2726 -0.1846 0.0003 0.0472 296 LEU A N 1626 C CA . LEU A 250 ? 0.3487 0.6396 0.2710 -0.1774 0.0080 0.0362 296 LEU A CA 1627 C C . LEU A 250 ? 0.3601 0.6727 0.2798 -0.1838 0.0139 0.0380 296 LEU A C 1628 O O . LEU A 250 ? 0.3577 0.6732 0.2875 -0.1815 0.0168 0.0380 296 LEU A O 1629 C CB . LEU A 250 ? 0.3392 0.6310 0.2568 -0.1701 0.0112 0.0215 296 LEU A CB 1630 C CG . LEU A 250 ? 0.3297 0.6327 0.2514 -0.1627 0.0190 0.0088 296 LEU A CG 1631 C CD1 . LEU A 250 ? 0.3193 0.6097 0.2559 -0.1545 0.0189 0.0077 296 LEU A CD1 1632 C CD2 . LEU A 250 ? 0.3284 0.6332 0.2422 -0.1568 0.0212 -0.0056 296 LEU A CD2 1633 N N . THR A 251 ? 0.3764 0.7056 0.2823 -0.1925 0.0157 0.0397 297 THR A N 1634 C CA . THR A 251 ? 0.3783 0.7283 0.2828 -0.1966 0.0210 0.0384 297 THR A CA 1635 C C . THR A 251 ? 0.3921 0.7362 0.3014 -0.2024 0.0152 0.0516 297 THR A C 1636 O O . THR A 251 ? 0.3923 0.7459 0.3075 -0.2020 0.0183 0.0502 297 THR A O 1637 C CB . THR A 251 ? 0.3878 0.7541 0.2781 -0.2012 0.0230 0.0339 297 THR A CB 1638 O OG1 . THR A 251 ? 0.4270 0.7848 0.3081 -0.2095 0.0150 0.0451 297 THR A OG1 1639 C CG2 . THR A 251 ? 0.3673 0.7393 0.2518 -0.1939 0.0287 0.0184 297 THR A CG2 1640 N N . THR A 252 ? 0.4020 0.7305 0.3086 -0.2076 0.0062 0.0640 298 THR A N 1641 C CA . THR A 252 ? 0.3986 0.7196 0.3080 -0.2130 -0.0003 0.0762 298 THR A CA 1642 C C . THR A 252 ? 0.3752 0.6851 0.2989 -0.2066 -0.0002 0.0766 298 THR A C 1643 O O . THR A 252 ? 0.3803 0.6951 0.3083 -0.2080 0.0008 0.0783 298 THR A O 1644 C CB . THR A 252 ? 0.3917 0.6980 0.2950 -0.2190 -0.0105 0.0885 298 THR A CB 1645 O OG1 . THR A 252 ? 0.4094 0.7266 0.2993 -0.2251 -0.0107 0.0878 298 THR A OG1 1646 C CG2 . THR A 252 ? 0.3963 0.6942 0.3013 -0.2249 -0.0180 0.1009 298 THR A CG2 1647 N N . VAL A 253 ? 0.3543 0.6497 0.2859 -0.1999 -0.0015 0.0748 299 VAL A N 1648 C CA . VAL A 253 ? 0.3298 0.6138 0.2752 -0.1936 -0.0022 0.0751 299 VAL A CA 1649 C C . VAL A 253 ? 0.3334 0.6313 0.2852 -0.1882 0.0066 0.0643 299 VAL A C 1650 O O . VAL A 253 ? 0.3372 0.6344 0.2964 -0.1871 0.0066 0.0660 299 VAL A O 1651 C CB . VAL A 253 ? 0.2933 0.5599 0.2461 -0.1880 -0.0058 0.0752 299 VAL A CB 1652 C CG1 . VAL A 253 ? 0.2620 0.5186 0.2290 -0.1805 -0.0055 0.0731 299 VAL A CG1 1653 C CG2 . VAL A 253 ? 0.2894 0.5426 0.2378 -0.1930 -0.0155 0.0867 299 VAL A CG2 1654 N N . THR A 254 ? 0.3309 0.6427 0.2797 -0.1851 0.0139 0.0530 300 THR A N 1655 C CA . THR A 254 ? 0.3171 0.6440 0.2724 -0.1792 0.0219 0.0418 300 THR A CA 1656 C C . THR A 254 ? 0.3233 0.6642 0.2778 -0.1837 0.0233 0.0441 300 THR A C 1657 O O . THR A 254 ? 0.3263 0.6711 0.2906 -0.1798 0.0258 0.0412 300 THR A O 1658 C CB . THR A 254 ? 0.3050 0.6462 0.2542 -0.1758 0.0289 0.0291 300 THR A CB 1659 O OG1 . THR A 254 ? 0.3040 0.6235 0.2555 -0.1664 0.0250 0.0239 300 THR A OG1 1660 C CG2 . THR A 254 ? 0.2905 0.6508 0.2456 -0.1696 0.0369 0.0168 300 THR A CG2 1661 N N . ALA A 255 ? 0.3316 0.6807 0.2746 -0.1925 0.0214 0.0495 301 ALA A N 1662 C CA . ALA A 255 ? 0.3458 0.7090 0.2872 -0.1986 0.0223 0.0525 301 ALA A CA 1663 C C . ALA A 255 ? 0.3571 0.7058 0.3042 -0.2017 0.0159 0.0639 301 ALA A C 1664 O O . ALA A 255 ? 0.3648 0.7228 0.3159 -0.2039 0.0176 0.0644 301 ALA A O 1665 C CB . ALA A 255 ? 0.3262 0.7006 0.2536 -0.2081 0.0209 0.0562 301 ALA A CB 1666 N N . LEU A 256 ? 0.3602 0.6864 0.3079 -0.2021 0.0083 0.0726 302 LEU A N 1667 C CA . LEU A 256 ? 0.3634 0.6742 0.3160 -0.2046 0.0014 0.0829 302 LEU A CA 1668 C C . LEU A 256 ? 0.3524 0.6598 0.3188 -0.1968 0.0044 0.0777 302 LEU A C 1669 O O . LEU A 256 ? 0.3575 0.6661 0.3278 -0.1996 0.0033 0.0815 302 LEU A O 1670 C CB . LEU A 256 ? 0.3616 0.6503 0.3124 -0.2055 -0.0075 0.0919 302 LEU A CB 1671 C CG . LEU A 256 ? 0.3670 0.6403 0.3191 -0.2105 -0.0165 0.1041 302 LEU A CG 1672 C CD1 . LEU A 256 ? 0.3786 0.6625 0.3206 -0.2220 -0.0190 0.1115 302 LEU A CD1 1673 C CD2 . LEU A 256 ? 0.3677 0.6199 0.3204 -0.2091 -0.0250 0.1110 302 LEU A CD2 1674 N N . VAL A 257 ? 0.3506 0.6539 0.3242 -0.1874 0.0078 0.0693 303 VAL A N 1675 C CA . VAL A 257 ? 0.3690 0.6692 0.3557 -0.1802 0.0100 0.0645 303 VAL A CA 1676 C C . VAL A 257 ? 0.3935 0.7164 0.3830 -0.1794 0.0173 0.0565 303 VAL A C 1677 O O . VAL A 257 ? 0.4054 0.7297 0.4031 -0.1782 0.0176 0.0566 303 VAL A O 1678 C CB . VAL A 257 ? 0.3484 0.6381 0.3425 -0.1709 0.0110 0.0579 303 VAL A CB 1679 C CG1 . VAL A 257 ? 0.3283 0.6060 0.3159 -0.1723 0.0067 0.0618 303 VAL A CG1 1680 C CG2 . VAL A 257 ? 0.3426 0.6487 0.3411 -0.1642 0.0194 0.0446 303 VAL A CG2 1681 N N . ARG A 258 ? 0.3963 0.7381 0.3789 -0.1803 0.0230 0.0494 304 ARG A N 1682 C CA . ARG A 258 ? 0.3926 0.7583 0.3781 -0.1793 0.0298 0.0411 304 ARG A CA 1683 C C . ARG A 258 ? 0.3810 0.7533 0.3644 -0.1882 0.0276 0.0493 304 ARG A C 1684 O O . ARG A 258 ? 0.3752 0.7606 0.3660 -0.1868 0.0311 0.0451 304 ARG A O 1685 C CB . ARG A 258 ? 0.4228 0.8070 0.4004 -0.1785 0.0357 0.0316 304 ARG A CB 1686 C CG . ARG A 258 ? 0.4709 0.8806 0.4532 -0.1748 0.0431 0.0203 304 ARG A CG 1687 C CD . ARG A 258 ? 0.5234 0.9458 0.5037 -0.1674 0.0493 0.0061 304 ARG A CD 1688 N NE . ARG A 258 ? 0.5855 1.0354 0.5664 -0.1663 0.0553 -0.0035 304 ARG A NE 1689 C CZ . ARG A 258 ? 0.6393 1.1055 0.6095 -0.1720 0.0575 -0.0054 304 ARG A CZ 1690 N NH1 . ARG A 258 ? 0.6562 1.1135 0.6140 -0.1790 0.0539 0.0017 304 ARG A NH1 1691 N NH2 . ARG A 258 ? 0.6568 1.1489 0.6293 -0.1704 0.0629 -0.0147 304 ARG A NH2 1692 N N . LYS A 259 ? 0.3785 0.7412 0.3525 -0.1976 0.0212 0.0612 305 LYS A N 1693 C CA . LYS A 259 ? 0.4028 0.7707 0.3739 -0.2074 0.0182 0.0698 305 LYS A CA 1694 C C . LYS A 259 ? 0.4168 0.7710 0.3980 -0.2061 0.0143 0.0748 305 LYS A C 1695 O O . LYS A 259 ? 0.4366 0.8013 0.4205 -0.2108 0.0152 0.0765 305 LYS A O 1696 C CB . LYS A 259 ? 0.4096 0.7699 0.3678 -0.2177 0.0114 0.0813 305 LYS A CB 1697 C CG . LYS A 259 ? 0.4097 0.7676 0.3648 -0.2284 0.0055 0.0931 305 LYS A CG 1698 C CD . LYS A 259 ? 0.4136 0.7572 0.3576 -0.2367 -0.0035 0.1052 305 LYS A CD 1699 C CE . LYS A 259 ? 0.4251 0.7737 0.3620 -0.2498 -0.0083 0.1158 305 LYS A CE 1700 N NZ . LYS A 259 ? 0.4229 0.7674 0.3680 -0.2513 -0.0100 0.1192 305 LYS A NZ 1701 N N . PHE A 260 ? 0.3933 0.7249 0.3802 -0.2001 0.0100 0.0768 306 PHE A N 1702 C CA . PHE A 260 ? 0.3591 0.6761 0.3549 -0.1992 0.0054 0.0816 306 PHE A CA 1703 C C . PHE A 260 ? 0.3480 0.6689 0.3570 -0.1895 0.0103 0.0719 306 PHE A C 1704 O O . PHE A 260 ? 0.3574 0.6718 0.3743 -0.1892 0.0077 0.0744 306 PHE A O 1705 C CB . PHE A 260 ? 0.3273 0.6177 0.3221 -0.1987 -0.0031 0.0898 306 PHE A CB 1706 C CG . PHE A 260 ? 0.3298 0.6137 0.3139 -0.2091 -0.0104 0.1017 306 PHE A CG 1707 C CD1 . PHE A 260 ? 0.3217 0.6083 0.2949 -0.2128 -0.0114 0.1039 306 PHE A CD1 1708 C CD2 . PHE A 260 ? 0.3344 0.6106 0.3190 -0.2160 -0.0166 0.1108 306 PHE A CD2 1709 C CE1 . PHE A 260 ? 0.3380 0.6192 0.3012 -0.2229 -0.0188 0.1152 306 PHE A CE1 1710 C CE2 . PHE A 260 ? 0.3490 0.6190 0.3234 -0.2262 -0.0241 0.1221 306 PHE A CE2 1711 C CZ . PHE A 260 ? 0.3501 0.6227 0.3139 -0.2296 -0.0254 0.1245 306 PHE A CZ 1712 N N . LEU A 261 ? 0.3339 0.6657 0.3455 -0.1818 0.0168 0.0608 307 LEU A N 1713 C CA . LEU A 261 ? 0.3150 0.6518 0.3392 -0.1724 0.0209 0.0513 307 LEU A CA 1714 C C . LEU A 261 ? 0.3161 0.6803 0.3430 -0.1706 0.0285 0.0414 307 LEU A C 1715 O O . LEU A 261 ? 0.3134 0.6841 0.3514 -0.1630 0.0314 0.0335 307 LEU A O 1716 C CB . LEU A 261 ? 0.3006 0.6258 0.3282 -0.1635 0.0212 0.0457 307 LEU A CB 1717 C CG . LEU A 261 ? 0.2878 0.5870 0.3172 -0.1639 0.0134 0.0545 307 LEU A CG 1718 C CD1 . LEU A 261 ? 0.2659 0.5521 0.2864 -0.1664 0.0094 0.0599 307 LEU A CD1 1719 C CD2 . LEU A 261 ? 0.2650 0.5555 0.3064 -0.1551 0.0130 0.0494 307 LEU A CD2 1720 N N . GLY A 262 ? 0.3188 0.6998 0.3361 -0.1770 0.0314 0.0414 308 GLY A N 1721 C CA . GLY A 262 ? 0.3067 0.7154 0.3260 -0.1765 0.0381 0.0327 308 GLY A CA 1722 C C . GLY A 262 ? 0.2883 0.7077 0.3172 -0.1641 0.0437 0.0183 308 GLY A C 1723 O O . GLY A 262 ? 0.2846 0.7020 0.3113 -0.1581 0.0458 0.0116 308 GLY A O 1724 N N . PRO A 263 ? 0.2885 0.7193 0.3287 -0.1602 0.0458 0.0133 309 PRO A N 1725 C CA . PRO A 263 ? 0.2825 0.7267 0.3329 -0.1478 0.0508 -0.0013 309 PRO A CA 1726 C C . PRO A 263 ? 0.2662 0.6919 0.3238 -0.1383 0.0486 -0.0045 309 PRO A C 1727 O O . PRO A 263 ? 0.2498 0.6847 0.3142 -0.1277 0.0520 -0.0169 309 PRO A O 1728 C CB . PRO A 263 ? 0.2519 0.7118 0.3124 -0.1478 0.0521 -0.0034 309 PRO A CB 1729 C CG . PRO A 263 ? 0.2840 0.7304 0.3416 -0.1589 0.0466 0.0111 309 PRO A CG 1730 C CD . PRO A 263 ? 0.2966 0.7321 0.3398 -0.1677 0.0438 0.0204 309 PRO A CD 1731 N N . VAL A 264 ? 0.2660 0.6666 0.3222 -0.1415 0.0426 0.0057 310 VAL A N 1732 C CA . VAL A 264 ? 0.2603 0.6442 0.3242 -0.1334 0.0400 0.0033 310 VAL A CA 1733 C C . VAL A 264 ? 0.2772 0.6587 0.3361 -0.1288 0.0422 -0.0029 310 VAL A C 1734 O O . VAL A 264 ? 0.2824 0.6579 0.3298 -0.1350 0.0413 0.0024 310 VAL A O 1735 C CB . VAL A 264 ? 0.2583 0.6169 0.3215 -0.1382 0.0328 0.0155 310 VAL A CB 1736 C CG1 . VAL A 264 ? 0.1989 0.5409 0.2692 -0.1304 0.0300 0.0131 310 VAL A CG1 1737 C CG2 . VAL A 264 ? 0.2169 0.5775 0.2848 -0.1432 0.0305 0.0212 310 VAL A CG2 1738 N N . PRO A 265 ? 0.2688 0.6537 0.3359 -0.1180 0.0442 -0.0140 311 PRO A N 1739 C CA . PRO A 265 ? 0.2634 0.6336 0.3214 -0.1105 0.0437 -0.0203 311 PRO A CA 1740 C C . PRO A 265 ? 0.2822 0.6240 0.3337 -0.1133 0.0379 -0.0110 311 PRO A C 1741 O O . PRO A 265 ? 0.2725 0.5987 0.3292 -0.1136 0.0333 -0.0044 311 PRO A O 1742 C CB . PRO A 265 ? 0.2500 0.6151 0.3150 -0.0952 0.0431 -0.0327 311 PRO A CB 1743 C CG . PRO A 265 ? 0.2442 0.6310 0.3216 -0.0946 0.0454 -0.0354 311 PRO A CG 1744 C CD . PRO A 265 ? 0.2465 0.6364 0.3262 -0.1083 0.0441 -0.0217 311 PRO A CD 1745 N N . VAL A 266 ? 0.2923 0.6286 0.3327 -0.1150 0.0380 -0.0113 312 VAL A N 1746 C CA . VAL A 266 ? 0.2770 0.5890 0.3112 -0.1169 0.0328 -0.0041 312 VAL A CA 1747 C C . VAL A 266 ? 0.2770 0.5760 0.3059 -0.1072 0.0323 -0.0136 312 VAL A C 1748 O O . VAL A 266 ? 0.2878 0.5978 0.3104 -0.1056 0.0357 -0.0215 312 VAL A O 1749 C CB . VAL A 266 ? 0.2641 0.5807 0.2893 -0.1296 0.0322 0.0059 312 VAL A CB 1750 C CG1 . VAL A 266 ? 0.2548 0.5473 0.2745 -0.1302 0.0265 0.0121 312 VAL A CG1 1751 C CG2 . VAL A 266 ? 0.2381 0.5662 0.2676 -0.1402 0.0320 0.0159 312 VAL A CG2 1752 N N . TYR A 267 ? 0.2616 0.5377 0.2928 -0.1012 0.0278 -0.0129 313 TYR A N 1753 C CA . TYR A 267 ? 0.2819 0.5431 0.3079 -0.0934 0.0264 -0.0205 313 TYR A CA 1754 C C . TYR A 267 ? 0.2890 0.5339 0.3083 -0.0984 0.0225 -0.0132 313 TYR A C 1755 O O . TYR A 267 ? 0.2955 0.5255 0.3184 -0.0989 0.0187 -0.0064 313 TYR A O 1756 C CB . TYR A 267 ? 0.2904 0.5384 0.3230 -0.0830 0.0241 -0.0257 313 TYR A CB 1757 C CG . TYR A 267 ? 0.3037 0.5677 0.3449 -0.0776 0.0268 -0.0322 313 TYR A CG 1758 C CD1 . TYR A 267 ? 0.3052 0.5934 0.3463 -0.0779 0.0319 -0.0391 313 TYR A CD1 1759 C CD2 . TYR A 267 ? 0.3064 0.5628 0.3561 -0.0720 0.0243 -0.0319 313 TYR A CD2 1760 C CE1 . TYR A 267 ? 0.2966 0.6019 0.3471 -0.0726 0.0344 -0.0456 313 TYR A CE1 1761 C CE2 . TYR A 267 ? 0.3000 0.5719 0.3585 -0.0668 0.0262 -0.0379 313 TYR A CE2 1762 C CZ . TYR A 267 ? 0.2977 0.5943 0.3572 -0.0670 0.0312 -0.0449 313 TYR A CZ 1763 O OH . TYR A 267 ? 0.3024 0.6159 0.3720 -0.0615 0.0329 -0.0512 313 TYR A OH 1764 N N . PRO A 268 ? 0.2776 0.5259 0.2873 -0.1022 0.0233 -0.0145 314 PRO A N 1765 C CA . PRO A 268 ? 0.2566 0.4910 0.2606 -0.1068 0.0192 -0.0080 314 PRO A CA 1766 C C . PRO A 268 ? 0.2572 0.4730 0.2589 -0.1001 0.0165 -0.0137 314 PRO A C 1767 O O . PRO A 268 ? 0.2535 0.4667 0.2552 -0.0922 0.0176 -0.0235 314 PRO A O 1768 C CB . PRO A 268 ? 0.2567 0.5051 0.2509 -0.1140 0.0211 -0.0077 314 PRO A CB 1769 C CG . PRO A 268 ? 0.2658 0.5364 0.2606 -0.1130 0.0269 -0.0146 314 PRO A CG 1770 C CD . PRO A 268 ? 0.2754 0.5432 0.2793 -0.1031 0.0279 -0.0220 314 PRO A CD 1771 N N . ALA A 269 ? 0.2582 0.4611 0.2581 -0.1037 0.0126 -0.0070 315 ALA A N 1772 C CA . ALA A 269 ? 0.2534 0.4401 0.2496 -0.1007 0.0097 -0.0105 315 ALA A CA 1773 C C . ALA A 269 ? 0.2505 0.4365 0.2402 -0.1080 0.0072 -0.0053 315 ALA A C 1774 O O . ALA A 269 ? 0.2301 0.4228 0.2204 -0.1145 0.0062 0.0032 315 ALA A O 1775 C CB . ALA A 269 ? 0.2313 0.4024 0.2344 -0.0967 0.0071 -0.0076 315 ALA A CB 1776 N N . VAL A 270 ? 0.2552 0.4328 0.2386 -0.1070 0.0054 -0.0104 316 VAL A N 1777 C CA . VAL A 270 ? 0.2656 0.4444 0.2419 -0.1136 0.0029 -0.0074 316 VAL A CA 1778 C C . VAL A 270 ? 0.2734 0.4418 0.2542 -0.1165 -0.0015 0.0008 316 VAL A C 1779 O O . VAL A 270 ? 0.2701 0.4256 0.2538 -0.1133 -0.0031 -0.0009 316 VAL A O 1780 C CB . VAL A 270 ? 0.2682 0.4431 0.2357 -0.1117 0.0026 -0.0173 316 VAL A CB 1781 C CG1 . VAL A 270 ? 0.2636 0.4397 0.2234 -0.1188 -0.0006 -0.0145 316 VAL A CG1 1782 C CG2 . VAL A 270 ? 0.2691 0.4561 0.2330 -0.1076 0.0070 -0.0268 316 VAL A CG2 1783 N N . GLY A 271 ? 0.2716 0.4460 0.2531 -0.1225 -0.0036 0.0097 317 GLY A N 1784 C CA . GLY A 271 ? 0.2770 0.4439 0.2632 -0.1247 -0.0082 0.0166 317 GLY A CA 1785 C C . GLY A 271 ? 0.3190 0.4836 0.2991 -0.1283 -0.0115 0.0156 317 GLY A C 1786 O O . GLY A 271 ? 0.3502 0.5187 0.3213 -0.1299 -0.0106 0.0100 317 GLY A O 1787 N N . ASN A 272 ? 0.3217 0.4807 0.3071 -0.1296 -0.0156 0.0205 318 ASN A N 1788 C CA . ASN A 272 ? 0.3509 0.5084 0.3320 -0.1334 -0.0192 0.0197 318 ASN A CA 1789 C C . ASN A 272 ? 0.3618 0.5284 0.3369 -0.1394 -0.0224 0.0246 318 ASN A C 1790 O O . ASN A 272 ? 0.3734 0.5406 0.3425 -0.1430 -0.0253 0.0228 318 ASN A O 1791 C CB . ASN A 272 ? 0.3664 0.5172 0.3560 -0.1328 -0.0221 0.0227 318 ASN A CB 1792 C CG . ASN A 272 ? 0.3795 0.5327 0.3783 -0.1322 -0.0245 0.0306 318 ASN A CG 1793 O OD1 . ASN A 272 ? 0.4330 0.5865 0.4355 -0.1294 -0.0224 0.0325 318 ASN A OD1 1794 N ND2 . ASN A 272 ? 0.3562 0.5112 0.3590 -0.1346 -0.0294 0.0350 318 ASN A ND2 1795 N N . HIS A 273 ? 0.3321 0.5053 0.3080 -0.1412 -0.0226 0.0311 319 HIS A N 1796 C CA . HIS A 273 ? 0.3100 0.4908 0.2793 -0.1476 -0.0265 0.0371 319 HIS A CA 1797 C C . HIS A 273 ? 0.2965 0.4874 0.2539 -0.1510 -0.0230 0.0336 319 HIS A C 1798 O O . HIS A 273 ? 0.2925 0.4904 0.2421 -0.1571 -0.0261 0.0384 319 HIS A O 1799 C CB . HIS A 273 ? 0.3054 0.4868 0.2810 -0.1490 -0.0299 0.0472 319 HIS A CB 1800 C CG . HIS A 273 ? 0.3140 0.4901 0.2976 -0.1483 -0.0365 0.0524 319 HIS A CG 1801 N ND1 . HIS A 273 ? 0.3096 0.4787 0.3043 -0.1428 -0.0364 0.0509 319 HIS A ND1 1802 C CD2 . HIS A 273 ? 0.3147 0.4927 0.2967 -0.1521 -0.0434 0.0583 319 HIS A CD2 1803 C CE1 . HIS A 273 ? 0.3031 0.4713 0.3036 -0.1430 -0.0426 0.0553 319 HIS A CE1 1804 N NE2 . HIS A 273 ? 0.3110 0.4841 0.3045 -0.1483 -0.0472 0.0598 319 HIS A NE2 1805 N N . GLU A 274 ? 0.2975 0.4899 0.2530 -0.1470 -0.0170 0.0250 320 GLU A N 1806 C CA . GLU A 274 ? 0.2941 0.4989 0.2394 -0.1494 -0.0128 0.0207 320 GLU A CA 1807 C C . GLU A 274 ? 0.3112 0.5190 0.2447 -0.1527 -0.0145 0.0157 320 GLU A C 1808 O O . GLU A 274 ? 0.3243 0.5445 0.2474 -0.1575 -0.0131 0.0155 320 GLU A O 1809 C CB . GLU A 274 ? 0.2808 0.4868 0.2285 -0.1428 -0.0065 0.0117 320 GLU A CB 1810 C CG . GLU A 274 ? 0.2789 0.4926 0.2324 -0.1428 -0.0032 0.0161 320 GLU A CG 1811 C CD . GLU A 274 ? 0.2756 0.4796 0.2407 -0.1413 -0.0062 0.0241 320 GLU A CD 1812 O OE1 . GLU A 274 ? 0.2754 0.4769 0.2415 -0.1459 -0.0114 0.0333 320 GLU A OE1 1813 O OE2 . GLU A 274 ? 0.2698 0.4683 0.2428 -0.1352 -0.0039 0.0208 320 GLU A OE2 1814 N N . SER A 275 ? 0.3173 0.5147 0.2518 -0.1509 -0.0176 0.0117 321 SER A N 1815 C CA . SER A 275 ? 0.3351 0.5341 0.2584 -0.1539 -0.0195 0.0056 321 SER A CA 1816 C C . SER A 275 ? 0.3507 0.5524 0.2708 -0.1609 -0.0261 0.0143 321 SER A C 1817 O O . SER A 275 ? 0.3449 0.5464 0.2719 -0.1627 -0.0294 0.0246 321 SER A O 1818 C CB . SER A 275 ? 0.3263 0.5122 0.2513 -0.1495 -0.0202 -0.0032 321 SER A CB 1819 O OG . SER A 275 ? 0.3371 0.5239 0.2509 -0.1523 -0.0224 -0.0101 321 SER A OG 1820 N N . THR A 276 ? 0.3591 0.5634 0.2685 -0.1644 -0.0286 0.0097 322 THR A N 1821 C CA . THR A 276 ? 0.3635 0.5679 0.2710 -0.1700 -0.0360 0.0161 322 THR A CA 1822 C C . THR A 276 ? 0.3853 0.5836 0.2882 -0.1705 -0.0387 0.0076 322 THR A C 1823 O O . THR A 276 ? 0.4070 0.6062 0.3002 -0.1694 -0.0358 -0.0028 322 THR A O 1824 C CB . THR A 276 ? 0.3632 0.5800 0.2595 -0.1771 -0.0382 0.0228 322 THR A CB 1825 O OG1 . THR A 276 ? 0.3520 0.5679 0.2470 -0.1818 -0.0465 0.0285 322 THR A OG1 1826 C CG2 . THR A 276 ? 0.3730 0.5997 0.2542 -0.1787 -0.0337 0.0137 322 THR A CG2 1827 N N . PRO A 277 ? 0.3770 0.5690 0.2873 -0.1719 -0.0445 0.0113 323 PRO A N 1828 C CA . PRO A 277 ? 0.3618 0.5521 0.2854 -0.1715 -0.0481 0.0214 323 PRO A CA 1829 C C . PRO A 277 ? 0.3629 0.5467 0.2982 -0.1652 -0.0433 0.0215 323 PRO A C 1830 O O . PRO A 277 ? 0.3832 0.5620 0.3166 -0.1615 -0.0382 0.0134 323 PRO A O 1831 C CB . PRO A 277 ? 0.3623 0.5486 0.2901 -0.1739 -0.0540 0.0206 323 PRO A CB 1832 C CG . PRO A 277 ? 0.3760 0.5633 0.2902 -0.1776 -0.0552 0.0124 323 PRO A CG 1833 C CD . PRO A 277 ? 0.3783 0.5650 0.2844 -0.1741 -0.0481 0.0042 323 PRO A CD 1834 N N . VAL A 278 ? 0.3547 0.5380 0.3011 -0.1637 -0.0453 0.0300 324 VAL A N 1835 C CA . VAL A 278 ? 0.3570 0.5342 0.3144 -0.1579 -0.0413 0.0302 324 VAL A CA 1836 C C . VAL A 278 ? 0.3902 0.5585 0.3510 -0.1553 -0.0393 0.0227 324 VAL A C 1837 O O . VAL A 278 ? 0.4172 0.5836 0.3776 -0.1582 -0.0429 0.0207 324 VAL A O 1838 C CB . VAL A 278 ? 0.3346 0.5121 0.3038 -0.1568 -0.0455 0.0393 324 VAL A CB 1839 C CG1 . VAL A 278 ? 0.3281 0.5051 0.3041 -0.1580 -0.0510 0.0402 324 VAL A CG1 1840 C CG2 . VAL A 278 ? 0.3080 0.4804 0.2869 -0.1510 -0.0413 0.0399 324 VAL A CG2 1841 N N . ASN A 279 ? 0.3480 0.5299 0.4151 -0.1243 -0.0746 0.0353 325 ASN A N 1842 C CA . ASN A 279 ? 0.3394 0.5151 0.4117 -0.1247 -0.0683 0.0256 325 ASN A CA 1843 C C . ASN A 279 ? 0.3622 0.5351 0.4185 -0.1341 -0.0699 0.0157 325 ASN A C 1844 O O . ASN A 279 ? 0.3815 0.5466 0.4400 -0.1361 -0.0661 0.0082 325 ASN A O 1845 C CB . ASN A 279 ? 0.3062 0.4913 0.4021 -0.1223 -0.0701 0.0292 325 ASN A CB 1846 C CG . ASN A 279 ? 0.2946 0.4826 0.4067 -0.1118 -0.0697 0.0380 325 ASN A CG 1847 O OD1 . ASN A 279 ? 0.3135 0.5149 0.4390 -0.1095 -0.0776 0.0459 325 ASN A OD1 1848 N ND2 . ASN A 279 ? 0.2699 0.4450 0.3810 -0.1051 -0.0612 0.0361 325 ASN A ND2 1849 N N . SER A 280 ? 0.3628 0.5404 0.4018 -0.1403 -0.0755 0.0153 326 SER A N 1850 C CA . SER A 280 ? 0.3716 0.5456 0.3938 -0.1491 -0.0778 0.0044 326 SER A CA 1851 C C . SER A 280 ? 0.3537 0.5130 0.3597 -0.1459 -0.0682 -0.0067 326 SER A C 1852 O O . SER A 280 ? 0.3637 0.5255 0.3549 -0.1452 -0.0659 -0.0073 326 SER A O 1853 C CB . SER A 280 ? 0.4048 0.5916 0.4141 -0.1571 -0.0882 0.0081 326 SER A CB 1854 O OG . SER A 280 ? 0.4420 0.6237 0.4338 -0.1654 -0.0906 -0.0037 326 SER A OG 1855 N N . PHE A 281 ? 0.3302 0.4753 0.3393 -0.1437 -0.0625 -0.0150 327 PHE A N 1856 C CA . PHE A 281 ? 0.3403 0.4712 0.3368 -0.1386 -0.0541 -0.0260 327 PHE A CA 1857 C C . PHE A 281 ? 0.3654 0.4806 0.3540 -0.1430 -0.0553 -0.0380 327 PHE A C 1858 O O . PHE A 281 ? 0.3609 0.4623 0.3570 -0.1402 -0.0517 -0.0403 327 PHE A O 1859 C CB . PHE A 281 ? 0.3201 0.4456 0.3286 -0.1285 -0.0459 -0.0227 327 PHE A CB 1860 C CG . PHE A 281 ? 0.3299 0.4663 0.3423 -0.1246 -0.0445 -0.0129 327 PHE A CG 1861 C CD1 . PHE A 281 ? 0.3207 0.4655 0.3488 -0.1238 -0.0486 -0.0007 327 PHE A CD1 1862 C CD2 . PHE A 281 ? 0.3344 0.4727 0.3352 -0.1218 -0.0390 -0.0160 327 PHE A CD2 1863 C CE1 . PHE A 281 ? 0.3145 0.4648 0.3450 -0.1206 -0.0482 0.0085 327 PHE A CE1 1864 C CE2 . PHE A 281 ? 0.3170 0.4638 0.3208 -0.1203 -0.0381 -0.0061 327 PHE A CE2 1865 C CZ . PHE A 281 ? 0.3101 0.4606 0.3277 -0.1199 -0.0432 0.0063 327 PHE A CZ 1866 N N . PRO A 282 ? 0.3980 0.5132 0.3697 -0.1507 -0.0608 -0.0456 328 PRO A N 1867 C CA . PRO A 282 ? 0.4297 0.5259 0.3910 -0.1557 -0.0629 -0.0583 328 PRO A CA 1868 C C . PRO A 282 ? 0.4549 0.5313 0.4093 -0.1458 -0.0545 -0.0689 328 PRO A C 1869 O O . PRO A 282 ? 0.4638 0.5442 0.4097 -0.1381 -0.0484 -0.0733 328 PRO A O 1870 C CB . PRO A 282 ? 0.4467 0.5487 0.3876 -0.1642 -0.0696 -0.0654 328 PRO A CB 1871 C CG . PRO A 282 ? 0.4414 0.5639 0.3788 -0.1615 -0.0684 -0.0574 328 PRO A CG 1872 C CD . PRO A 282 ? 0.4090 0.5408 0.3692 -0.1561 -0.0664 -0.0423 328 PRO A CD 1873 N N . PRO A 283 ? 0.4714 0.5274 0.4299 -0.1458 -0.0540 -0.0724 329 PRO A N 1874 C CA . PRO A 283 ? 0.4842 0.5199 0.4368 -0.1351 -0.0475 -0.0818 329 PRO A CA 1875 C C . PRO A 283 ? 0.5188 0.5440 0.4495 -0.1332 -0.0477 -0.0982 329 PRO A C 1876 O O . PRO A 283 ? 0.5287 0.5580 0.4470 -0.1425 -0.0538 -0.1032 329 PRO A O 1877 C CB . PRO A 283 ? 0.4812 0.4965 0.4409 -0.1391 -0.0497 -0.0800 329 PRO A CB 1878 C CG . PRO A 283 ? 0.4595 0.4921 0.4356 -0.1485 -0.0535 -0.0668 329 PRO A CG 1879 C CD . PRO A 283 ? 0.4654 0.5180 0.4363 -0.1552 -0.0592 -0.0661 329 PRO A CD 1880 N N . PRO A 284 ? 0.5327 0.5457 0.4580 -0.1206 -0.0413 -0.1077 330 PRO A N 1881 C CA . PRO A 284 ? 0.5597 0.5674 0.4650 -0.1161 -0.0398 -0.1247 330 PRO A CA 1882 C C . PRO A 284 ? 0.5992 0.5841 0.4883 -0.1243 -0.0476 -0.1369 330 PRO A C 1883 O O . PRO A 284 ? 0.6387 0.6226 0.5090 -0.1231 -0.0474 -0.1511 330 PRO A O 1884 C CB . PRO A 284 ? 0.5493 0.5476 0.4575 -0.0995 -0.0322 -0.1313 330 PRO A CB 1885 C CG . PRO A 284 ? 0.5279 0.5195 0.4542 -0.0976 -0.0318 -0.1186 330 PRO A CG 1886 C CD . PRO A 284 ? 0.5072 0.5171 0.4454 -0.1089 -0.0347 -0.1030 330 PRO A CD 1887 N N . PHE A 285 ? 0.6010 0.5682 0.4956 -0.1338 -0.0543 -0.1320 331 PHE A N 1888 C CA . PHE A 285 ? 0.6419 0.5879 0.5206 -0.1448 -0.0629 -0.1429 331 PHE A CA 1889 C C . PHE A 285 ? 0.6612 0.6275 0.5314 -0.1579 -0.0692 -0.1428 331 PHE A C 1890 O O . PHE A 285 ? 0.7026 0.6543 0.5597 -0.1662 -0.0767 -0.1511 331 PHE A O 1891 C CB . PHE A 285 ? 0.6460 0.5697 0.5332 -0.1542 -0.0686 -0.1364 331 PHE A CB 1892 C CG . PHE A 285 ? 0.6077 0.5538 0.5144 -0.1662 -0.0715 -0.1185 331 PHE A CG 1893 C CD1 . PHE A 285 ? 0.5971 0.5579 0.5042 -0.1793 -0.0792 -0.1149 331 PHE A CD1 1894 C CD2 . PHE A 285 ? 0.5628 0.5154 0.4891 -0.1615 -0.0663 -0.1049 331 PHE A CD2 1895 C CE1 . PHE A 285 ? 0.5646 0.5479 0.4930 -0.1858 -0.0809 -0.0984 331 PHE A CE1 1896 C CE2 . PHE A 285 ? 0.5317 0.5054 0.4764 -0.1709 -0.0682 -0.0902 331 PHE A CE2 1897 C CZ . PHE A 285 ? 0.5339 0.5236 0.4804 -0.1828 -0.0756 -0.0872 331 PHE A CZ 1898 N N . ILE A 286 ? 0.6444 0.6427 0.5227 -0.1579 -0.0667 -0.1316 332 ILE A N 1899 C CA . ILE A 286 ? 0.6641 0.6839 0.5335 -0.1686 -0.0729 -0.1298 332 ILE A CA 1900 C C . ILE A 286 ? 0.7173 0.7486 0.5689 -0.1606 -0.0665 -0.1395 332 ILE A C 1901 O O . ILE A 286 ? 0.6909 0.7389 0.5502 -0.1513 -0.0583 -0.1328 332 ILE A O 1902 C CB . ILE A 286 ? 0.6158 0.6624 0.5060 -0.1737 -0.0754 -0.1096 332 ILE A CB 1903 C CG1 . ILE A 286 ? 0.6117 0.6504 0.5217 -0.1794 -0.0794 -0.1000 332 ILE A CG1 1904 C CG2 . ILE A 286 ? 0.6034 0.6712 0.4863 -0.1801 -0.0816 -0.1044 332 ILE A CG2 1905 C CD1 . ILE A 286 ? 0.6441 0.6780 0.5527 -0.1892 -0.0885 -0.0998 332 ILE A CD1 1906 N N . GLU A 287 ? 0.7802 0.8021 0.6098 -0.1623 -0.0693 -0.1540 333 GLU A N 1907 C CA . GLU A 287 ? 0.8235 0.8588 0.6342 -0.1561 -0.0631 -0.1639 333 GLU A CA 1908 C C . GLU A 287 ? 0.8672 0.9248 0.6700 -0.1657 -0.0688 -0.1550 333 GLU A C 1909 O O . GLU A 287 ? 0.8890 0.9530 0.7029 -0.1754 -0.0776 -0.1416 333 GLU A O 1910 C CB . GLU A 287 ? 0.8809 0.8905 0.6726 -0.1478 -0.0611 -0.1856 333 GLU A CB 1911 C CG . GLU A 287 ? 0.9113 0.9007 0.7082 -0.1344 -0.0540 -0.1959 333 GLU A CG 1912 C CD . GLU A 287 ? 0.9567 0.9059 0.7470 -0.1329 -0.0604 -0.2075 333 GLU A CD 1913 O OE1 . GLU A 287 ? 0.9553 0.8847 0.7586 -0.1323 -0.0619 -0.2035 333 GLU A OE1 1914 O OE2 . GLU A 287 ? 1.0056 0.9422 0.7771 -0.1327 -0.0644 -0.2200 333 GLU A OE2 1915 N N . GLY A 288 ? 0.8740 0.9446 0.6579 -0.1623 -0.0636 -0.1623 334 GLY A N 1916 C CA . GLY A 288 ? 0.8823 0.9736 0.6566 -0.1711 -0.0688 -0.1533 334 GLY A CA 1917 C C . GLY A 288 ? 0.8633 0.9824 0.6484 -0.1731 -0.0662 -0.1348 334 GLY A C 1918 O O . GLY A 288 ? 0.8127 0.9359 0.6131 -0.1681 -0.0607 -0.1291 334 GLY A O 1919 N N . ASN A 289 ? 0.9210 1.0579 0.6969 -0.1806 -0.0712 -0.1250 335 ASN A N 1920 C CA . ASN A 289 ? 0.9437 1.1050 0.7248 -0.1824 -0.0692 -0.1076 335 ASN A CA 1921 C C . ASN A 289 ? 0.8051 0.9710 0.6114 -0.1858 -0.0767 -0.0886 335 ASN A C 1922 O O . ASN A 289 ? 0.7451 0.9260 0.5595 -0.1852 -0.0748 -0.0745 335 ASN A O 1923 C CB . ASN A 289 ? 1.1032 1.2798 0.8628 -0.1887 -0.0714 -0.1044 335 ASN A CB 1924 C CG . ASN A 289 ? 1.2159 1.4127 0.9814 -0.1944 -0.0760 -0.0817 335 ASN A CG 1925 O OD1 . ASN A 289 ? 1.2387 1.4386 1.0072 -0.2011 -0.0874 -0.0711 335 ASN A OD1 1926 N ND2 . ASN A 289 ? 1.2899 1.5005 1.0555 -0.1920 -0.0675 -0.0747 335 ASN A ND2 1927 N N . HIS A 290 ? 0.7378 0.8909 0.5578 -0.1887 -0.0847 -0.0879 336 HIS A N 1928 C CA . HIS A 290 ? 0.6640 0.8215 0.5112 -0.1890 -0.0893 -0.0720 336 HIS A CA 1929 C C . HIS A 290 ? 0.6022 0.7496 0.4655 -0.1820 -0.0820 -0.0749 336 HIS A C 1930 O O . HIS A 290 ? 0.5669 0.7156 0.4536 -0.1813 -0.0845 -0.0637 336 HIS A O 1931 C CB . HIS A 290 ? 0.6807 0.8340 0.5385 -0.1952 -0.1001 -0.0681 336 HIS A CB 1932 C CG . HIS A 290 ? 0.7147 0.8450 0.5718 -0.1961 -0.1002 -0.0825 336 HIS A CG 1933 N ND1 . HIS A 290 ? 0.7232 0.8484 0.5940 -0.2018 -0.1080 -0.0793 336 HIS A ND1 1934 C CD2 . HIS A 290 ? 0.7350 0.8451 0.5793 -0.1919 -0.0937 -0.0999 336 HIS A CD2 1935 C CE1 . HIS A 290 ? 0.7373 0.8387 0.6029 -0.2024 -0.1067 -0.0931 336 HIS A CE1 1936 N NE2 . HIS A 290 ? 0.7447 0.8352 0.5941 -0.1958 -0.0985 -0.1059 336 HIS A NE2 1937 N N . SER A 291 ? 0.5926 0.7308 0.4442 -0.1759 -0.0726 -0.0898 337 SER A N 1938 C CA . SER A 291 ? 0.5596 0.6866 0.4283 -0.1644 -0.0633 -0.0901 337 SER A CA 1939 C C . SER A 291 ? 0.5507 0.6942 0.4291 -0.1582 -0.0565 -0.0771 337 SER A C 1940 O O . SER A 291 ? 0.5696 0.7310 0.4434 -0.1636 -0.0601 -0.0659 337 SER A O 1941 C CB . SER A 291 ? 0.5620 0.6710 0.4178 -0.1565 -0.0558 -0.1099 337 SER A CB 1942 O OG . SER A 291 ? 0.5702 0.6930 0.4115 -0.1513 -0.0473 -0.1157 337 SER A OG 1943 N N . SER A 292 ? 0.5158 0.6522 0.4067 -0.1473 -0.0473 -0.0781 338 SER A N 1944 C CA . SER A 292 ? 0.4636 0.6128 0.3649 -0.1419 -0.0409 -0.0667 338 SER A CA 1945 C C . SER A 292 ? 0.4564 0.6159 0.3438 -0.1373 -0.0310 -0.0751 338 SER A C 1946 O O . SER A 292 ? 0.4474 0.6166 0.3436 -0.1330 -0.0246 -0.0675 338 SER A O 1947 C CB . SER A 292 ? 0.4252 0.5633 0.3492 -0.1336 -0.0372 -0.0621 338 SER A CB 1948 O OG . SER A 292 ? 0.4082 0.5471 0.3485 -0.1375 -0.0443 -0.0489 338 SER A OG 1949 N N . ARG A 293 ? 0.4706 0.6287 0.3369 -0.1383 -0.0295 -0.0911 339 ARG A N 1950 C CA . ARG A 293 ? 0.4904 0.6609 0.3442 -0.1327 -0.0188 -0.1015 339 ARG A CA 1951 C C . ARG A 293 ? 0.4698 0.6653 0.3193 -0.1388 -0.0160 -0.0880 339 ARG A C 1952 O O . ARG A 293 ? 0.4469 0.6552 0.3001 -0.1337 -0.0061 -0.0880 339 ARG A O 1953 C CB . ARG A 293 ? 0.5503 0.7164 0.3795 -0.1339 -0.0188 -0.1211 339 ARG A CB 1954 C CG . ARG A 293 ? 0.6073 0.7921 0.4218 -0.1290 -0.0072 -0.1322 339 ARG A CG 1955 C CD . ARG A 293 ? 0.7081 0.8910 0.4950 -0.1312 -0.0074 -0.1516 339 ARG A CD 1956 N NE . ARG A 293 ? 0.7932 0.9488 0.5803 -0.1213 -0.0078 -0.1703 339 ARG A NE 1957 C CZ . ARG A 293 ? 0.8486 0.9984 0.6436 -0.1058 0.0011 -0.1825 339 ARG A CZ 1958 N NH1 . ARG A 293 ? 0.8481 1.0211 0.6526 -0.0990 0.0119 -0.1788 339 ARG A NH1 1959 N NH2 . ARG A 293 ? 0.8844 1.0049 0.6776 -0.0978 -0.0016 -0.1980 339 ARG A NH2 1960 N N . TRP A 294 ? 0.4712 0.6740 0.3129 -0.1503 -0.0252 -0.0759 340 TRP A N 1961 C CA . TRP A 294 ? 0.4753 0.6982 0.3113 -0.1573 -0.0242 -0.0608 340 TRP A CA 1962 C C . TRP A 294 ? 0.4491 0.6730 0.3077 -0.1524 -0.0199 -0.0477 340 TRP A C 1963 O O . TRP A 294 ? 0.4465 0.6858 0.3021 -0.1540 -0.0127 -0.0426 340 TRP A O 1964 C CB . TRP A 294 ? 0.4798 0.7061 0.3076 -0.1689 -0.0375 -0.0477 340 TRP A CB 1965 C CG . TRP A 294 ? 0.4643 0.6783 0.3152 -0.1677 -0.0470 -0.0363 340 TRP A CG 1966 C CD1 . TRP A 294 ? 0.4633 0.6628 0.3227 -0.1665 -0.0531 -0.0431 340 TRP A CD1 1967 C CD2 . TRP A 294 ? 0.4289 0.6443 0.2977 -0.1674 -0.0509 -0.0169 340 TRP A CD2 1968 N NE1 . TRP A 294 ? 0.4358 0.6313 0.3181 -0.1653 -0.0597 -0.0292 340 TRP A NE1 1969 C CE2 . TRP A 294 ? 0.4114 0.6155 0.2997 -0.1649 -0.0586 -0.0136 340 TRP A CE2 1970 C CE3 . TRP A 294 ? 0.3936 0.6182 0.2635 -0.1694 -0.0489 -0.0021 340 TRP A CE3 1971 C CZ2 . TRP A 294 ? 0.3720 0.5747 0.2809 -0.1625 -0.0636 0.0024 340 TRP A CZ2 1972 C CZ3 . TRP A 294 ? 0.3680 0.5871 0.2573 -0.1675 -0.0550 0.0140 340 TRP A CZ3 1973 C CH2 . TRP A 294 ? 0.3606 0.5693 0.2693 -0.1631 -0.0620 0.0155 340 TRP A CH2 1974 N N . LEU A 295 ? 0.4328 0.6409 0.3133 -0.1470 -0.0239 -0.0431 341 LEU A N 1975 C CA . LEU A 295 ? 0.4256 0.6331 0.3258 -0.1432 -0.0215 -0.0305 341 LEU A CA 1976 C C . LEU A 295 ? 0.4502 0.6569 0.3598 -0.1332 -0.0105 -0.0401 341 LEU A C 1977 O O . LEU A 295 ? 0.4612 0.6775 0.3773 -0.1330 -0.0052 -0.0327 341 LEU A O 1978 C CB . LEU A 295 ? 0.3902 0.5838 0.3095 -0.1416 -0.0301 -0.0213 341 LEU A CB 1979 C CG . LEU A 295 ? 0.3491 0.5387 0.2887 -0.1370 -0.0287 -0.0094 341 LEU A CG 1980 C CD1 . LEU A 295 ? 0.3534 0.5527 0.2892 -0.1439 -0.0321 0.0069 341 LEU A CD1 1981 C CD2 . LEU A 295 ? 0.3127 0.4892 0.2705 -0.1332 -0.0347 -0.0059 341 LEU A CD2 1982 N N . TYR A 296 ? 0.4621 0.6570 0.3726 -0.1251 -0.0077 -0.0559 342 TYR A N 1983 C CA . TYR A 296 ? 0.4606 0.6544 0.3814 -0.1141 0.0012 -0.0643 342 TYR A CA 1984 C C . TYR A 296 ? 0.4938 0.7093 0.4033 -0.1132 0.0110 -0.0722 342 TYR A C 1985 O O . TYR A 296 ? 0.4916 0.7181 0.4117 -0.1087 0.0181 -0.0709 342 TYR A O 1986 C CB . TYR A 296 ? 0.4395 0.6122 0.3632 -0.1054 0.0003 -0.0780 342 TYR A CB 1987 C CG . TYR A 296 ? 0.4125 0.5665 0.3496 -0.1063 -0.0074 -0.0701 342 TYR A CG 1988 C CD1 . TYR A 296 ? 0.3867 0.5430 0.3385 -0.1088 -0.0101 -0.0540 342 TYR A CD1 1989 C CD2 . TYR A 296 ? 0.4135 0.5475 0.3482 -0.1050 -0.0119 -0.0789 342 TYR A CD2 1990 C CE1 . TYR A 296 ? 0.3694 0.5121 0.3341 -0.1090 -0.0158 -0.0477 342 TYR A CE1 1991 C CE2 . TYR A 296 ? 0.4001 0.5205 0.3476 -0.1071 -0.0179 -0.0712 342 TYR A CE2 1992 C CZ . TYR A 296 ? 0.3768 0.5033 0.3396 -0.1086 -0.0193 -0.0559 342 TYR A CZ 1993 O OH . TYR A 296 ? 0.3507 0.4673 0.3266 -0.1101 -0.0240 -0.0492 342 TYR A OH 1994 N N . GLU A 297 ? 0.5175 0.7412 0.4057 -0.1180 0.0115 -0.0808 343 GLU A N 1995 C CA . GLU A 297 ? 0.5486 0.7969 0.4245 -0.1184 0.0217 -0.0884 343 GLU A CA 1996 C C . GLU A 297 ? 0.5132 0.7816 0.3923 -0.1275 0.0244 -0.0712 343 GLU A C 1997 O O . GLU A 297 ? 0.5042 0.7914 0.3890 -0.1249 0.0340 -0.0731 343 GLU A O 1998 C CB . GLU A 297 ? 0.6134 0.8667 0.4630 -0.1241 0.0206 -0.0988 343 GLU A CB 1999 C CG . GLU A 297 ? 0.6921 0.9576 0.5312 -0.1155 0.0315 -0.1196 343 GLU A CG 2000 C CD . GLU A 297 ? 0.7606 1.0011 0.6012 -0.1031 0.0296 -0.1380 343 GLU A CD 2001 O OE1 . GLU A 297 ? 0.7977 1.0180 0.6287 -0.1076 0.0202 -0.1408 343 GLU A OE1 2002 O OE2 . GLU A 297 ? 0.7808 1.0212 0.6328 -0.0891 0.0368 -0.1491 343 GLU A OE2 2003 N N . ALA A 298 ? 0.4938 0.7584 0.3698 -0.1384 0.0154 -0.0540 344 ALA A N 2004 C CA . ALA A 298 ? 0.4659 0.7443 0.3433 -0.1480 0.0162 -0.0363 344 ALA A CA 2005 C C . ALA A 298 ? 0.4425 0.7176 0.3437 -0.1422 0.0195 -0.0309 344 ALA A C 2006 O O . ALA A 298 ? 0.4450 0.7374 0.3486 -0.1468 0.0260 -0.0251 344 ALA A O 2007 C CB . ALA A 298 ? 0.4547 0.7248 0.3261 -0.1583 0.0039 -0.0190 344 ALA A CB 2008 N N . MET A 299 ? 0.4166 0.6705 0.3346 -0.1329 0.0152 -0.0331 345 MET A N 2009 C CA . MET A 299 ? 0.3929 0.6432 0.3316 -0.1267 0.0182 -0.0300 345 MET A CA 2010 C C . MET A 299 ? 0.3804 0.6476 0.3228 -0.1194 0.0292 -0.0432 345 MET A C 2011 O O . MET A 299 ? 0.3626 0.6425 0.3154 -0.1209 0.0339 -0.0379 345 MET A O 2012 C CB . MET A 299 ? 0.3630 0.5884 0.3160 -0.1184 0.0121 -0.0310 345 MET A CB 2013 C CG . MET A 299 ? 0.3565 0.5689 0.3120 -0.1242 0.0017 -0.0170 345 MET A CG 2014 S SD . MET A 299 ? 0.3531 0.5413 0.3226 -0.1158 -0.0041 -0.0203 345 MET A SD 2015 C CE . MET A 299 ? 0.3417 0.5237 0.3179 -0.1221 -0.0143 -0.0019 345 MET A CE 2016 N N . ALA A 300 ? 0.3824 0.6506 0.3168 -0.1112 0.0331 -0.0608 346 ALA A N 2017 C CA . ALA A 300 ? 0.3767 0.6619 0.3163 -0.1016 0.0433 -0.0747 346 ALA A CA 2018 C C . ALA A 300 ? 0.3821 0.7006 0.3151 -0.1105 0.0521 -0.0715 346 ALA A C 2019 O O . ALA A 300 ? 0.3760 0.7141 0.3214 -0.1065 0.0597 -0.0745 346 ALA A O 2020 C CB . ALA A 300 ? 0.3800 0.6570 0.3101 -0.0908 0.0449 -0.0947 346 ALA A CB 2021 N N . LYS A 301 ? 0.3924 0.7191 0.3059 -0.1234 0.0508 -0.0647 347 LYS A N 2022 C CA . LYS A 301 ? 0.4146 0.7728 0.3196 -0.1346 0.0589 -0.0590 347 LYS A CA 2023 C C . LYS A 301 ? 0.4149 0.7749 0.3312 -0.1455 0.0561 -0.0386 347 LYS A C 2024 O O . LYS A 301 ? 0.4339 0.8192 0.3555 -0.1508 0.0642 -0.0359 347 LYS A O 2025 C CB . LYS A 301 ? 0.4462 0.8115 0.3236 -0.1453 0.0578 -0.0583 347 LYS A CB 2026 C CG . LYS A 301 ? 0.4840 0.8690 0.3517 -0.1618 0.0595 -0.0424 347 LYS A CG 2027 C CD . LYS A 301 ? 0.5304 0.9170 0.3737 -0.1696 0.0558 -0.0422 347 LYS A CD 2028 C CE . LYS A 301 ? 0.5635 0.9759 0.4017 -0.1727 0.0643 -0.0466 347 LYS A CE 2029 N NZ . LYS A 301 ? 0.6041 1.0183 0.4189 -0.1768 0.0627 -0.0519 347 LYS A NZ 2030 N N . ALA A 302 ? 0.4003 0.7338 0.3212 -0.1485 0.0447 -0.0250 348 ALA A N 2031 C CA . ALA A 302 ? 0.3873 0.7167 0.3182 -0.1578 0.0406 -0.0066 348 ALA A CA 2032 C C . ALA A 302 ? 0.3869 0.7161 0.3410 -0.1499 0.0438 -0.0096 348 ALA A C 2033 O O . ALA A 302 ? 0.3870 0.7237 0.3483 -0.1588 0.0446 0.0016 348 ALA A O 2034 C CB . ALA A 302 ? 0.3653 0.6664 0.2955 -0.1605 0.0275 0.0067 348 ALA A CB 2035 N N . TRP A 303 ? 0.3773 0.6968 0.3422 -0.1343 0.0446 -0.0239 349 TRP A N 2036 C CA . TRP A 303 ? 0.3547 0.6711 0.3406 -0.1260 0.0456 -0.0263 349 TRP A CA 2037 C C . TRP A 303 ? 0.3736 0.7129 0.3668 -0.1155 0.0552 -0.0425 349 TRP A C 2038 O O . TRP A 303 ? 0.3781 0.7150 0.3883 -0.1061 0.0552 -0.0468 349 TRP A O 2039 C CB . TRP A 303 ? 0.3188 0.6034 0.3131 -0.1162 0.0374 -0.0271 349 TRP A CB 2040 C CG . TRP A 303 ? 0.2990 0.5630 0.2898 -0.1240 0.0280 -0.0124 349 TRP A CG 2041 C CD1 . TRP A 303 ? 0.3010 0.5677 0.2869 -0.1373 0.0249 0.0032 349 TRP A CD1 2042 C CD2 . TRP A 303 ? 0.2888 0.5274 0.2814 -0.1186 0.0202 -0.0117 349 TRP A CD2 2043 N NE1 . TRP A 303 ? 0.2949 0.5390 0.2803 -0.1386 0.0154 0.0129 349 TRP A NE1 2044 C CE2 . TRP A 303 ? 0.2912 0.5200 0.2815 -0.1275 0.0128 0.0038 349 TRP A CE2 2045 C CE3 . TRP A 303 ? 0.2823 0.5056 0.2785 -0.1076 0.0186 -0.0222 349 TRP A CE3 2046 C CZ2 . TRP A 303 ? 0.2857 0.4939 0.2791 -0.1247 0.0046 0.0081 349 TRP A CZ2 2047 C CZ3 . TRP A 303 ? 0.2756 0.4784 0.2738 -0.1070 0.0108 -0.0170 349 TRP A CZ3 2048 C CH2 . TRP A 303 ? 0.2746 0.4719 0.2724 -0.1150 0.0043 -0.0025 349 TRP A CH2 2049 N N . GLU A 304 ? 0.3885 0.7502 0.3689 -0.1162 0.0630 -0.0521 350 GLU A N 2050 C CA . GLU A 304 ? 0.3959 0.7849 0.3845 -0.1061 0.0731 -0.0674 350 GLU A CA 2051 C C . GLU A 304 ? 0.3783 0.7871 0.3853 -0.1093 0.0759 -0.0612 350 GLU A C 2052 O O . GLU A 304 ? 0.3454 0.7623 0.3683 -0.0957 0.0785 -0.0719 350 GLU A O 2053 C CB . GLU A 304 ? 0.4294 0.8419 0.3993 -0.1092 0.0813 -0.0764 350 GLU A CB 2054 C CG . GLU A 304 ? 0.4761 0.9074 0.4537 -0.0940 0.0886 -0.0946 350 GLU A CG 2055 C CD . GLU A 304 ? 0.5330 0.9882 0.5259 -0.0967 0.0916 -0.0895 350 GLU A CD 2056 O OE1 . GLU A 304 ? 0.5594 1.0214 0.5472 -0.1132 0.0899 -0.0741 350 GLU A OE1 2057 O OE2 . GLU A 304 ? 0.5490 1.0147 0.5588 -0.0822 0.0946 -0.1004 350 GLU A OE2 2058 N N . PRO A 305 ? 0.4009 0.8096 0.4053 -0.1246 0.0720 -0.0444 351 PRO A N 2059 C CA . PRO A 305 ? 0.3911 0.8086 0.4107 -0.1262 0.0713 -0.0391 351 PRO A CA 2060 C C . PRO A 305 ? 0.3758 0.7795 0.4144 -0.1170 0.0671 -0.0404 351 PRO A C 2061 O O . PRO A 305 ? 0.3858 0.8014 0.4385 -0.1127 0.0679 -0.0426 351 PRO A O 2062 C CB . PRO A 305 ? 0.4018 0.8104 0.4115 -0.1445 0.0657 -0.0199 351 PRO A CB 2063 C CG . PRO A 305 ? 0.4237 0.8260 0.4130 -0.1522 0.0644 -0.0155 351 PRO A CG 2064 C CD . PRO A 305 ? 0.4237 0.8284 0.4085 -0.1404 0.0689 -0.0314 351 PRO A CD 2065 N N . TRP A 306 ? 0.3550 0.7351 0.3945 -0.1142 0.0622 -0.0388 352 TRP A N 2066 C CA . TRP A 306 ? 0.3217 0.6858 0.3774 -0.1075 0.0568 -0.0381 352 TRP A CA 2067 C C . TRP A 306 ? 0.3408 0.6930 0.4015 -0.0877 0.0559 -0.0528 352 TRP A C 2068 O O . TRP A 306 ? 0.3457 0.6906 0.4200 -0.0796 0.0523 -0.0544 352 TRP A O 2069 C CB . TRP A 306 ? 0.2852 0.6152 0.3353 -0.1140 0.0472 -0.0251 352 TRP A CB 2070 C CG . TRP A 306 ? 0.2661 0.5927 0.3101 -0.1299 0.0438 -0.0092 352 TRP A CG 2071 C CD1 . TRP A 306 ? 0.2596 0.5962 0.3056 -0.1363 0.0444 -0.0039 352 TRP A CD1 2072 C CD2 . TRP A 306 ? 0.2512 0.5569 0.2843 -0.1394 0.0373 0.0035 352 TRP A CD2 2073 N NE1 . TRP A 306 ? 0.2695 0.5912 0.3056 -0.1494 0.0389 0.0112 352 TRP A NE1 2074 C CE2 . TRP A 306 ? 0.2665 0.5689 0.2948 -0.1506 0.0342 0.0161 352 TRP A CE2 2075 C CE3 . TRP A 306 ? 0.2397 0.5239 0.2655 -0.1366 0.0320 0.0052 352 TRP A CE3 2076 C CZ2 . TRP A 306 ? 0.2803 0.5630 0.2986 -0.1604 0.0269 0.0306 352 TRP A CZ2 2077 C CZ3 . TRP A 306 ? 0.2162 0.4847 0.2338 -0.1469 0.0250 0.0198 352 TRP A CZ3 2078 C CH2 . TRP A 306 ? 0.2826 0.5507 0.2967 -0.1587 0.0227 0.0325 352 TRP A CH2 2079 N N . LEU A 307 ? 0.3538 0.7011 0.4023 -0.0805 0.0581 -0.0629 353 LEU A N 2080 C CA . LEU A 307 ? 0.3577 0.6844 0.4082 -0.0634 0.0551 -0.0748 353 LEU A CA 2081 C C . LEU A 307 ? 0.3814 0.7300 0.4350 -0.0498 0.0625 -0.0919 353 LEU A C 2082 O O . LEU A 307 ? 0.3987 0.7707 0.4434 -0.0534 0.0701 -0.0976 353 LEU A O 2083 C CB . LEU A 307 ? 0.3541 0.6519 0.3887 -0.0644 0.0498 -0.0743 353 LEU A CB 2084 C CG . LEU A 307 ? 0.3357 0.6024 0.3714 -0.0679 0.0407 -0.0631 353 LEU A CG 2085 C CD1 . LEU A 307 ? 0.3188 0.5878 0.3672 -0.0739 0.0384 -0.0516 353 LEU A CD1 2086 C CD2 . LEU A 307 ? 0.3332 0.5890 0.3542 -0.0784 0.0371 -0.0558 353 LEU A CD2 2087 N N . PRO A 308 ? 0.3720 0.7136 0.4376 -0.0336 0.0602 -0.1006 354 PRO A N 2088 C CA . PRO A 308 ? 0.3801 0.7388 0.4494 -0.0175 0.0662 -0.1182 354 PRO A CA 2089 C C . PRO A 308 ? 0.4101 0.7507 0.4608 -0.0120 0.0667 -0.1295 354 PRO A C 2090 O O . PRO A 308 ? 0.4074 0.7196 0.4446 -0.0190 0.0609 -0.1239 354 PRO A O 2091 C CB . PRO A 308 ? 0.3625 0.7088 0.4473 -0.0019 0.0602 -0.1216 354 PRO A CB 2092 C CG . PRO A 308 ? 0.3413 0.6728 0.4316 -0.0123 0.0531 -0.1056 354 PRO A CG 2093 C CD . PRO A 308 ? 0.3451 0.6618 0.4202 -0.0286 0.0518 -0.0949 354 PRO A CD 2094 N N . ALA A 309 ? 0.4305 0.7888 0.4816 0.0014 0.0734 -0.1467 355 ALA A N 2095 C CA . ALA A 309 ? 0.4407 0.7835 0.4731 0.0075 0.0745 -0.1605 355 ALA A CA 2096 C C . ALA A 309 ? 0.4597 0.7555 0.4861 0.0142 0.0639 -0.1613 355 ALA A C 2097 O O . ALA A 309 ? 0.4773 0.7509 0.4855 0.0083 0.0608 -0.1629 355 ALA A O 2098 C CB . ALA A 309 ? 0.4363 0.8047 0.4730 0.0244 0.0832 -0.1805 355 ALA A CB 2099 N N . GLU A 310 ? 0.4615 0.7422 0.5021 0.0253 0.0580 -0.1597 356 GLU A N 2100 C CA . GLU A 310 ? 0.4892 0.7256 0.5232 0.0298 0.0482 -0.1590 356 GLU A CA 2101 C C . GLU A 310 ? 0.4653 0.6832 0.4921 0.0122 0.0428 -0.1428 356 GLU A C 2102 O O . GLU A 310 ? 0.4697 0.6581 0.4837 0.0092 0.0374 -0.1435 356 GLU A O 2103 C CB . GLU A 310 ? 0.5246 0.7498 0.5739 0.0448 0.0427 -0.1594 356 GLU A CB 2104 C CG . GLU A 310 ? 0.5448 0.7866 0.6119 0.0407 0.0414 -0.1461 356 GLU A CG 2105 C CD . GLU A 310 ? 0.5620 0.7806 0.6263 0.0274 0.0347 -0.1296 356 GLU A CD 2106 O OE1 . GLU A 310 ? 0.5577 0.7932 0.6274 0.0144 0.0364 -0.1181 356 GLU A OE1 2107 O OE2 . GLU A 310 ? 0.5815 0.7648 0.6381 0.0300 0.0278 -0.1284 356 GLU A OE2 2108 N N . ALA A 311 ? 0.4174 0.6526 0.4525 0.0003 0.0439 -0.1286 357 ALA A N 2109 C CA . ALA A 311 ? 0.3955 0.6146 0.4249 -0.0147 0.0388 -0.1141 357 ALA A CA 2110 C C . ALA A 311 ? 0.4048 0.6248 0.4167 -0.0252 0.0402 -0.1151 357 ALA A C 2111 O O . ALA A 311 ? 0.4088 0.6048 0.4116 -0.0307 0.0342 -0.1115 357 ALA A O 2112 C CB . ALA A 311 ? 0.3560 0.5917 0.3972 -0.0242 0.0394 -0.0999 357 ALA A CB 2113 N N . LEU A 312 ? 0.4170 0.6660 0.4236 -0.0283 0.0479 -0.1202 358 LEU A N 2114 C CA . LEU A 312 ? 0.4378 0.6894 0.4256 -0.0392 0.0488 -0.1205 358 LEU A CA 2115 C C . LEU A 312 ? 0.4984 0.7244 0.4720 -0.0332 0.0449 -0.1332 358 LEU A C 2116 O O . LEU A 312 ? 0.5199 0.7345 0.4797 -0.0436 0.0404 -0.1295 358 LEU A O 2117 C CB . LEU A 312 ? 0.4085 0.6974 0.3915 -0.0428 0.0589 -0.1253 358 LEU A CB 2118 C CG . LEU A 312 ? 0.3725 0.6858 0.3658 -0.0541 0.0619 -0.1103 358 LEU A CG 2119 C CD1 . LEU A 312 ? 0.3690 0.7223 0.3590 -0.0572 0.0732 -0.1162 358 LEU A CD1 2120 C CD2 . LEU A 312 ? 0.3536 0.6543 0.3403 -0.0704 0.0551 -0.0922 358 LEU A CD2 2121 N N . ARG A 313 ? 0.5276 0.7434 0.5044 -0.0170 0.0456 -0.1479 359 ARG A N 2122 C CA . ARG A 313 ? 0.5713 0.7585 0.5339 -0.0116 0.0411 -0.1605 359 ARG A CA 2123 C C . ARG A 313 ? 0.5392 0.6935 0.5007 -0.0190 0.0309 -0.1500 359 ARG A C 2124 O O . ARG A 313 ? 0.5301 0.6698 0.4771 -0.0275 0.0263 -0.1512 359 ARG A O 2125 C CB . ARG A 313 ? 0.6347 0.8147 0.6025 0.0087 0.0428 -0.1772 359 ARG A CB 2126 C CG . ARG A 313 ? 0.7136 0.8510 0.6727 0.0157 0.0345 -0.1855 359 ARG A CG 2127 C CD . ARG A 313 ? 0.7699 0.8921 0.7403 0.0356 0.0323 -0.1936 359 ARG A CD 2128 N NE . ARG A 313 ? 0.7836 0.9013 0.7711 0.0366 0.0282 -0.1789 359 ARG A NE 2129 C CZ . ARG A 313 ? 0.8012 0.9258 0.8039 0.0518 0.0287 -0.1814 359 ARG A CZ 2130 N NH1 . ARG A 313 ? 0.8265 0.9644 0.8317 0.0683 0.0335 -0.1981 359 ARG A NH1 2131 N NH2 . ARG A 313 ? 0.7859 0.9057 0.8011 0.0508 0.0243 -0.1679 359 ARG A NH2 2132 N N . THR A 314 ? 0.5179 0.6624 0.4946 -0.0164 0.0274 -0.1397 360 THR A N 2133 C CA . THR A 314 ? 0.5067 0.6243 0.4839 -0.0236 0.0192 -0.1291 360 THR A CA 2134 C C . THR A 314 ? 0.4636 0.5900 0.4375 -0.0400 0.0174 -0.1160 360 THR A C 2135 O O . THR A 314 ? 0.4492 0.5587 0.4165 -0.0480 0.0112 -0.1127 360 THR A O 2136 C CB . THR A 314 ? 0.5189 0.6288 0.5119 -0.0177 0.0171 -0.1208 360 THR A CB 2137 O OG1 . THR A 314 ? 0.5545 0.6664 0.5534 -0.0016 0.0195 -0.1314 360 THR A OG1 2138 C CG2 . THR A 314 ? 0.5253 0.6038 0.5166 -0.0208 0.0096 -0.1153 360 THR A CG2 2139 N N . LEU A 315 ? 0.4418 0.5950 0.4207 -0.0453 0.0220 -0.1082 361 LEU A N 2140 C CA . LEU A 315 ? 0.4297 0.5906 0.4058 -0.0596 0.0194 -0.0947 361 LEU A CA 2141 C C . LEU A 315 ? 0.4550 0.6150 0.4131 -0.0674 0.0170 -0.0994 361 LEU A C 2142 O O . LEU A 315 ? 0.4564 0.6081 0.4117 -0.0769 0.0104 -0.0907 361 LEU A O 2143 C CB . LEU A 315 ? 0.4078 0.5962 0.3899 -0.0640 0.0250 -0.0869 361 LEU A CB 2144 C CG . LEU A 315 ? 0.3867 0.5825 0.3652 -0.0780 0.0219 -0.0720 361 LEU A CG 2145 C CD1 . LEU A 315 ? 0.3559 0.5366 0.3471 -0.0800 0.0161 -0.0592 361 LEU A CD1 2146 C CD2 . LEU A 315 ? 0.3811 0.6050 0.3583 -0.0839 0.0284 -0.0678 361 LEU A CD2 2147 N N . ARG A 316 ? 0.4677 0.6376 0.4134 -0.0632 0.0221 -0.1138 362 ARG A N 2148 C CA . ARG A 316 ? 0.4820 0.6512 0.4077 -0.0707 0.0198 -0.1201 362 ARG A CA 2149 C C . ARG A 316 ? 0.5031 0.6424 0.4238 -0.0719 0.0111 -0.1243 362 ARG A C 2150 O O . ARG A 316 ? 0.5106 0.6468 0.4190 -0.0824 0.0054 -0.1229 362 ARG A O 2151 C CB . ARG A 316 ? 0.4836 0.6683 0.3968 -0.0640 0.0279 -0.1374 362 ARG A CB 2152 C CG . ARG A 316 ? 0.4869 0.7063 0.3983 -0.0695 0.0360 -0.1323 362 ARG A CG 2153 C CD . ARG A 316 ? 0.5301 0.7682 0.4289 -0.0625 0.0454 -0.1509 362 ARG A CD 2154 N NE . ARG A 316 ? 0.5502 0.8046 0.4646 -0.0494 0.0539 -0.1575 362 ARG A NE 2155 C CZ . ARG A 316 ? 0.5452 0.8348 0.4638 -0.0520 0.0633 -0.1548 362 ARG A CZ 2156 N NH1 . ARG A 316 ? 0.5437 0.8532 0.4496 -0.0676 0.0654 -0.1450 362 ARG A NH1 2157 N NH2 . ARG A 316 ? 0.5360 0.8415 0.4713 -0.0395 0.0700 -0.1613 362 ARG A NH2 2158 N N . ILE A 317 ? 0.4988 0.6162 0.4287 -0.0623 0.0095 -0.1284 363 ILE A N 2159 C CA . ILE A 317 ? 0.4979 0.5857 0.4222 -0.0645 0.0016 -0.1326 363 ILE A CA 2160 C C . ILE A 317 ? 0.4724 0.5540 0.4065 -0.0751 -0.0051 -0.1161 363 ILE A C 2161 O O . ILE A 317 ? 0.4877 0.5636 0.4145 -0.0857 -0.0117 -0.1141 363 ILE A O 2162 C CB . ILE A 317 ? 0.5055 0.5705 0.4335 -0.0505 0.0020 -0.1431 363 ILE A CB 2163 C CG1 . ILE A 317 ? 0.5299 0.5978 0.4456 -0.0396 0.0071 -0.1630 363 ILE A CG1 2164 C CG2 . ILE A 317 ? 0.5135 0.5460 0.4395 -0.0551 -0.0066 -0.1419 363 ILE A CG2 2165 C CD1 . ILE A 317 ? 0.5392 0.5872 0.4600 -0.0226 0.0075 -0.1736 363 ILE A CD1 2166 N N . GLY A 318 ? 0.4368 0.5210 0.3878 -0.0722 -0.0036 -0.1046 364 GLY A N 2167 C CA . GLY A 318 ? 0.4194 0.4965 0.3804 -0.0799 -0.0092 -0.0912 364 GLY A CA 2168 C C . GLY A 318 ? 0.4051 0.4979 0.3802 -0.0813 -0.0072 -0.0767 364 GLY A C 2169 O O . GLY A 318 ? 0.4021 0.4892 0.3879 -0.0846 -0.0104 -0.0666 364 GLY A O 2170 N N . GLY A 319 ? 0.3969 0.5094 0.3718 -0.0794 -0.0018 -0.0758 365 GLY A N 2171 C CA . GLY A 319 ? 0.3776 0.5027 0.3639 -0.0820 -0.0007 -0.0624 365 GLY A CA 2172 C C . GLY A 319 ? 0.3597 0.4786 0.3603 -0.0747 0.0014 -0.0588 365 GLY A C 2173 O O . GLY A 319 ? 0.3429 0.4651 0.3533 -0.0775 0.0003 -0.0475 365 GLY A O 2174 N N . PHE A 320 ? 0.3615 0.4705 0.3628 -0.0650 0.0036 -0.0682 366 PHE A N 2175 C CA . PHE A 320 ? 0.3508 0.4560 0.3638 -0.0575 0.0053 -0.0656 366 PHE A CA 2176 C C . PHE A 320 ? 0.3567 0.4703 0.3698 -0.0471 0.0101 -0.0760 366 PHE A C 2177 O O . PHE A 320 ? 0.3774 0.4950 0.3811 -0.0442 0.0122 -0.0870 366 PHE A O 2178 C CB . PHE A 320 ? 0.3523 0.4339 0.3678 -0.0556 0.0013 -0.0642 366 PHE A CB 2179 C CG . PHE A 320 ? 0.3692 0.4322 0.3743 -0.0533 -0.0013 -0.0743 366 PHE A CG 2180 C CD1 . PHE A 320 ? 0.3675 0.4192 0.3706 -0.0421 -0.0006 -0.0837 366 PHE A CD1 2181 C CD2 . PHE A 320 ? 0.3808 0.4362 0.3785 -0.0624 -0.0056 -0.0744 366 PHE A CD2 2182 C CE1 . PHE A 320 ? 0.3953 0.4252 0.3877 -0.0399 -0.0039 -0.0932 366 PHE A CE1 2183 C CE2 . PHE A 320 ? 0.3892 0.4245 0.3763 -0.0618 -0.0088 -0.0840 366 PHE A CE2 2184 C CZ . PHE A 320 ? 0.4016 0.4224 0.3853 -0.0505 -0.0080 -0.0935 366 PHE A CZ 2185 N N . TYR A 321 ? 0.3332 0.4511 0.3573 -0.0411 0.0117 -0.0732 367 TYR A N 2186 C CA . TYR A 321 ? 0.3316 0.4616 0.3596 -0.0304 0.0157 -0.0823 367 TYR A CA 2187 C C . TYR A 321 ? 0.3100 0.4377 0.3500 -0.0243 0.0143 -0.0778 367 TYR A C 2188 O O . TYR A 321 ? 0.3065 0.4271 0.3509 -0.0297 0.0117 -0.0676 367 TYR A O 2189 C CB . TYR A 321 ? 0.3332 0.4933 0.3611 -0.0345 0.0218 -0.0835 367 TYR A CB 2190 C CG . TYR A 321 ? 0.3381 0.5107 0.3731 -0.0446 0.0220 -0.0701 367 TYR A CG 2191 C CD1 . TYR A 321 ? 0.3360 0.5188 0.3837 -0.0420 0.0230 -0.0665 367 TYR A CD1 2192 C CD2 . TYR A 321 ? 0.3335 0.5062 0.3626 -0.0566 0.0201 -0.0610 367 TYR A CD2 2193 C CE1 . TYR A 321 ? 0.3200 0.5102 0.3731 -0.0517 0.0224 -0.0549 367 TYR A CE1 2194 C CE2 . TYR A 321 ? 0.3254 0.5053 0.3605 -0.0650 0.0193 -0.0487 367 TYR A CE2 2195 C CZ . TYR A 321 ? 0.3082 0.4957 0.3548 -0.0628 0.0206 -0.0460 367 TYR A CZ 2196 O OH . TYR A 321 ? 0.2695 0.4608 0.3210 -0.0715 0.0192 -0.0347 367 TYR A OH 2197 N N . ALA A 322 ? 0.3055 0.4409 0.3508 -0.0126 0.0160 -0.0860 368 ALA A N 2198 C CA . ALA A 322 ? 0.3024 0.4414 0.3592 -0.0068 0.0144 -0.0824 368 ALA A CA 2199 C C . ALA A 322 ? 0.3312 0.5016 0.3978 -0.0019 0.0193 -0.0878 368 ALA A C 2200 O O . ALA A 322 ? 0.3379 0.5219 0.4014 0.0021 0.0239 -0.0976 368 ALA A O 2201 C CB . ALA A 322 ? 0.2990 0.4129 0.3543 0.0044 0.0090 -0.0857 368 ALA A CB 2202 N N . LEU A 323 ? 0.3216 0.5049 0.3997 -0.0030 0.0186 -0.0817 369 LEU A N 2203 C CA . LEU A 323 ? 0.2961 0.5123 0.3863 0.0006 0.0228 -0.0860 369 LEU A CA 2204 C C . LEU A 323 ? 0.2770 0.4972 0.3791 0.0027 0.0184 -0.0806 369 LEU A C 2205 O O . LEU A 323 ? 0.2650 0.4631 0.3642 0.0003 0.0130 -0.0735 369 LEU A O 2206 C CB . LEU A 323 ? 0.2835 0.5249 0.3728 -0.0128 0.0291 -0.0825 369 LEU A CB 2207 C CG . LEU A 323 ? 0.2812 0.5164 0.3674 -0.0291 0.0274 -0.0688 369 LEU A CG 2208 C CD1 . LEU A 323 ? 0.2590 0.5029 0.3570 -0.0339 0.0248 -0.0612 369 LEU A CD1 2209 C CD2 . LEU A 323 ? 0.2769 0.5275 0.3552 -0.0410 0.0325 -0.0662 369 LEU A CD2 2210 N N . SER A 324 ? 0.2659 0.5170 0.3816 0.0066 0.0209 -0.0846 370 SER A N 2211 C CA . SER A 324 ? 0.2607 0.5200 0.3886 0.0091 0.0160 -0.0809 370 SER A CA 2212 C C . SER A 324 ? 0.2658 0.5524 0.4026 -0.0052 0.0188 -0.0745 370 SER A C 2213 O O . SER A 324 ? 0.2760 0.5968 0.4233 -0.0053 0.0241 -0.0790 370 SER A O 2214 C CB . SER A 324 ? 0.2557 0.5282 0.3947 0.0273 0.0143 -0.0909 370 SER A CB 2215 O OG . SER A 324 ? 0.2739 0.5163 0.4032 0.0400 0.0105 -0.0962 370 SER A OG 2216 N N . PRO A 325 ? 0.2577 0.5305 0.3904 -0.0180 0.0157 -0.0641 371 PRO A N 2217 C CA . PRO A 325 ? 0.2489 0.5438 0.3895 -0.0324 0.0170 -0.0576 371 PRO A CA 2218 C C . PRO A 325 ? 0.2559 0.5766 0.4130 -0.0285 0.0143 -0.0602 371 PRO A C 2219 O O . PRO A 325 ? 0.2506 0.6039 0.4183 -0.0366 0.0183 -0.0598 371 PRO A O 2220 C CB . PRO A 325 ? 0.2383 0.5052 0.3701 -0.0425 0.0124 -0.0479 371 PRO A CB 2221 C CG . PRO A 325 ? 0.2397 0.4772 0.3587 -0.0366 0.0117 -0.0487 371 PRO A CG 2222 C CD . PRO A 325 ? 0.2448 0.4820 0.3651 -0.0205 0.0115 -0.0583 371 PRO A CD 2223 N N . TYR A 326 ? 0.2674 0.5756 0.4270 -0.0172 0.0073 -0.0621 372 TYR A N 2224 C CA . TYR A 326 ? 0.2762 0.6054 0.4508 -0.0125 0.0022 -0.0638 372 TYR A CA 2225 C C . TYR A 326 ? 0.2875 0.6111 0.4649 0.0082 -0.0019 -0.0713 372 TYR A C 2226 O O . TYR A 326 ? 0.3040 0.5979 0.4685 0.0161 -0.0027 -0.0729 372 TYR A O 2227 C CB . TYR A 326 ? 0.2763 0.5902 0.4482 -0.0211 -0.0056 -0.0563 372 TYR A CB 2228 C CG . TYR A 326 ? 0.2757 0.5876 0.4440 -0.0406 -0.0043 -0.0485 372 TYR A CG 2229 C CD1 . TYR A 326 ? 0.2765 0.6198 0.4557 -0.0530 -0.0006 -0.0468 372 TYR A CD1 2230 C CD2 . TYR A 326 ? 0.2854 0.5638 0.4399 -0.0466 -0.0073 -0.0427 372 TYR A CD2 2231 C CE1 . TYR A 326 ? 0.2975 0.6277 0.4686 -0.0700 -0.0008 -0.0380 372 TYR A CE1 2232 C CE2 . TYR A 326 ? 0.2989 0.5719 0.4500 -0.0629 -0.0073 -0.0359 372 TYR A CE2 2233 C CZ . TYR A 326 ? 0.3103 0.6109 0.4710 -0.0755 -0.0046 -0.0336 372 TYR A CZ 2234 O OH . TYR A 326 ? 0.3312 0.6171 0.4846 -0.0904 -0.0056 -0.0256 372 TYR A OH 2235 N N . PRO A 327 ? 0.2917 0.6420 0.4856 0.0170 -0.0056 -0.0754 373 PRO A N 2236 C CA . PRO A 327 ? 0.3059 0.6447 0.5014 0.0369 -0.0129 -0.0801 373 PRO A CA 2237 C C . PRO A 327 ? 0.3123 0.6116 0.4920 0.0359 -0.0209 -0.0730 373 PRO A C 2238 O O . PRO A 327 ? 0.3196 0.6154 0.4969 0.0239 -0.0246 -0.0661 373 PRO A O 2239 C CB . PRO A 327 ? 0.2955 0.6735 0.5133 0.0422 -0.0171 -0.0829 373 PRO A CB 2240 C CG . PRO A 327 ? 0.2858 0.7012 0.5149 0.0281 -0.0081 -0.0833 373 PRO A CG 2241 C CD . PRO A 327 ? 0.2818 0.6760 0.4947 0.0092 -0.0034 -0.0759 373 PRO A CD 2242 N N . GLY A 328 ? 0.3190 0.5879 0.4868 0.0477 -0.0232 -0.0748 374 GLY A N 2243 C CA . GLY A 328 ? 0.3194 0.5527 0.4715 0.0464 -0.0299 -0.0678 374 GLY A CA 2244 C C . GLY A 328 ? 0.3146 0.5246 0.4516 0.0316 -0.0255 -0.0617 374 GLY A C 2245 O O . GLY A 328 ? 0.3158 0.5007 0.4405 0.0285 -0.0299 -0.0558 374 GLY A O 2246 N N . LEU A 329 ? 0.2986 0.5172 0.4359 0.0226 -0.0171 -0.0630 375 LEU A N 2247 C CA . LEU A 329 ? 0.2797 0.4776 0.4043 0.0103 -0.0133 -0.0575 375 LEU A CA 2248 C C . LEU A 329 ? 0.2913 0.4846 0.4107 0.0117 -0.0070 -0.0620 375 LEU A C 2249 O O . LEU A 329 ? 0.2881 0.5057 0.4150 0.0117 -0.0016 -0.0670 375 LEU A O 2250 C CB . LEU A 329 ? 0.2435 0.4552 0.3722 -0.0054 -0.0111 -0.0524 375 LEU A CB 2251 C CG . LEU A 329 ? 0.2277 0.4208 0.3456 -0.0166 -0.0074 -0.0471 375 LEU A CG 2252 C CD1 . LEU A 329 ? 0.2160 0.3782 0.3216 -0.0151 -0.0109 -0.0433 375 LEU A CD1 2253 C CD2 . LEU A 329 ? 0.2248 0.4299 0.3468 -0.0313 -0.0061 -0.0420 375 LEU A CD2 2254 N N . ARG A 330 ? 0.2868 0.4503 0.3928 0.0123 -0.0077 -0.0602 376 ARG A N 2255 C CA . ARG A 330 ? 0.2935 0.4490 0.3920 0.0103 -0.0028 -0.0633 376 ARG A CA 2256 C C . ARG A 330 ? 0.2692 0.4167 0.3615 -0.0040 -0.0003 -0.0559 376 ARG A C 2257 O O . ARG A 330 ? 0.2579 0.3896 0.3458 -0.0082 -0.0031 -0.0495 376 ARG A O 2258 C CB . ARG A 330 ? 0.3277 0.4551 0.4160 0.0195 -0.0060 -0.0664 376 ARG A CB 2259 C CG . ARG A 330 ? 0.3598 0.4911 0.4507 0.0338 -0.0062 -0.0770 376 ARG A CG 2260 C CD . ARG A 330 ? 0.3684 0.5250 0.4639 0.0322 0.0013 -0.0843 376 ARG A CD 2261 N NE . ARG A 330 ? 0.3850 0.5269 0.4700 0.0356 0.0033 -0.0919 376 ARG A NE 2262 C CZ . ARG A 330 ? 0.3853 0.5459 0.4721 0.0401 0.0090 -0.1022 376 ARG A CZ 2263 N NH1 . ARG A 330 ? 0.3570 0.5533 0.4569 0.0415 0.0136 -0.1052 376 ARG A NH1 2264 N NH2 . ARG A 330 ? 0.4129 0.5574 0.4879 0.0424 0.0101 -0.1098 376 ARG A NH2 2265 N N . LEU A 331 ? 0.2671 0.4256 0.3586 -0.0107 0.0048 -0.0568 377 LEU A N 2266 C CA . LEU A 331 ? 0.2747 0.4235 0.3598 -0.0221 0.0062 -0.0502 377 LEU A CA 2267 C C . LEU A 331 ? 0.2938 0.4296 0.3694 -0.0211 0.0074 -0.0538 377 LEU A C 2268 O O . LEU A 331 ? 0.3131 0.4572 0.3872 -0.0160 0.0100 -0.0617 377 LEU A O 2269 C CB . LEU A 331 ? 0.2702 0.4395 0.3596 -0.0329 0.0095 -0.0461 377 LEU A CB 2270 C CG . LEU A 331 ? 0.2655 0.4223 0.3486 -0.0429 0.0093 -0.0386 377 LEU A CG 2271 C CD1 . LEU A 331 ? 0.2567 0.4154 0.3439 -0.0516 0.0077 -0.0309 377 LEU A CD1 2272 C CD2 . LEU A 331 ? 0.2713 0.4374 0.3489 -0.0475 0.0128 -0.0400 377 LEU A CD2 2273 N N . ILE A 332 ? 0.2899 0.4062 0.3592 -0.0259 0.0056 -0.0486 378 ILE A N 2274 C CA . ILE A 332 ? 0.2847 0.3880 0.3452 -0.0271 0.0056 -0.0511 378 ILE A CA 2275 C C . ILE A 332 ? 0.2642 0.3684 0.3232 -0.0381 0.0062 -0.0440 378 ILE A C 2276 O O . ILE A 332 ? 0.2539 0.3521 0.3158 -0.0420 0.0048 -0.0369 378 ILE A O 2277 C CB . ILE A 332 ? 0.2856 0.3642 0.3406 -0.0222 0.0020 -0.0517 378 ILE A CB 2278 C CG1 . ILE A 332 ? 0.2904 0.3672 0.3470 -0.0099 0.0000 -0.0578 378 ILE A CG1 2279 C CG2 . ILE A 332 ? 0.2799 0.3447 0.3260 -0.0257 0.0013 -0.0543 378 ILE A CG2 2280 C CD1 . ILE A 332 ? 0.3098 0.3613 0.3600 -0.0054 -0.0046 -0.0564 378 ILE A CD1 2281 N N . SER A 333 ? 0.2683 0.3809 0.3227 -0.0424 0.0079 -0.0462 379 SER A N 2282 C CA . SER A 333 ? 0.2680 0.3823 0.3205 -0.0522 0.0071 -0.0392 379 SER A CA 2283 C C . SER A 333 ? 0.2669 0.3670 0.3124 -0.0537 0.0047 -0.0412 379 SER A C 2284 O O . SER A 333 ? 0.2803 0.3798 0.3183 -0.0520 0.0052 -0.0490 379 SER A O 2285 C CB . SER A 333 ? 0.2739 0.4082 0.3242 -0.0577 0.0098 -0.0388 379 SER A CB 2286 O OG . SER A 333 ? 0.2764 0.4110 0.3236 -0.0666 0.0077 -0.0312 379 SER A OG 2287 N N . LEU A 334 ? 0.2623 0.3518 0.3105 -0.0572 0.0022 -0.0348 380 LEU A N 2288 C CA . LEU A 334 ? 0.2646 0.3425 0.3082 -0.0606 -0.0004 -0.0355 380 LEU A CA 2289 C C . LEU A 334 ? 0.2791 0.3657 0.3221 -0.0688 -0.0026 -0.0307 380 LEU A C 2290 O O . LEU A 334 ? 0.2713 0.3664 0.3202 -0.0716 -0.0029 -0.0231 380 LEU A O 2291 C CB . LEU A 334 ? 0.2400 0.3048 0.2877 -0.0601 -0.0014 -0.0313 380 LEU A CB 2292 C CG . LEU A 334 ? 0.2306 0.2828 0.2763 -0.0528 -0.0010 -0.0347 380 LEU A CG 2293 C CD1 . LEU A 334 ? 0.2232 0.2646 0.2708 -0.0546 -0.0013 -0.0291 380 LEU A CD1 2294 C CD2 . LEU A 334 ? 0.2457 0.2869 0.2825 -0.0491 -0.0024 -0.0434 380 LEU A CD2 2295 N N . ASN A 335 ? 0.2956 0.3788 0.3309 -0.0725 -0.0049 -0.0350 381 ASN A N 2296 C CA . ASN A 335 ? 0.2994 0.3901 0.3338 -0.0807 -0.0087 -0.0302 381 ASN A CA 2297 C C . ASN A 335 ? 0.3134 0.3967 0.3546 -0.0840 -0.0116 -0.0257 381 ASN A C 2298 O O . ASN A 335 ? 0.3433 0.4168 0.3801 -0.0871 -0.0138 -0.0299 381 ASN A O 2299 C CB . ASN A 335 ? 0.3088 0.4020 0.3301 -0.0839 -0.0100 -0.0380 381 ASN A CB 2300 C CG . ASN A 335 ? 0.3264 0.4280 0.3452 -0.0928 -0.0153 -0.0329 381 ASN A CG 2301 O OD1 . ASN A 335 ? 0.3560 0.4573 0.3635 -0.0970 -0.0178 -0.0392 381 ASN A OD1 2302 N ND2 . ASN A 335 ? 0.3179 0.4263 0.3470 -0.0951 -0.0177 -0.0220 381 ASN A ND2 2303 N N . MET A 336 ? 0.2809 0.3692 0.3333 -0.0837 -0.0116 -0.0172 382 MET A N 2304 C CA . MET A 336 ? 0.2611 0.3463 0.3222 -0.0857 -0.0126 -0.0133 382 MET A CA 2305 C C . MET A 336 ? 0.2602 0.3530 0.3236 -0.0933 -0.0179 -0.0106 382 MET A C 2306 O O . MET A 336 ? 0.2449 0.3389 0.3170 -0.0960 -0.0186 -0.0076 382 MET A O 2307 C CB . MET A 336 ? 0.2359 0.3244 0.3080 -0.0814 -0.0104 -0.0070 382 MET A CB 2308 C CG . MET A 336 ? 0.2276 0.3104 0.2974 -0.0751 -0.0064 -0.0094 382 MET A CG 2309 S SD . MET A 336 ? 0.2380 0.3055 0.3032 -0.0719 -0.0036 -0.0143 382 MET A SD 2310 C CE . MET A 336 ? 0.2127 0.2805 0.2871 -0.0741 -0.0022 -0.0088 382 MET A CE 2311 N N . ASN A 337 ? 0.2820 0.3814 0.3376 -0.0974 -0.0217 -0.0119 383 ASN A N 2312 C CA . ASN A 337 ? 0.3058 0.4130 0.3624 -0.1053 -0.0281 -0.0098 383 ASN A CA 2313 C C . ASN A 337 ? 0.3305 0.4274 0.3823 -0.1111 -0.0296 -0.0162 383 ASN A C 2314 O O . ASN A 337 ? 0.3477 0.4512 0.4038 -0.1188 -0.0349 -0.0140 383 ASN A O 2315 C CB . ASN A 337 ? 0.3036 0.4196 0.3494 -0.1089 -0.0320 -0.0099 383 ASN A CB 2316 C CG . ASN A 337 ? 0.2969 0.4219 0.3472 -0.1056 -0.0321 -0.0013 383 ASN A CG 2317 O OD1 . ASN A 337 ? 0.2992 0.4294 0.3629 -0.1039 -0.0345 0.0069 383 ASN A OD1 2318 N ND2 . ASN A 337 ? 0.2935 0.4202 0.3330 -0.1048 -0.0294 -0.0033 383 ASN A ND2 2319 N N . PHE A 338 ? 0.3332 0.4137 0.3762 -0.1078 -0.0259 -0.0237 384 PHE A N 2320 C CA . PHE A 338 ? 0.3476 0.4127 0.3856 -0.1130 -0.0274 -0.0287 384 PHE A CA 2321 C C . PHE A 338 ? 0.3371 0.3994 0.3863 -0.1142 -0.0251 -0.0229 384 PHE A C 2322 O O . PHE A 338 ? 0.3412 0.3913 0.3873 -0.1209 -0.0266 -0.0247 384 PHE A O 2323 C CB . PHE A 338 ? 0.3690 0.4160 0.3929 -0.1073 -0.0252 -0.0388 384 PHE A CB 2324 C CG . PHE A 338 ? 0.3795 0.4304 0.3908 -0.1070 -0.0267 -0.0466 384 PHE A CG 2325 C CD1 . PHE A 338 ? 0.3916 0.4512 0.3984 -0.1162 -0.0325 -0.0470 384 PHE A CD1 2326 C CD2 . PHE A 338 ? 0.3728 0.4213 0.3769 -0.0978 -0.0223 -0.0535 384 PHE A CD2 2327 C CE1 . PHE A 338 ? 0.4022 0.4665 0.3948 -0.1166 -0.0335 -0.0543 384 PHE A CE1 2328 C CE2 . PHE A 338 ? 0.3876 0.4428 0.3795 -0.0978 -0.0224 -0.0612 384 PHE A CE2 2329 C CZ . PHE A 338 ? 0.3978 0.4601 0.3827 -0.1074 -0.0278 -0.0617 384 PHE A CZ 2330 N N . CYS A 339 ? 0.3264 0.3992 0.3876 -0.1087 -0.0213 -0.0161 385 CYS A N 2331 C CA . CYS A 339 ? 0.3133 0.3887 0.3858 -0.1097 -0.0182 -0.0105 385 CYS A CA 2332 C C . CYS A 339 ? 0.2844 0.3813 0.3728 -0.1129 -0.0204 -0.0039 385 CYS A C 2333 O O . CYS A 339 ? 0.2695 0.3733 0.3687 -0.1152 -0.0178 0.0000 385 CYS A O 2334 C CB . CYS A 339 ? 0.3091 0.3800 0.3832 -0.1000 -0.0122 -0.0092 385 CYS A CB 2335 S SG . CYS A 339 ? 0.2921 0.3806 0.3810 -0.0932 -0.0101 -0.0027 385 CYS A SG 2336 N N . SER A 340 ? 0.2988 0.4074 0.3886 -0.1131 -0.0254 -0.0024 386 SER A N 2337 C CA . SER A 340 ? 0.3209 0.4494 0.4267 -0.1118 -0.0280 0.0047 386 SER A CA 2338 C C . SER A 340 ? 0.3703 0.5125 0.4871 -0.1210 -0.0319 0.0070 386 SER A C 2339 O O . SER A 340 ? 0.3873 0.5262 0.4963 -0.1307 -0.0367 0.0036 386 SER A O 2340 C CB . SER A 340 ? 0.3057 0.4407 0.4072 -0.1101 -0.0334 0.0069 386 SER A CB 2341 O OG . SER A 340 ? 0.2990 0.4519 0.4154 -0.1093 -0.0385 0.0142 386 SER A OG 2342 N N . ARG A 341 ? 0.3883 0.5468 0.5238 -0.1177 -0.0300 0.0123 387 ARG A N 2343 C CA . ARG A 341 ? 0.4080 0.5842 0.5573 -0.1230 -0.0333 0.0151 387 ARG A CA 2344 C C . ARG A 341 ? 0.3858 0.5735 0.5365 -0.1244 -0.0429 0.0175 387 ARG A C 2345 O O . ARG A 341 ? 0.3739 0.5729 0.5316 -0.1292 -0.0469 0.0184 387 ARG A O 2346 C CB . ARG A 341 ? 0.4428 0.6358 0.6124 -0.1161 -0.0280 0.0190 387 ARG A CB 2347 C CG . ARG A 341 ? 0.4932 0.6777 0.6610 -0.1143 -0.0182 0.0175 387 ARG A CG 2348 C CD . ARG A 341 ? 0.5394 0.7442 0.7272 -0.1089 -0.0125 0.0201 387 ARG A CD 2349 N NE . ARG A 341 ? 0.5825 0.7777 0.7662 -0.1022 -0.0030 0.0181 387 ARG A NE 2350 C CZ . ARG A 341 ? 0.6143 0.8077 0.7950 -0.1079 0.0043 0.0175 387 ARG A CZ 2351 N NH1 . ARG A 341 ? 0.6236 0.8197 0.8037 -0.1193 0.0037 0.0184 387 ARG A NH1 2352 N NH2 . ARG A 341 ? 0.6227 0.8072 0.7976 -0.1008 0.0120 0.0157 387 ARG A NH2 2353 N N . GLU A 342 ? 0.3869 0.5727 0.5306 -0.1209 -0.0471 0.0192 388 GLU A N 2354 C CA . GLU A 342 ? 0.4020 0.5990 0.5454 -0.1223 -0.0568 0.0231 388 GLU A CA 2355 C C . GLU A 342 ? 0.3796 0.5661 0.5010 -0.1304 -0.0614 0.0181 388 GLU A C 2356 O O . GLU A 342 ? 0.3916 0.5869 0.5091 -0.1335 -0.0699 0.0207 388 GLU A O 2357 C CB . GLU A 342 ? 0.4552 0.6594 0.6066 -0.1135 -0.0597 0.0305 388 GLU A CB 2358 C CG . GLU A 342 ? 0.5198 0.7329 0.6924 -0.1035 -0.0550 0.0338 388 GLU A CG 2359 C CD . GLU A 342 ? 0.5945 0.8143 0.7767 -0.0935 -0.0610 0.0415 388 GLU A CD 2360 O OE1 . GLU A 342 ? 0.6246 0.8292 0.7951 -0.0888 -0.0605 0.0432 388 GLU A OE1 2361 O OE2 . GLU A 342 ? 0.6192 0.8594 0.8210 -0.0905 -0.0666 0.0462 388 GLU A OE2 2362 N N . ASN A 343 ? 0.3419 0.5106 0.4487 -0.1338 -0.0564 0.0105 389 ASN A N 2363 C CA . ASN A 343 ? 0.3263 0.4852 0.4122 -0.1413 -0.0602 0.0033 389 ASN A CA 2364 C C . ASN A 343 ? 0.3253 0.4836 0.4099 -0.1498 -0.0646 0.0001 389 ASN A C 2365 O O . ASN A 343 ? 0.3183 0.4627 0.3992 -0.1543 -0.0614 -0.0053 389 ASN A O 2366 C CB . ASN A 343 ? 0.3196 0.4569 0.3908 -0.1377 -0.0526 -0.0047 389 ASN A CB 2367 C CG . ASN A 343 ? 0.3264 0.4539 0.3756 -0.1419 -0.0552 -0.0137 389 ASN A CG 2368 O OD1 . ASN A 343 ? 0.3299 0.4661 0.3728 -0.1496 -0.0630 -0.0143 389 ASN A OD1 2369 N ND2 . ASN A 343 ? 0.3135 0.4241 0.3508 -0.1362 -0.0487 -0.0212 389 ASN A ND2 2370 N N . PHE A 344 ? 0.3194 0.4923 0.4067 -0.1526 -0.0728 0.0040 390 PHE A N 2371 C CA . PHE A 344 ? 0.3122 0.4883 0.4017 -0.1609 -0.0776 0.0020 390 PHE A CA 2372 C C . PHE A 344 ? 0.3264 0.4824 0.3949 -0.1698 -0.0789 -0.0086 390 PHE A C 2373 O O . PHE A 344 ? 0.3439 0.4957 0.4137 -0.1775 -0.0809 -0.0112 390 PHE A O 2374 C CB . PHE A 344 ? 0.3054 0.5017 0.4008 -0.1619 -0.0872 0.0082 390 PHE A CB 2375 C CG . PHE A 344 ? 0.3082 0.5044 0.3856 -0.1626 -0.0929 0.0082 390 PHE A CG 2376 C CD1 . PHE A 344 ? 0.3055 0.5073 0.3844 -0.1550 -0.0926 0.0151 390 PHE A CD1 2377 C CD2 . PHE A 344 ? 0.3232 0.5137 0.3814 -0.1715 -0.0987 0.0014 390 PHE A CD2 2378 C CE1 . PHE A 344 ? 0.3120 0.5148 0.3727 -0.1570 -0.0976 0.0162 390 PHE A CE1 2379 C CE2 . PHE A 344 ? 0.3362 0.5284 0.3758 -0.1728 -0.1032 0.0012 390 PHE A CE2 2380 C CZ . PHE A 344 ? 0.3279 0.5269 0.3685 -0.1659 -0.1025 0.0092 390 PHE A CZ 2381 N N . TRP A 345 ? 0.3275 0.4709 0.3768 -0.1690 -0.0777 -0.0153 391 TRP A N 2382 C CA . TRP A 345 ? 0.3412 0.4631 0.3702 -0.1756 -0.0785 -0.0275 391 TRP A CA 2383 C C . TRP A 345 ? 0.3429 0.4459 0.3749 -0.1774 -0.0734 -0.0308 391 TRP A C 2384 O O . TRP A 345 ? 0.3769 0.4622 0.3977 -0.1847 -0.0762 -0.0384 391 TRP A O 2385 C CB . TRP A 345 ? 0.3436 0.4579 0.3529 -0.1726 -0.0763 -0.0354 391 TRP A CB 2386 C CG . TRP A 345 ? 0.3713 0.5017 0.3724 -0.1731 -0.0816 -0.0325 391 TRP A CG 2387 C CD1 . TRP A 345 ? 0.3715 0.5191 0.3804 -0.1677 -0.0816 -0.0222 391 TRP A CD1 2388 C CD2 . TRP A 345 ? 0.3985 0.5286 0.3810 -0.1798 -0.0883 -0.0389 391 TRP A CD2 2389 N NE1 . TRP A 345 ? 0.3883 0.5460 0.3837 -0.1711 -0.0880 -0.0209 391 TRP A NE1 2390 C CE2 . TRP A 345 ? 0.4037 0.5521 0.3827 -0.1784 -0.0918 -0.0313 391 TRP A CE2 2391 C CE3 . TRP A 345 ? 0.4256 0.5400 0.3929 -0.1868 -0.0918 -0.0504 391 TRP A CE3 2392 C CZ2 . TRP A 345 ? 0.4316 0.5848 0.3921 -0.1839 -0.0982 -0.0344 391 TRP A CZ2 2393 C CZ3 . TRP A 345 ? 0.4479 0.5670 0.3977 -0.1917 -0.0981 -0.0547 391 TRP A CZ3 2394 C CH2 . TRP A 345 ? 0.4491 0.5884 0.3953 -0.1904 -0.1010 -0.0466 391 TRP A CH2 2395 N N . LEU A 346 ? 0.3144 0.4197 0.3605 -0.1712 -0.0664 -0.0247 392 LEU A N 2396 C CA . LEU A 346 ? 0.3279 0.4152 0.3751 -0.1733 -0.0617 -0.0263 392 LEU A CA 2397 C C . LEU A 346 ? 0.3617 0.4514 0.4173 -0.1819 -0.0644 -0.0232 392 LEU A C 2398 O O . LEU A 346 ? 0.3900 0.4615 0.4422 -0.1865 -0.0620 -0.0248 392 LEU A O 2399 C CB . LEU A 346 ? 0.3020 0.3937 0.3612 -0.1647 -0.0535 -0.0203 392 LEU A CB 2400 C CG . LEU A 346 ? 0.2914 0.3812 0.3430 -0.1550 -0.0502 -0.0229 392 LEU A CG 2401 C CD1 . LEU A 346 ? 0.2789 0.3663 0.3391 -0.1442 -0.0416 -0.0184 392 LEU A CD1 2402 C CD2 . LEU A 346 ? 0.2993 0.3671 0.3287 -0.1536 -0.0507 -0.0346 392 LEU A CD2 2403 N N . LEU A 347 ? 0.3639 0.4751 0.4296 -0.1850 -0.0698 -0.0188 393 LEU A N 2404 C CA . LEU A 347 ? 0.3712 0.4855 0.4434 -0.1949 -0.0731 -0.0173 393 LEU A CA 2405 C C . LEU A 347 ? 0.4107 0.4987 0.4632 -0.2045 -0.0777 -0.0268 393 LEU A C 2406 O O . LEU A 347 ? 0.4154 0.4952 0.4698 -0.2133 -0.0783 -0.0263 393 LEU A O 2407 C CB . LEU A 347 ? 0.3527 0.4946 0.4374 -0.1964 -0.0796 -0.0123 393 LEU A CB 2408 C CG . LEU A 347 ? 0.3196 0.4888 0.4283 -0.1884 -0.0765 -0.0029 393 LEU A CG 2409 C CD1 . LEU A 347 ? 0.3106 0.5007 0.4241 -0.1872 -0.0850 0.0004 393 LEU A CD1 2410 C CD2 . LEU A 347 ? 0.3198 0.4991 0.4456 -0.1931 -0.0726 0.0012 393 LEU A CD2 2411 N N . ILE A 348 ? 0.4410 0.5158 0.4741 -0.2030 -0.0810 -0.0357 394 ILE A N 2412 C CA . ILE A 348 ? 0.4792 0.5251 0.4919 -0.2097 -0.0850 -0.0470 394 ILE A CA 2413 C C . ILE A 348 ? 0.5280 0.5461 0.5353 -0.2083 -0.0796 -0.0493 394 ILE A C 2414 O O . ILE A 348 ? 0.5487 0.5464 0.5505 -0.2162 -0.0818 -0.0518 394 ILE A O 2415 C CB . ILE A 348 ? 0.4632 0.5035 0.4558 -0.2064 -0.0883 -0.0573 394 ILE A CB 2416 C CG1 . ILE A 348 ? 0.4555 0.5225 0.4514 -0.2085 -0.0946 -0.0534 394 ILE A CG1 2417 C CG2 . ILE A 348 ? 0.4846 0.4926 0.4556 -0.2108 -0.0918 -0.0710 394 ILE A CG2 2418 C CD1 . ILE A 348 ? 0.3966 0.4625 0.3718 -0.2056 -0.0971 -0.0621 394 ILE A CD1 2419 N N . ASN A 349 ? 0.5592 0.5755 0.5675 -0.1986 -0.0729 -0.0481 395 ASN A N 2420 C CA . ASN A 349 ? 0.6051 0.5950 0.6075 -0.1962 -0.0683 -0.0496 395 ASN A CA 2421 C C . ASN A 349 ? 0.5438 0.5444 0.5547 -0.1862 -0.0609 -0.0445 395 ASN A C 2422 O O . ASN A 349 ? 0.5270 0.5306 0.5313 -0.1792 -0.0597 -0.0498 395 ASN A O 2423 C CB . ASN A 349 ? 0.7132 0.6697 0.6921 -0.1950 -0.0716 -0.0637 395 ASN A CB 2424 C CG . ASN A 349 ? 0.8210 0.7454 0.7930 -0.1937 -0.0693 -0.0645 395 ASN A CG 2425 O OD1 . ASN A 349 ? 0.7996 0.7277 0.7824 -0.1926 -0.0640 -0.0546 395 ASN A OD1 2426 N ND2 . ASN A 349 ? 0.9609 0.8526 0.9138 -0.1929 -0.0735 -0.0763 395 ASN A ND2 2427 N N . SER A 350 ? 0.4957 0.5022 0.5203 -0.1859 -0.0555 -0.0348 396 SER A N 2428 C CA . SER A 350 ? 0.4368 0.4532 0.4703 -0.1769 -0.0483 -0.0296 396 SER A CA 2429 C C . SER A 350 ? 0.4368 0.4250 0.4587 -0.1710 -0.0444 -0.0325 396 SER A C 2430 O O . SER A 350 ? 0.4158 0.4096 0.4433 -0.1592 -0.0378 -0.0286 396 SER A O 2431 C CB . SER A 350 ? 0.4112 0.4512 0.4653 -0.1773 -0.0438 -0.0183 396 SER A CB 2432 O OG . SER A 350 ? 0.4231 0.4501 0.4761 -0.1849 -0.0424 -0.0150 396 SER A OG 2433 N N . THR A 351 ? 0.4578 0.4150 0.4636 -0.1761 -0.0486 -0.0390 397 THR A N 2434 C CA . THR A 351 ? 0.4586 0.3869 0.4539 -0.1679 -0.0460 -0.0403 397 THR A CA 2435 C C . THR A 351 ? 0.4746 0.3989 0.4630 -0.1498 -0.0432 -0.0482 397 THR A C 2436 O O . THR A 351 ? 0.5026 0.4192 0.4800 -0.1470 -0.0467 -0.0591 397 THR A O 2437 C CB . THR A 351 ? 0.4530 0.3466 0.4327 -0.1786 -0.0528 -0.0450 397 THR A CB 2438 O OG1 . THR A 351 ? 0.4523 0.3551 0.4417 -0.1907 -0.0529 -0.0355 397 THR A OG1 2439 C CG2 . THR A 351 ? 0.4386 0.3004 0.4066 -0.1683 -0.0516 -0.0462 397 THR A CG2 2440 N N . ASP A 352 ? 0.4453 0.3756 0.4400 -0.1380 -0.0368 -0.0431 398 ASP A N 2441 C CA . ASP A 352 ? 0.4385 0.3704 0.4307 -0.1213 -0.0333 -0.0485 398 ASP A CA 2442 C C . ASP A 352 ? 0.4480 0.3874 0.4340 -0.1179 -0.0352 -0.0588 398 ASP A C 2443 O O . ASP A 352 ? 0.4647 0.3863 0.4382 -0.1104 -0.0366 -0.0695 398 ASP A O 2444 C CB . ASP A 352 ? 0.4406 0.3430 0.4220 -0.1123 -0.0339 -0.0518 398 ASP A CB 2445 C CG . ASP A 352 ? 0.4124 0.3216 0.3951 -0.0951 -0.0299 -0.0559 398 ASP A CG 2446 O OD1 . ASP A 352 ? 0.3900 0.3262 0.3829 -0.0917 -0.0255 -0.0533 398 ASP A OD1 2447 O OD2 . ASP A 352 ? 0.4154 0.3031 0.3895 -0.0851 -0.0315 -0.0616 398 ASP A OD2 2448 N N . PRO A 353 ? 0.4319 0.3974 0.4256 -0.1229 -0.0353 -0.0560 399 PRO A N 2449 C CA . PRO A 353 ? 0.4326 0.4056 0.4175 -0.1220 -0.0375 -0.0649 399 PRO A CA 2450 C C . PRO A 353 ? 0.4339 0.4067 0.4132 -0.1071 -0.0327 -0.0723 399 PRO A C 2451 O O . PRO A 353 ? 0.4282 0.4091 0.4161 -0.0983 -0.0276 -0.0671 399 PRO A O 2452 C CB . PRO A 353 ? 0.4127 0.4158 0.4096 -0.1278 -0.0380 -0.0565 399 PRO A CB 2453 C CG . PRO A 353 ? 0.4067 0.4145 0.4180 -0.1354 -0.0380 -0.0456 399 PRO A CG 2454 C CD . PRO A 353 ? 0.4067 0.3966 0.4171 -0.1281 -0.0334 -0.0444 399 PRO A CD 2455 N N . ALA A 354 ? 0.4426 0.4066 0.4074 -0.1045 -0.0345 -0.0852 400 ALA A N 2456 C CA . ALA A 354 ? 0.4398 0.4038 0.3982 -0.0905 -0.0300 -0.0951 400 ALA A CA 2457 C C . ALA A 354 ? 0.4377 0.3810 0.3967 -0.0789 -0.0285 -0.0973 400 ALA A C 2458 O O . ALA A 354 ? 0.4367 0.3835 0.3944 -0.0656 -0.0245 -0.1046 400 ALA A O 2459 C CB . ALA A 354 ? 0.4236 0.4179 0.3901 -0.0860 -0.0243 -0.0902 400 ALA A CB 2460 N N . GLY A 355 ? 0.4327 0.3559 0.3936 -0.0835 -0.0317 -0.0909 401 GLY A N 2461 C CA . GLY A 355 ? 0.4311 0.3348 0.3919 -0.0728 -0.0312 -0.0905 401 GLY A CA 2462 C C . GLY A 355 ? 0.4176 0.3411 0.3905 -0.0629 -0.0254 -0.0843 401 GLY A C 2463 O O . GLY A 355 ? 0.4329 0.3469 0.4054 -0.0502 -0.0248 -0.0873 401 GLY A O 2464 N N . GLN A 356 ? 0.3829 0.3331 0.3667 -0.0682 -0.0220 -0.0756 402 GLN A N 2465 C CA . GLN A 356 ? 0.3588 0.3283 0.3530 -0.0601 -0.0169 -0.0708 402 GLN A CA 2466 C C . GLN A 356 ? 0.3600 0.3184 0.3586 -0.0561 -0.0167 -0.0635 402 GLN A C 2467 O O . GLN A 356 ? 0.3513 0.3130 0.3531 -0.0451 -0.0149 -0.0647 402 GLN A O 2468 C CB . GLN A 356 ? 0.3384 0.3336 0.3416 -0.0675 -0.0146 -0.0629 402 GLN A CB 2469 C CG . GLN A 356 ? 0.3281 0.3427 0.3404 -0.0609 -0.0100 -0.0592 402 GLN A CG 2470 C CD . GLN A 356 ? 0.3147 0.3498 0.3345 -0.0680 -0.0090 -0.0511 402 GLN A CD 2471 O OE1 . GLN A 356 ? 0.3159 0.3670 0.3407 -0.0652 -0.0061 -0.0487 402 GLN A OE1 2472 N NE2 . GLN A 356 ? 0.3101 0.3447 0.3313 -0.0775 -0.0122 -0.0465 402 GLN A NE2 2473 N N . LEU A 357 ? 0.3675 0.3153 0.3663 -0.0655 -0.0187 -0.0556 403 LEU A N 2474 C CA . LEU A 357 ? 0.3606 0.2990 0.3613 -0.0633 -0.0182 -0.0479 403 LEU A CA 2475 C C . LEU A 357 ? 0.4133 0.3261 0.4044 -0.0536 -0.0219 -0.0528 403 LEU A C 2476 O O . LEU A 357 ? 0.4214 0.3332 0.4144 -0.0448 -0.0214 -0.0499 403 LEU A O 2477 C CB . LEU A 357 ? 0.3252 0.2592 0.3271 -0.0766 -0.0187 -0.0391 403 LEU A CB 2478 C CG . LEU A 357 ? 0.2880 0.2425 0.3014 -0.0794 -0.0140 -0.0298 403 LEU A CG 2479 C CD1 . LEU A 357 ? 0.2588 0.2356 0.2806 -0.0722 -0.0108 -0.0316 403 LEU A CD1 2480 C CD2 . LEU A 357 ? 0.2627 0.2262 0.2820 -0.0927 -0.0136 -0.0243 403 LEU A CD2 2481 N N . GLN A 358 ? 0.4396 0.3308 0.4201 -0.0549 -0.0265 -0.0603 404 GLN A N 2482 C CA . GLN A 358 ? 0.4715 0.3360 0.4429 -0.0435 -0.0310 -0.0662 404 GLN A CA 2483 C C . GLN A 358 ? 0.4576 0.3368 0.4341 -0.0269 -0.0286 -0.0747 404 GLN A C 2484 O O . GLN A 358 ? 0.4771 0.3467 0.4534 -0.0146 -0.0309 -0.0751 404 GLN A O 2485 C CB . GLN A 358 ? 0.5026 0.3394 0.4610 -0.0485 -0.0367 -0.0741 404 GLN A CB 2486 C CG . GLN A 358 ? 0.5393 0.3400 0.4868 -0.0389 -0.0432 -0.0774 404 GLN A CG 2487 C CD . GLN A 358 ? 0.5576 0.3436 0.5032 -0.0428 -0.0455 -0.0634 404 GLN A CD 2488 O OE1 . GLN A 358 ? 0.5560 0.3344 0.4985 -0.0589 -0.0463 -0.0542 404 GLN A OE1 2489 N NE2 . GLN A 358 ? 0.5711 0.3553 0.5187 -0.0285 -0.0465 -0.0617 404 GLN A NE2 2490 N N . TRP A 359 ? 0.4159 0.3197 0.3969 -0.0268 -0.0243 -0.0812 405 TRP A N 2491 C CA . TRP A 359 ? 0.3862 0.3102 0.3737 -0.0133 -0.0206 -0.0884 405 TRP A CA 2492 C C . TRP A 359 ? 0.3662 0.3073 0.3650 -0.0097 -0.0181 -0.0794 405 TRP A C 2493 O O . TRP A 359 ? 0.3476 0.2947 0.3513 0.0032 -0.0181 -0.0830 405 TRP A O 2494 C CB . TRP A 359 ? 0.3718 0.3203 0.3603 -0.0178 -0.0160 -0.0943 405 TRP A CB 2495 C CG . TRP A 359 ? 0.3666 0.3441 0.3635 -0.0087 -0.0104 -0.0988 405 TRP A CG 2496 C CD1 . TRP A 359 ? 0.3796 0.3624 0.3754 0.0044 -0.0086 -0.1117 405 TRP A CD1 2497 C CD2 . TRP A 359 ? 0.3419 0.3479 0.3497 -0.0127 -0.0059 -0.0908 405 TRP A CD2 2498 N NE1 . TRP A 359 ? 0.3679 0.3834 0.3740 0.0075 -0.0027 -0.1113 405 TRP A NE1 2499 C CE2 . TRP A 359 ? 0.3499 0.3782 0.3628 -0.0035 -0.0014 -0.0983 405 TRP A CE2 2500 C CE3 . TRP A 359 ? 0.3127 0.3270 0.3268 -0.0230 -0.0051 -0.0784 405 TRP A CE3 2501 C CZ2 . TRP A 359 ? 0.3292 0.3863 0.3522 -0.0064 0.0032 -0.0927 405 TRP A CZ2 2502 C CZ3 . TRP A 359 ? 0.2942 0.3340 0.3176 -0.0242 -0.0011 -0.0737 405 TRP A CZ3 2503 C CH2 . TRP A 359 ? 0.3069 0.3671 0.3343 -0.0170 0.0027 -0.0803 405 TRP A CH2 2504 N N . LEU A 360 ? 0.3610 0.3106 0.3645 -0.0208 -0.0163 -0.0684 406 LEU A N 2505 C CA . LEU A 360 ? 0.3485 0.3118 0.3608 -0.0188 -0.0143 -0.0604 406 LEU A CA 2506 C C . LEU A 360 ? 0.3815 0.3254 0.3899 -0.0113 -0.0187 -0.0573 406 LEU A C 2507 O O . LEU A 360 ? 0.3719 0.3261 0.3862 -0.0027 -0.0188 -0.0565 406 LEU A O 2508 C CB . LEU A 360 ? 0.3131 0.2851 0.3295 -0.0313 -0.0118 -0.0507 406 LEU A CB 2509 C CG . LEU A 360 ? 0.2883 0.2686 0.3109 -0.0302 -0.0103 -0.0429 406 LEU A CG 2510 C CD1 . LEU A 360 ? 0.2827 0.2852 0.3138 -0.0238 -0.0079 -0.0458 406 LEU A CD1 2511 C CD2 . LEU A 360 ? 0.2675 0.2538 0.2936 -0.0409 -0.0078 -0.0349 406 LEU A CD2 2512 N N . VAL A 361 ? 0.4046 0.3206 0.4027 -0.0155 -0.0230 -0.0546 407 VAL A N 2513 C CA . VAL A 361 ? 0.4240 0.3181 0.4155 -0.0095 -0.0283 -0.0500 407 VAL A CA 2514 C C . VAL A 361 ? 0.4625 0.3528 0.4550 0.0079 -0.0320 -0.0587 407 VAL A C 2515 O O . VAL A 361 ? 0.4682 0.3616 0.4640 0.0171 -0.0346 -0.0558 407 VAL A O 2516 C CB . VAL A 361 ? 0.4451 0.3081 0.4238 -0.0191 -0.0325 -0.0454 407 VAL A CB 2517 C CG1 . VAL A 361 ? 0.4724 0.3075 0.4414 -0.0114 -0.0397 -0.0415 407 VAL A CG1 2518 C CG2 . VAL A 361 ? 0.4215 0.2926 0.4017 -0.0352 -0.0285 -0.0353 407 VAL A CG2 2519 N N . GLY A 362 ? 0.4732 0.3585 0.4633 0.0131 -0.0325 -0.0704 408 GLY A N 2520 C CA . GLY A 362 ? 0.4820 0.3666 0.4749 0.0314 -0.0352 -0.0805 408 GLY A CA 2521 C C . GLY A 362 ? 0.4634 0.3837 0.4712 0.0390 -0.0309 -0.0819 408 GLY A C 2522 O O . GLY A 362 ? 0.4658 0.3889 0.4790 0.0530 -0.0345 -0.0836 408 GLY A O 2523 N N . GLU A 363 ? 0.4404 0.3883 0.4552 0.0294 -0.0239 -0.0805 409 GLU A N 2524 C CA . GLU A 363 ? 0.4251 0.4064 0.4535 0.0331 -0.0199 -0.0804 409 GLU A CA 2525 C C . GLU A 363 ? 0.4155 0.3977 0.4475 0.0331 -0.0230 -0.0701 409 GLU A C 2526 O O . GLU A 363 ? 0.4149 0.4131 0.4561 0.0427 -0.0244 -0.0715 409 GLU A O 2527 C CB . GLU A 363 ? 0.4173 0.4217 0.4495 0.0209 -0.0129 -0.0794 409 GLU A CB 2528 C CG . GLU A 363 ? 0.4366 0.4750 0.4811 0.0239 -0.0082 -0.0822 409 GLU A CG 2529 C CD . GLU A 363 ? 0.4848 0.5371 0.5302 0.0310 -0.0044 -0.0948 409 GLU A CD 2530 O OE1 . GLU A 363 ? 0.5206 0.5588 0.5556 0.0292 -0.0042 -0.1010 409 GLU A OE1 2531 O OE2 . GLU A 363 ? 0.4961 0.5750 0.5524 0.0378 -0.0015 -0.0989 409 GLU A OE2 2532 N N . LEU A 364 ? 0.4078 0.3741 0.4323 0.0224 -0.0241 -0.0602 410 LEU A N 2533 C CA . LEU A 364 ? 0.3843 0.3514 0.4095 0.0214 -0.0265 -0.0510 410 LEU A CA 2534 C C . LEU A 364 ? 0.4128 0.3617 0.4330 0.0335 -0.0346 -0.0500 410 LEU A C 2535 O O . LEU A 364 ? 0.4128 0.3724 0.4379 0.0391 -0.0377 -0.0470 410 LEU A O 2536 C CB . LEU A 364 ? 0.3571 0.3140 0.3752 0.0072 -0.0245 -0.0417 410 LEU A CB 2537 C CG . LEU A 364 ? 0.3225 0.3011 0.3480 -0.0031 -0.0178 -0.0399 410 LEU A CG 2538 C CD1 . LEU A 364 ? 0.3006 0.2698 0.3206 -0.0151 -0.0157 -0.0324 410 LEU A CD1 2539 C CD2 . LEU A 364 ? 0.3111 0.3108 0.3454 -0.0008 -0.0169 -0.0383 410 LEU A CD2 2540 N N . GLN A 365 ? 0.4330 0.3529 0.4429 0.0373 -0.0393 -0.0520 411 GLN A N 2541 C CA . GLN A 365 ? 0.4561 0.3548 0.4604 0.0499 -0.0484 -0.0505 411 GLN A CA 2542 C C . GLN A 365 ? 0.4747 0.3920 0.4918 0.0677 -0.0505 -0.0600 411 GLN A C 2543 O O . GLN A 365 ? 0.4967 0.4119 0.5157 0.0789 -0.0578 -0.0572 411 GLN A O 2544 C CB . GLN A 365 ? 0.4809 0.3414 0.4708 0.0494 -0.0532 -0.0513 411 GLN A CB 2545 C CG . GLN A 365 ? 0.5147 0.3475 0.4961 0.0613 -0.0640 -0.0473 411 GLN A CG 2546 C CD . GLN A 365 ? 0.5384 0.3684 0.5132 0.0547 -0.0669 -0.0333 411 GLN A CD 2547 O OE1 . GLN A 365 ? 0.5493 0.3736 0.5157 0.0384 -0.0631 -0.0248 411 GLN A OE1 2548 N NE2 . GLN A 365 ? 0.5458 0.3825 0.5245 0.0672 -0.0734 -0.0311 411 GLN A NE2 2549 N N . ALA A 366 ? 0.4549 0.3917 0.4810 0.0706 -0.0444 -0.0712 412 ALA A N 2550 C CA . ALA A 366 ? 0.4218 0.3847 0.4628 0.0860 -0.0442 -0.0807 412 ALA A CA 2551 C C . ALA A 366 ? 0.3896 0.3838 0.4430 0.0838 -0.0432 -0.0752 412 ALA A C 2552 O O . ALA A 366 ? 0.3914 0.3988 0.4549 0.0969 -0.0482 -0.0769 412 ALA A O 2553 C CB . ALA A 366 ? 0.3985 0.3790 0.4444 0.0862 -0.0362 -0.0930 412 ALA A CB 2554 N N . ALA A 367 ? 0.3564 0.3623 0.4095 0.0675 -0.0374 -0.0686 413 ALA A N 2555 C CA . ALA A 367 ? 0.3305 0.3613 0.3930 0.0635 -0.0371 -0.0634 413 ALA A CA 2556 C C . ALA A 367 ? 0.3687 0.3849 0.4253 0.0675 -0.0460 -0.0551 413 ALA A C 2557 O O . ALA A 367 ? 0.3745 0.4093 0.4406 0.0741 -0.0503 -0.0548 413 ALA A O 2558 C CB . ALA A 367 ? 0.2800 0.3194 0.3412 0.0461 -0.0300 -0.0583 413 ALA A CB 2559 N N . GLU A 368 ? 0.3888 0.3725 0.4289 0.0628 -0.0491 -0.0481 414 GLU A N 2560 C CA . GLU A 368 ? 0.3998 0.3673 0.4307 0.0661 -0.0579 -0.0394 414 GLU A CA 2561 C C . GLU A 368 ? 0.4059 0.3702 0.4417 0.0852 -0.0673 -0.0431 414 GLU A C 2562 O O . GLU A 368 ? 0.3850 0.3569 0.4232 0.0911 -0.0746 -0.0388 414 GLU A O 2563 C CB . GLU A 368 ? 0.4198 0.3533 0.4315 0.0566 -0.0587 -0.0312 414 GLU A CB 2564 C CG . GLU A 368 ? 0.4407 0.3539 0.4390 0.0591 -0.0679 -0.0211 414 GLU A CG 2565 C CD . GLU A 368 ? 0.4525 0.3374 0.4321 0.0461 -0.0669 -0.0118 414 GLU A CD 2566 O OE1 . GLU A 368 ? 0.4302 0.3239 0.4081 0.0320 -0.0589 -0.0088 414 GLU A OE1 2567 O OE2 . GLU A 368 ? 0.4798 0.3336 0.4467 0.0501 -0.0741 -0.0075 414 GLU A OE2 2568 N N . ASP A 369 ? 0.4396 0.3935 0.4773 0.0958 -0.0677 -0.0519 415 ASP A N 2569 C CA . ASP A 369 ? 0.4571 0.4073 0.5010 0.1166 -0.0768 -0.0569 415 ASP A CA 2570 C C . ASP A 369 ? 0.4432 0.4357 0.5086 0.1257 -0.0769 -0.0621 415 ASP A C 2571 O O . ASP A 369 ? 0.4458 0.4416 0.5164 0.1388 -0.0868 -0.0599 415 ASP A O 2572 C CB . ASP A 369 ? 0.4614 0.3946 0.5039 0.1264 -0.0756 -0.0682 415 ASP A CB 2573 C CG . ASP A 369 ? 0.4815 0.3684 0.5024 0.1191 -0.0788 -0.0629 415 ASP A CG 2574 O OD1 . ASP A 369 ? 0.4806 0.3483 0.4879 0.1087 -0.0826 -0.0497 415 ASP A OD1 2575 O OD2 . ASP A 369 ? 0.4939 0.3640 0.5111 0.1235 -0.0774 -0.0724 415 ASP A OD2 2576 N N . ARG A 370 ? 0.4337 0.4593 0.5120 0.1185 -0.0666 -0.0684 416 ARG A N 2577 C CA . ARG A 370 ? 0.4272 0.4959 0.5265 0.1233 -0.0657 -0.0726 416 ARG A CA 2578 C C . ARG A 370 ? 0.4069 0.4890 0.5066 0.1116 -0.0681 -0.0630 416 ARG A C 2579 O O . ARG A 370 ? 0.3998 0.5159 0.5163 0.1143 -0.0695 -0.0650 416 ARG A O 2580 C CB . ARG A 370 ? 0.4223 0.5207 0.5333 0.1181 -0.0537 -0.0820 416 ARG A CB 2581 C CG . ARG A 370 ? 0.4657 0.5589 0.5778 0.1303 -0.0501 -0.0944 416 ARG A CG 2582 C CD . ARG A 370 ? 0.4852 0.6106 0.6064 0.1225 -0.0378 -0.1023 416 ARG A CD 2583 N NE . ARG A 370 ? 0.5061 0.6278 0.6180 0.1010 -0.0316 -0.0946 416 ARG A NE 2584 C CZ . ARG A 370 ? 0.5276 0.6295 0.6261 0.0923 -0.0268 -0.0956 416 ARG A CZ 2585 N NH1 . ARG A 370 ? 0.5542 0.6370 0.6457 0.1020 -0.0271 -0.1046 416 ARG A NH1 2586 N NH2 . ARG A 370 ? 0.5037 0.6050 0.5962 0.0741 -0.0222 -0.0880 416 ARG A NH2 2587 N N . GLY A 371 ? 0.4402 0.5411 0.3658 0.1416 -0.0572 -0.1428 417 GLY A N 2588 C CA . GLY A 371 ? 0.4333 0.5467 0.3766 0.1306 -0.0537 -0.1339 417 GLY A CA 2589 C C . GLY A 371 ? 0.4231 0.5705 0.3892 0.1127 -0.0457 -0.1266 417 GLY A C 2590 O O . GLY A 371 ? 0.4148 0.5799 0.3977 0.1053 -0.0435 -0.1215 417 GLY A O 2591 N N . ASP A 372 ? 0.4193 0.5750 0.3852 0.1056 -0.0419 -0.1260 418 ASP A N 2592 C CA . ASP A 372 ? 0.3906 0.5734 0.3751 0.0876 -0.0346 -0.1176 418 ASP A CA 2593 C C . ASP A 372 ? 0.3595 0.5205 0.3467 0.0711 -0.0324 -0.1042 418 ASP A C 2594 O O . ASP A 372 ? 0.3705 0.4958 0.3441 0.0723 -0.0356 -0.1013 418 ASP A O 2595 C CB . ASP A 372 ? 0.4191 0.6128 0.3992 0.0854 -0.0317 -0.1204 418 ASP A CB 2596 C CG . ASP A 372 ? 0.4532 0.6834 0.4374 0.0983 -0.0310 -0.1318 418 ASP A CG 2597 O OD1 . ASP A 372 ? 0.4609 0.7050 0.4494 0.1113 -0.0338 -0.1391 418 ASP A OD1 2598 O OD2 . ASP A 372 ? 0.4662 0.7123 0.4488 0.0961 -0.0275 -0.1338 418 ASP A OD2 2599 N N . LYS A 373 ? 0.3173 0.5007 0.3220 0.0559 -0.0271 -0.0960 419 LYS A N 2600 C CA . LYS A 373 ? 0.3030 0.4716 0.3117 0.0401 -0.0244 -0.0836 419 LYS A CA 2601 C C . LYS A 373 ? 0.3231 0.5008 0.3340 0.0283 -0.0202 -0.0789 419 LYS A C 2602 O O . LYS A 373 ? 0.3442 0.5477 0.3585 0.0297 -0.0180 -0.0835 419 LYS A O 2603 C CB . LYS A 373 ? 0.2788 0.4618 0.3042 0.0326 -0.0231 -0.0776 419 LYS A CB 2604 C CG . LYS A 373 ? 0.2938 0.4708 0.3181 0.0439 -0.0278 -0.0823 419 LYS A CG 2605 C CD . LYS A 373 ? 0.3354 0.4732 0.3425 0.0493 -0.0308 -0.0805 419 LYS A CD 2606 C CE . LYS A 373 ? 0.3733 0.5029 0.3770 0.0611 -0.0358 -0.0847 419 LYS A CE 2607 N NZ . LYS A 373 ? 0.4120 0.5037 0.3943 0.0696 -0.0391 -0.0849 419 LYS A NZ 2608 N N . VAL A 374 ? 0.3136 0.4720 0.3227 0.0170 -0.0190 -0.0695 420 VAL A N 2609 C CA . VAL A 374 ? 0.3020 0.4640 0.3102 0.0071 -0.0164 -0.0654 420 VAL A CA 2610 C C . VAL A 374 ? 0.3020 0.4695 0.3227 -0.0082 -0.0130 -0.0535 420 VAL A C 2611 O O . VAL A 374 ? 0.3125 0.4655 0.3360 -0.0113 -0.0135 -0.0475 420 VAL A O 2612 C CB . VAL A 374 ? 0.2997 0.4314 0.2910 0.0089 -0.0196 -0.0670 420 VAL A CB 2613 C CG1 . VAL A 374 ? 0.2862 0.4222 0.2771 -0.0017 -0.0178 -0.0628 420 VAL A CG1 2614 C CG2 . VAL A 374 ? 0.3074 0.4307 0.2839 0.0252 -0.0242 -0.0794 420 VAL A CG2 2615 N N . HIS A 375 ? 0.2841 0.4727 0.3112 -0.0168 -0.0097 -0.0502 421 HIS A N 2616 C CA . HIS A 375 ? 0.2559 0.4448 0.2900 -0.0308 -0.0075 -0.0391 421 HIS A CA 2617 C C . HIS A 375 ? 0.2627 0.4423 0.2875 -0.0346 -0.0079 -0.0381 421 HIS A C 2618 O O . HIS A 375 ? 0.2626 0.4511 0.2801 -0.0302 -0.0080 -0.0449 421 HIS A O 2619 C CB . HIS A 375 ? 0.2321 0.4499 0.2787 -0.0389 -0.0043 -0.0347 421 HIS A CB 2620 C CG . HIS A 375 ? 0.2295 0.4561 0.2872 -0.0388 -0.0048 -0.0339 421 HIS A CG 2621 N ND1 . HIS A 375 ? 0.2266 0.4778 0.2964 -0.0472 -0.0027 -0.0297 421 HIS A ND1 2622 C CD2 . HIS A 375 ? 0.2297 0.4433 0.2878 -0.0317 -0.0077 -0.0366 421 HIS A CD2 2623 C CE1 . HIS A 375 ? 0.2263 0.4792 0.3041 -0.0456 -0.0048 -0.0304 421 HIS A CE1 2624 N NE2 . HIS A 375 ? 0.2241 0.4547 0.2947 -0.0356 -0.0079 -0.0349 421 HIS A NE2 2625 N N . ILE A 376 ? 0.2538 0.4171 0.2791 -0.0423 -0.0085 -0.0302 422 ILE A N 2626 C CA . ILE A 376 ? 0.2495 0.4068 0.2691 -0.0485 -0.0093 -0.0276 422 ILE A CA 2627 C C . ILE A 376 ? 0.2464 0.4164 0.2756 -0.0599 -0.0071 -0.0177 422 ILE A C 2628 O O . ILE A 376 ? 0.2463 0.4133 0.2839 -0.0640 -0.0065 -0.0106 422 ILE A O 2629 C CB . ILE A 376 ? 0.2383 0.3681 0.2507 -0.0486 -0.0122 -0.0265 422 ILE A CB 2630 C CG1 . ILE A 376 ? 0.2556 0.3705 0.2550 -0.0374 -0.0154 -0.0366 422 ILE A CG1 2631 C CG2 . ILE A 376 ? 0.2152 0.3416 0.2257 -0.0575 -0.0134 -0.0221 422 ILE A CG2 2632 C CD1 . ILE A 376 ? 0.2735 0.3605 0.2630 -0.0385 -0.0188 -0.0359 422 ILE A CD1 2633 N N . ILE A 377 ? 0.2414 0.4246 0.2677 -0.0640 -0.0065 -0.0175 423 ILE A N 2634 C CA . ILE A 377 ? 0.2436 0.4351 0.2755 -0.0744 -0.0055 -0.0079 423 ILE A CA 2635 C C . ILE A 377 ? 0.2748 0.4589 0.2990 -0.0777 -0.0082 -0.0077 423 ILE A C 2636 O O . ILE A 377 ? 0.3131 0.4937 0.3267 -0.0727 -0.0101 -0.0159 423 ILE A O 2637 C CB . ILE A 377 ? 0.2316 0.4485 0.2677 -0.0782 -0.0022 -0.0057 423 ILE A CB 2638 C CG1 . ILE A 377 ? 0.2407 0.4710 0.2669 -0.0747 -0.0013 -0.0126 423 ILE A CG1 2639 C CG2 . ILE A 377 ? 0.2143 0.4405 0.2587 -0.0752 -0.0004 -0.0072 423 ILE A CG2 2640 C CD1 . ILE A 377 ? 0.2314 0.4886 0.2605 -0.0801 0.0027 -0.0086 423 ILE A CD1 2641 N N . GLY A 378 ? 0.2642 0.4456 0.2933 -0.0857 -0.0091 0.0012 424 GLY A N 2642 C CA . GLY A 378 ? 0.2596 0.4354 0.2836 -0.0899 -0.0124 0.0024 424 GLY A CA 2643 C C . GLY A 378 ? 0.2697 0.4490 0.3011 -0.0976 -0.0129 0.0130 424 GLY A C 2644 O O . GLY A 378 ? 0.2682 0.4505 0.3074 -0.0992 -0.0111 0.0191 424 GLY A O 2645 N N . HIS A 379 ? 0.3034 0.4815 0.3317 -0.1019 -0.0163 0.0148 425 HIS A N 2646 C CA . HIS A 379 ? 0.3103 0.4927 0.3445 -0.1078 -0.0177 0.0244 425 HIS A CA 2647 C C . HIS A 379 ? 0.2995 0.4681 0.3400 -0.1070 -0.0191 0.0281 425 HIS A C 2648 O O . HIS A 379 ? 0.2937 0.4547 0.3390 -0.1029 -0.0171 0.0322 425 HIS A O 2649 C CB . HIS A 379 ? 0.3381 0.5290 0.3648 -0.1115 -0.0208 0.0247 425 HIS A CB 2650 C CG . HIS A 379 ? 0.3766 0.5684 0.4058 -0.1145 -0.0227 0.0340 425 HIS A CG 2651 N ND1 . HIS A 379 ? 0.3833 0.5766 0.4125 -0.1139 -0.0207 0.0409 425 HIS A ND1 2652 C CD2 . HIS A 379 ? 0.3873 0.5754 0.4175 -0.1162 -0.0270 0.0370 425 HIS A CD2 2653 C CE1 . HIS A 379 ? 0.3863 0.5772 0.4158 -0.1152 -0.0240 0.0477 425 HIS A CE1 2654 N NE2 . HIS A 379 ? 0.4017 0.5908 0.4325 -0.1161 -0.0276 0.0454 425 HIS A NE2 2655 N N . ILE A 380 ? 0.2860 0.4510 0.3256 -0.1104 -0.0228 0.0264 426 ILE A N 2656 C CA . ILE A 380 ? 0.2736 0.4278 0.3194 -0.1092 -0.0231 0.0299 426 ILE A CA 2657 C C . ILE A 380 ? 0.2764 0.4218 0.3253 -0.1065 -0.0202 0.0280 426 ILE A C 2658 O O . ILE A 380 ? 0.2792 0.4188 0.3220 -0.1060 -0.0204 0.0213 426 ILE A O 2659 C CB . ILE A 380 ? 0.2636 0.4163 0.3078 -0.1146 -0.0279 0.0279 426 ILE A CB 2660 C CG1 . ILE A 380 ? 0.2591 0.4216 0.2999 -0.1173 -0.0316 0.0298 426 ILE A CG1 2661 C CG2 . ILE A 380 ? 0.2461 0.3911 0.2977 -0.1140 -0.0274 0.0316 426 ILE A CG2 2662 C CD1 . ILE A 380 ? 0.2701 0.4315 0.3083 -0.1229 -0.0375 0.0263 426 ILE A CD1 2663 N N . PRO A 381 ? 0.2693 0.4094 0.3241 -0.1018 -0.0175 0.0327 427 PRO A N 2664 C CA . PRO A 381 ? 0.2555 0.3882 0.3124 -0.0996 -0.0149 0.0314 427 PRO A CA 2665 C C . PRO A 381 ? 0.2584 0.3836 0.3146 -0.1042 -0.0160 0.0301 427 PRO A C 2666 O O . PRO A 381 ? 0.2553 0.3805 0.3134 -0.1071 -0.0179 0.0324 427 PRO A O 2667 C CB . PRO A 381 ? 0.2405 0.3713 0.3033 -0.0941 -0.0128 0.0370 427 PRO A CB 2668 C CG . PRO A 381 ? 0.2460 0.3815 0.3109 -0.0947 -0.0151 0.0412 427 PRO A CG 2669 C CD . PRO A 381 ? 0.2592 0.4009 0.3182 -0.0986 -0.0176 0.0391 427 PRO A CD 2670 N N . PRO A 382 ? 0.2616 0.3738 0.3114 -0.1005 -0.0146 0.0256 428 PRO A N 2671 C CA . PRO A 382 ? 0.2707 0.3695 0.3153 -0.1041 -0.0163 0.0238 428 PRO A CA 2672 C C . PRO A 382 ? 0.2794 0.3794 0.3326 -0.1092 -0.0148 0.0313 428 PRO A C 2673 O O . PRO A 382 ? 0.2878 0.3823 0.3398 -0.1164 -0.0173 0.0318 428 PRO A O 2674 C CB . PRO A 382 ? 0.2650 0.3486 0.2999 -0.0966 -0.0150 0.0181 428 PRO A CB 2675 C CG . PRO A 382 ? 0.2530 0.3441 0.2919 -0.0897 -0.0118 0.0186 428 PRO A CG 2676 C CD . PRO A 382 ? 0.2488 0.3571 0.2949 -0.0926 -0.0122 0.0217 428 PRO A CD 2677 N N . GLY A 383 ? 0.2654 0.3728 0.3270 -0.1056 -0.0110 0.0370 429 GLY A N 2678 C CA . GLY A 383 ? 0.2655 0.3749 0.3335 -0.1054 -0.0087 0.0425 429 GLY A CA 2679 C C . GLY A 383 ? 0.2814 0.3989 0.3537 -0.1079 -0.0117 0.0436 429 GLY A C 2680 O O . GLY A 383 ? 0.3037 0.4236 0.3809 -0.1105 -0.0108 0.0469 429 GLY A O 2681 N N . HIS A 384 ? 0.2638 0.3868 0.3342 -0.1077 -0.0151 0.0413 430 HIS A N 2682 C CA . HIS A 384 ? 0.2858 0.4171 0.3596 -0.1103 -0.0186 0.0425 430 HIS A CA 2683 C C . HIS A 384 ? 0.2944 0.4219 0.3629 -0.1185 -0.0235 0.0384 430 HIS A C 2684 O O . HIS A 384 ? 0.2975 0.4319 0.3681 -0.1214 -0.0274 0.0389 430 HIS A O 2685 C CB . HIS A 384 ? 0.3074 0.4470 0.3812 -0.1061 -0.0201 0.0438 430 HIS A CB 2686 C CG . HIS A 384 ? 0.3406 0.4833 0.4193 -0.0992 -0.0172 0.0480 430 HIS A CG 2687 N ND1 . HIS A 384 ? 0.3467 0.4974 0.4280 -0.0966 -0.0193 0.0517 430 HIS A ND1 2688 C CD2 . HIS A 384 ? 0.3432 0.4820 0.4242 -0.0950 -0.0132 0.0493 430 HIS A CD2 2689 C CE1 . HIS A 384 ? 0.3431 0.4943 0.4284 -0.0913 -0.0172 0.0549 430 HIS A CE1 2690 N NE2 . HIS A 384 ? 0.3362 0.4807 0.4214 -0.0900 -0.0133 0.0533 430 HIS A NE2 2691 N N . CYS A 385 ? 0.2986 0.4147 0.3597 -0.1226 -0.0245 0.0342 431 CYS A N 2692 C CA . CYS A 385 ? 0.3077 0.4173 0.3617 -0.1308 -0.0308 0.0291 431 CYS A CA 2693 C C . CYS A 385 ? 0.3089 0.4136 0.3665 -0.1374 -0.0325 0.0316 431 CYS A C 2694 O O . CYS A 385 ? 0.2989 0.4058 0.3641 -0.1358 -0.0280 0.0371 431 CYS A O 2695 C CB . CYS A 385 ? 0.3250 0.4202 0.3673 -0.1318 -0.0323 0.0225 431 CYS A CB 2696 S SG . CYS A 385 ? 0.3281 0.4289 0.3642 -0.1209 -0.0298 0.0174 431 CYS A SG 2697 N N . LEU A 386 ? 0.3261 0.4242 0.3775 -0.1450 -0.0396 0.0271 432 LEU A N 2698 C CA . LEU A 386 ? 0.3350 0.4244 0.3876 -0.1532 -0.0424 0.0285 432 LEU A CA 2699 C C . LEU A 386 ? 0.3563 0.4303 0.4057 -0.1552 -0.0388 0.0309 432 LEU A C 2700 O O . LEU A 386 ? 0.3620 0.4267 0.4040 -0.1522 -0.0370 0.0288 432 LEU A O 2701 C CB . LEU A 386 ? 0.3363 0.4146 0.3784 -0.1608 -0.0520 0.0213 432 LEU A CB 2702 C CG . LEU A 386 ? 0.3268 0.4197 0.3717 -0.1607 -0.0567 0.0195 432 LEU A CG 2703 C CD1 . LEU A 386 ? 0.3324 0.4141 0.3619 -0.1642 -0.0659 0.0097 432 LEU A CD1 2704 C CD2 . LEU A 386 ? 0.3182 0.4198 0.3746 -0.1655 -0.0578 0.0241 432 LEU A CD2 2705 N N . LYS A 387 ? 0.3752 0.4470 0.4298 -0.1610 -0.0379 0.0356 433 LYS A N 2706 C CA . LYS A 387 ? 0.3921 0.4511 0.4440 -0.1630 -0.0335 0.0400 433 LYS A CA 2707 C C . LYS A 387 ? 0.4008 0.4318 0.4350 -0.1668 -0.0380 0.0350 433 LYS A C 2708 O O . LYS A 387 ? 0.4022 0.4254 0.4309 -0.1623 -0.0342 0.0355 433 LYS A O 2709 C CB . LYS A 387 ? 0.4207 0.4825 0.4800 -0.1707 -0.0330 0.0452 433 LYS A CB 2710 C CG . LYS A 387 ? 0.4664 0.5156 0.5220 -0.1735 -0.0279 0.0508 433 LYS A CG 2711 C CD . LYS A 387 ? 0.4963 0.5654 0.5664 -0.1727 -0.0206 0.0584 433 LYS A CD 2712 C CE . LYS A 387 ? 0.5346 0.5901 0.5994 -0.1779 -0.0164 0.0643 433 LYS A CE 2713 N NZ . LYS A 387 ? 0.5873 0.6469 0.6586 -0.1890 -0.0179 0.0681 433 LYS A NZ 2714 N N . SER A 388 ? 0.4064 0.4198 0.4300 -0.1745 -0.0469 0.0295 434 SER A N 2715 C CA . SER A 388 ? 0.4077 0.3880 0.4109 -0.1773 -0.0528 0.0239 434 SER A CA 2716 C C . SER A 388 ? 0.3769 0.3551 0.3703 -0.1603 -0.0509 0.0155 434 SER A C 2717 O O . SER A 388 ? 0.3801 0.3413 0.3624 -0.1513 -0.0484 0.0135 434 SER A O 2718 C CB . SER A 388 ? 0.4353 0.3960 0.4270 -0.1849 -0.0637 0.0175 434 SER A CB 2719 O OG . SER A 388 ? 0.4544 0.4098 0.4506 -0.1934 -0.0633 0.0244 434 SER A OG 2720 N N . TRP A 389 ? 0.3403 0.3369 0.3378 -0.1555 -0.0521 0.0107 435 TRP A N 2721 C CA . TRP A 389 ? 0.3233 0.3237 0.3143 -0.1406 -0.0494 0.0038 435 TRP A CA 2722 C C . TRP A 389 ? 0.3192 0.3278 0.3175 -0.1329 -0.0403 0.0092 435 TRP A C 2723 O O . TRP A 389 ? 0.3198 0.3166 0.3082 -0.1223 -0.0386 0.0047 435 TRP A O 2724 C CB . TRP A 389 ? 0.2994 0.3219 0.2958 -0.1394 -0.0510 0.0009 435 TRP A CB 2725 C CG . TRP A 389 ? 0.3163 0.3395 0.3011 -0.1270 -0.0516 -0.0089 435 TRP A CG 2726 C CD1 . TRP A 389 ? 0.3324 0.3480 0.3032 -0.1244 -0.0585 -0.0188 435 TRP A CD1 2727 C CD2 . TRP A 389 ? 0.3061 0.3404 0.2929 -0.1157 -0.0449 -0.0096 435 TRP A CD2 2728 N NE1 . TRP A 389 ? 0.3235 0.3470 0.2879 -0.1119 -0.0557 -0.0253 435 TRP A NE1 2729 C CE2 . TRP A 389 ? 0.3150 0.3504 0.2898 -0.1073 -0.0475 -0.0196 435 TRP A CE2 2730 C CE3 . TRP A 389 ? 0.2342 0.2780 0.2316 -0.1121 -0.0375 -0.0031 435 TRP A CE3 2731 C CZ2 . TRP A 389 ? 0.3106 0.3587 0.2857 -0.0968 -0.0424 -0.0224 435 TRP A CZ2 2732 C CZ3 . TRP A 389 ? 0.2946 0.3478 0.2912 -0.1019 -0.0335 -0.0064 435 TRP A CZ3 2733 C CH2 . TRP A 389 ? 0.3021 0.3585 0.2886 -0.0949 -0.0357 -0.0156 435 TRP A CH2 2734 N N . SER A 390 ? 0.3153 0.3440 0.3305 -0.1372 -0.0350 0.0185 436 SER A N 2735 C CA . SER A 390 ? 0.3193 0.3558 0.3408 -0.1293 -0.0272 0.0230 436 SER A CA 2736 C C . SER A 390 ? 0.3520 0.3673 0.3642 -0.1268 -0.0249 0.0244 436 SER A C 2737 O O . SER A 390 ? 0.3604 0.3725 0.3687 -0.1161 -0.0212 0.0228 436 SER A O 2738 C CB . SER A 390 ? 0.3101 0.3698 0.3496 -0.1338 -0.0230 0.0322 436 SER A CB 2739 O OG . SER A 390 ? 0.3043 0.3703 0.3482 -0.1248 -0.0165 0.0353 436 SER A OG 2740 N N . TRP A 391 ? 0.3630 0.3631 0.3709 -0.1370 -0.0276 0.0278 437 TRP A N 2741 C CA . TRP A 391 ? 0.3881 0.3654 0.3848 -0.1357 -0.0259 0.0302 437 TRP A CA 2742 C C . TRP A 391 ? 0.3850 0.3375 0.3619 -0.1253 -0.0304 0.0203 437 TRP A C 2743 O O . TRP A 391 ? 0.3773 0.3182 0.3461 -0.1161 -0.0275 0.0201 437 TRP A O 2744 C CB . TRP A 391 ? 0.4440 0.4113 0.4407 -0.1513 -0.0281 0.0371 437 TRP A CB 2745 C CG . TRP A 391 ? 0.4704 0.4595 0.4841 -0.1580 -0.0209 0.0483 437 TRP A CG 2746 C CD1 . TRP A 391 ? 0.4644 0.4840 0.4964 -0.1567 -0.0177 0.0508 437 TRP A CD1 2747 C CD2 . TRP A 391 ? 0.4779 0.4608 0.4904 -0.1624 -0.0153 0.0575 437 TRP A CD2 2748 N NE1 . TRP A 391 ? 0.4665 0.4991 0.5084 -0.1552 -0.0105 0.0584 437 TRP A NE1 2749 C CE2 . TRP A 391 ? 0.4706 0.4831 0.5015 -0.1591 -0.0084 0.0629 437 TRP A CE2 2750 C CE3 . TRP A 391 ? 0.4781 0.4325 0.4737 -0.1630 -0.0153 0.0597 437 TRP A CE3 2751 C CZ2 . TRP A 391 ? 0.4566 0.4736 0.4908 -0.1595 -0.0011 0.0709 437 TRP A CZ2 2752 C CZ3 . TRP A 391 ? 0.4797 0.4382 0.4785 -0.1661 -0.0080 0.0697 437 TRP A CZ3 2753 C CH2 . TRP A 391 ? 0.4671 0.4583 0.4857 -0.1634 -0.0006 0.0745 437 TRP A CH2 2754 N N . ASN A 392 ? 0.3899 0.3344 0.3583 -0.1254 -0.0380 0.0116 438 ASN A N 2755 C CA . ASN A 392 ? 0.4109 0.3340 0.3604 -0.1136 -0.0427 0.0010 438 ASN A CA 2756 C C . ASN A 392 ? 0.3740 0.3132 0.3266 -0.0988 -0.0382 -0.0039 438 ASN A C 2757 O O . ASN A 392 ? 0.3897 0.3154 0.3309 -0.0872 -0.0385 -0.0088 438 ASN A O 2758 C CB . ASN A 392 ? 0.4391 0.3522 0.3784 -0.1160 -0.0519 -0.0079 438 ASN A CB 2759 C CG . ASN A 392 ? 0.4730 0.3597 0.4029 -0.1291 -0.0590 -0.0055 438 ASN A CG 2760 O OD1 . ASN A 392 ? 0.5264 0.3820 0.4385 -0.1263 -0.0632 -0.0079 438 ASN A OD1 2761 N ND2 . ASN A 392 ? 0.4551 0.3538 0.3965 -0.1437 -0.0610 -0.0006 438 ASN A ND2 2762 N N . TYR A 393 ? 0.3226 0.2905 0.2903 -0.0993 -0.0346 -0.0024 439 TYR A N 2763 C CA . TYR A 393 ? 0.3016 0.2860 0.2742 -0.0881 -0.0301 -0.0053 439 TYR A CA 2764 C C . TYR A 393 ? 0.3182 0.2998 0.2935 -0.0832 -0.0247 0.0001 439 TYR A C 2765 O O . TYR A 393 ? 0.3171 0.2955 0.2867 -0.0717 -0.0240 -0.0050 439 TYR A O 2766 C CB . TYR A 393 ? 0.2659 0.2786 0.2536 -0.0919 -0.0276 -0.0024 439 TYR A CB 2767 C CG . TYR A 393 ? 0.2546 0.2842 0.2469 -0.0825 -0.0241 -0.0054 439 TYR A CG 2768 C CD1 . TYR A 393 ? 0.2558 0.2911 0.2413 -0.0758 -0.0263 -0.0144 439 TYR A CD1 2769 C CD2 . TYR A 393 ? 0.2451 0.2858 0.2483 -0.0806 -0.0187 0.0008 439 TYR A CD2 2770 C CE1 . TYR A 393 ? 0.2452 0.2983 0.2362 -0.0689 -0.0228 -0.0164 439 TYR A CE1 2771 C CE2 . TYR A 393 ? 0.2362 0.2915 0.2440 -0.0739 -0.0163 -0.0016 439 TYR A CE2 2772 C CZ . TYR A 393 ? 0.2386 0.3010 0.2410 -0.0688 -0.0182 -0.0098 439 TYR A CZ 2773 O OH . TYR A 393 ? 0.2265 0.3055 0.2346 -0.0638 -0.0157 -0.0114 439 TYR A OH 2774 N N . TYR A 394 ? 0.3219 0.3056 0.3055 -0.0914 -0.0210 0.0100 440 TYR A N 2775 C CA . TYR A 394 ? 0.3249 0.3050 0.3090 -0.0866 -0.0159 0.0153 440 TYR A CA 2776 C C . TYR A 394 ? 0.3442 0.2969 0.3100 -0.0795 -0.0185 0.0114 440 TYR A C 2777 O O . TYR A 394 ? 0.3274 0.2774 0.2895 -0.0690 -0.0164 0.0098 440 TYR A O 2778 C CB . TYR A 394 ? 0.3285 0.3145 0.3220 -0.0971 -0.0119 0.0262 440 TYR A CB 2779 C CG . TYR A 394 ? 0.3228 0.3172 0.3225 -0.0919 -0.0052 0.0324 440 TYR A CG 2780 C CD1 . TYR A 394 ? 0.3068 0.3235 0.3199 -0.0885 -0.0021 0.0338 440 TYR A CD1 2781 C CD2 . TYR A 394 ? 0.3333 0.3123 0.3242 -0.0906 -0.0023 0.0371 440 TYR A CD2 2782 C CE1 . TYR A 394 ? 0.2976 0.3204 0.3150 -0.0829 0.0030 0.0386 440 TYR A CE1 2783 C CE2 . TYR A 394 ? 0.3204 0.3073 0.3154 -0.0849 0.0036 0.0422 440 TYR A CE2 2784 C CZ . TYR A 394 ? 0.3040 0.3127 0.3124 -0.0808 0.0061 0.0425 440 TYR A CZ 2785 O OH . TYR A 394 ? 0.2951 0.3102 0.3062 -0.0741 0.0111 0.0467 440 TYR A OH 2786 N N . ARG A 395 ? 0.3885 0.3193 0.3418 -0.0849 -0.0240 0.0096 441 ARG A N 2787 C CA . ARG A 395 ? 0.4449 0.3458 0.3784 -0.0780 -0.0276 0.0061 441 ARG A CA 2788 C C . ARG A 395 ? 0.4430 0.3422 0.3680 -0.0625 -0.0312 -0.0059 441 ARG A C 2789 O O . ARG A 395 ? 0.4566 0.3420 0.3706 -0.0514 -0.0318 -0.0087 441 ARG A O 2790 C CB . ARG A 395 ? 0.5060 0.3818 0.4277 -0.0889 -0.0338 0.0073 441 ARG A CB 2791 C CG . ARG A 395 ? 0.5895 0.4297 0.4881 -0.0824 -0.0392 0.0040 441 ARG A CG 2792 C CD . ARG A 395 ? 0.6671 0.4825 0.5565 -0.0974 -0.0430 0.0109 441 ARG A CD 2793 N NE . ARG A 395 ? 0.7418 0.5227 0.6083 -0.0930 -0.0533 0.0023 441 ARG A NE 2794 C CZ . ARG A 395 ? 0.7930 0.5668 0.6553 -0.0981 -0.0611 -0.0043 441 ARG A CZ 2795 N NH1 . ARG A 395 ? 0.8030 0.6026 0.6831 -0.1086 -0.0596 -0.0027 441 ARG A NH1 2796 N NH2 . ARG A 395 ? 0.8093 0.5491 0.6485 -0.0921 -0.0712 -0.0129 441 ARG A NH2 2797 N N . ILE A 396 ? 0.4149 0.3300 0.3451 -0.0612 -0.0334 -0.0130 442 ILE A N 2798 C CA . ILE A 396 ? 0.3923 0.3124 0.3169 -0.0467 -0.0357 -0.0242 442 ILE A CA 2799 C C . ILE A 396 ? 0.3512 0.2906 0.2864 -0.0386 -0.0301 -0.0232 442 ILE A C 2800 O O . ILE A 396 ? 0.3580 0.2915 0.2853 -0.0257 -0.0316 -0.0293 442 ILE A O 2801 C CB . ILE A 396 ? 0.3779 0.3135 0.3058 -0.0484 -0.0383 -0.0307 442 ILE A CB 2802 C CG1 . ILE A 396 ? 0.3953 0.3083 0.3102 -0.0552 -0.0456 -0.0334 442 ILE A CG1 2803 C CG2 . ILE A 396 ? 0.3715 0.3178 0.2953 -0.0337 -0.0395 -0.0418 442 ILE A CG2 2804 C CD1 . ILE A 396 ? 0.3882 0.3175 0.3074 -0.0600 -0.0478 -0.0375 442 ILE A CD1 2805 N N . VAL A 397 ? 0.3014 0.2629 0.2540 -0.0457 -0.0245 -0.0157 443 VAL A N 2806 C CA . VAL A 397 ? 0.3031 0.2807 0.2654 -0.0393 -0.0202 -0.0144 443 VAL A CA 2807 C C . VAL A 397 ? 0.3374 0.2971 0.2905 -0.0322 -0.0197 -0.0126 443 VAL A C 2808 O O . VAL A 397 ? 0.3473 0.3106 0.2993 -0.0212 -0.0200 -0.0174 443 VAL A O 2809 C CB . VAL A 397 ? 0.2803 0.2791 0.2601 -0.0483 -0.0154 -0.0061 443 VAL A CB 2810 C CG1 . VAL A 397 ? 0.2659 0.2734 0.2528 -0.0426 -0.0119 -0.0035 443 VAL A CG1 2811 C CG2 . VAL A 397 ? 0.2627 0.2822 0.2510 -0.0522 -0.0159 -0.0088 443 VAL A CG2 2812 N N . ALA A 398 ? 0.3423 0.2834 0.2887 -0.0386 -0.0189 -0.0053 444 ALA A N 2813 C CA . ALA A 398 ? 0.3370 0.2606 0.2728 -0.0320 -0.0180 -0.0025 444 ALA A CA 2814 C C . ALA A 398 ? 0.3788 0.2815 0.2964 -0.0197 -0.0241 -0.0114 444 ALA A C 2815 O O . ALA A 398 ? 0.3871 0.2861 0.2994 -0.0083 -0.0244 -0.0140 444 ALA A O 2816 C CB . ALA A 398 ? 0.3157 0.2255 0.2477 -0.0428 -0.0153 0.0082 444 ALA A CB 2817 N N . ARG A 399 ? 0.4077 0.2962 0.3150 -0.0209 -0.0296 -0.0168 445 ARG A N 2818 C CA . ARG A 399 ? 0.4308 0.2991 0.3198 -0.0074 -0.0364 -0.0265 445 ARG A CA 2819 C C . ARG A 399 ? 0.4179 0.3077 0.3133 0.0066 -0.0367 -0.0360 445 ARG A C 2820 O O . ARG A 399 ? 0.4253 0.3051 0.3104 0.0202 -0.0399 -0.0412 445 ARG A O 2821 C CB . ARG A 399 ? 0.4522 0.3039 0.3298 -0.0107 -0.0429 -0.0319 445 ARG A CB 2822 C CG . ARG A 399 ? 0.4685 0.3026 0.3277 0.0054 -0.0507 -0.0442 445 ARG A CG 2823 C CD . ARG A 399 ? 0.4837 0.2884 0.3246 0.0144 -0.0536 -0.0426 445 ARG A CD 2824 N NE . ARG A 399 ? 0.5020 0.2889 0.3243 0.0313 -0.0622 -0.0550 445 ARG A NE 2825 C CZ . ARG A 399 ? 0.4880 0.2935 0.3136 0.0476 -0.0632 -0.0652 445 ARG A CZ 2826 N NH1 . ARG A 399 ? 0.4557 0.2962 0.3022 0.0479 -0.0566 -0.0639 445 ARG A NH1 2827 N NH2 . ARG A 399 ? 0.5095 0.2987 0.3174 0.0637 -0.0714 -0.0768 445 ARG A NH2 2828 N N . TYR A 400 ? 0.3973 0.3173 0.3098 0.0031 -0.0338 -0.0380 446 TYR A N 2829 C CA . TYR A 400 ? 0.3948 0.3377 0.3141 0.0141 -0.0344 -0.0471 446 TYR A CA 2830 C C . TYR A 400 ? 0.3747 0.3418 0.3115 0.0128 -0.0292 -0.0428 446 TYR A C 2831 O O . TYR A 400 ? 0.3748 0.3684 0.3238 0.0147 -0.0280 -0.0470 446 TYR A O 2832 C CB . TYR A 400 ? 0.4029 0.3613 0.3256 0.0124 -0.0356 -0.0536 446 TYR A CB 2833 C CG . TYR A 400 ? 0.4398 0.3726 0.3424 0.0179 -0.0426 -0.0610 446 TYR A CG 2834 C CD1 . TYR A 400 ? 0.4562 0.3779 0.3445 0.0349 -0.0481 -0.0713 446 TYR A CD1 2835 C CD2 . TYR A 400 ? 0.4430 0.3612 0.3399 0.0067 -0.0446 -0.0580 446 TYR A CD2 2836 C CE1 . TYR A 400 ? 0.4832 0.3778 0.3508 0.0413 -0.0556 -0.0787 446 TYR A CE1 2837 C CE2 . TYR A 400 ? 0.4634 0.3547 0.3403 0.0115 -0.0524 -0.0652 446 TYR A CE2 2838 C CZ . TYR A 400 ? 0.4846 0.3627 0.3460 0.0292 -0.0579 -0.0756 446 TYR A CZ 2839 O OH . TYR A 400 ? 0.4976 0.3458 0.3370 0.0355 -0.0667 -0.0834 446 TYR A OH 2840 N N . GLU A 401 ? 0.3654 0.3227 0.3022 0.0099 -0.0266 -0.0346 447 GLU A N 2841 C CA . GLU A 401 ? 0.3602 0.3363 0.3115 0.0088 -0.0227 -0.0305 447 GLU A CA 2842 C C . GLU A 401 ? 0.3603 0.3515 0.3157 0.0203 -0.0252 -0.0389 447 GLU A C 2843 O O . GLU A 401 ? 0.3485 0.3635 0.3194 0.0172 -0.0232 -0.0385 447 GLU A O 2844 C CB . GLU A 401 ? 0.3720 0.3323 0.3182 0.0074 -0.0202 -0.0220 447 GLU A CB 2845 C CG . GLU A 401 ? 0.4022 0.3353 0.3286 0.0174 -0.0237 -0.0239 447 GLU A CG 2846 C CD . GLU A 401 ? 0.4187 0.3392 0.3398 0.0158 -0.0201 -0.0147 447 GLU A CD 2847 O OE1 . GLU A 401 ? 0.4086 0.3418 0.3383 0.0180 -0.0177 -0.0127 447 GLU A OE1 2848 O OE2 . GLU A 401 ? 0.4447 0.3426 0.3525 0.0119 -0.0198 -0.0091 447 GLU A OE2 2849 N N . ASN A 402 ? 0.3787 0.3568 0.3206 0.0334 -0.0300 -0.0465 448 ASN A N 2850 C CA . ASN A 402 ? 0.3791 0.3748 0.3265 0.0446 -0.0328 -0.0548 448 ASN A CA 2851 C C . ASN A 402 ? 0.3761 0.4000 0.3351 0.0437 -0.0324 -0.0613 448 ASN A C 2852 O O . ASN A 402 ? 0.3690 0.4182 0.3414 0.0457 -0.0322 -0.0645 448 ASN A O 2853 C CB . ASN A 402 ? 0.4002 0.3758 0.3296 0.0605 -0.0388 -0.0621 448 ASN A CB 2854 C CG . ASN A 402 ? 0.4182 0.3708 0.3364 0.0637 -0.0392 -0.0563 448 ASN A CG 2855 O OD1 . ASN A 402 ? 0.4305 0.3785 0.3521 0.0536 -0.0346 -0.0465 448 ASN A OD1 2856 N ND2 . ASN A 402 ? 0.4211 0.3596 0.3251 0.0787 -0.0449 -0.0625 448 ASN A ND2 2857 N N . THR A 403 ? 0.3775 0.3978 0.3311 0.0405 -0.0325 -0.0632 449 THR A N 2858 C CA . THR A 403 ? 0.3718 0.4167 0.3321 0.0415 -0.0322 -0.0701 449 THR A CA 2859 C C . THR A 403 ? 0.3702 0.4377 0.3469 0.0267 -0.0269 -0.0633 449 THR A C 2860 O O . THR A 403 ? 0.3490 0.4458 0.3380 0.0260 -0.0251 -0.0661 449 THR A O 2861 C CB . THR A 403 ? 0.3732 0.4000 0.3164 0.0467 -0.0361 -0.0763 449 THR A CB 2862 O OG1 . THR A 403 ? 0.3913 0.3974 0.3181 0.0623 -0.0420 -0.0837 449 THR A OG1 2863 C CG2 . THR A 403 ? 0.3488 0.4019 0.2975 0.0477 -0.0351 -0.0832 449 THR A CG2 2864 N N . LEU A 404 ? 0.3848 0.4398 0.3617 0.0149 -0.0245 -0.0540 450 LEU A N 2865 C CA . LEU A 404 ? 0.3730 0.4466 0.3648 0.0018 -0.0202 -0.0465 450 LEU A CA 2866 C C . LEU A 404 ? 0.3435 0.4316 0.3485 0.0005 -0.0187 -0.0432 450 LEU A C 2867 O O . LEU A 404 ? 0.3553 0.4297 0.3579 0.0035 -0.0194 -0.0404 450 LEU A O 2868 C CB . LEU A 404 ? 0.3884 0.4454 0.3777 -0.0087 -0.0187 -0.0377 450 LEU A CB 2869 C CG . LEU A 404 ? 0.4420 0.5037 0.4307 -0.0166 -0.0185 -0.0373 450 LEU A CG 2870 C CD1 . LEU A 404 ? 0.4936 0.5413 0.4821 -0.0271 -0.0174 -0.0282 450 LEU A CD1 2871 C CD2 . LEU A 404 ? 0.4184 0.5097 0.4201 -0.0217 -0.0158 -0.0366 450 LEU A CD2 2872 N N . ALA A 405 ? 0.2906 0.4055 0.3085 -0.0043 -0.0169 -0.0432 451 ALA A N 2873 C CA . ALA A 405 ? 0.2641 0.3918 0.2946 -0.0071 -0.0165 -0.0400 451 ALA A CA 2874 C C . ALA A 405 ? 0.2585 0.3907 0.2983 -0.0202 -0.0139 -0.0301 451 ALA A C 2875 O O . ALA A 405 ? 0.2553 0.3861 0.3013 -0.0225 -0.0146 -0.0259 451 ALA A O 2876 C CB . ALA A 405 ? 0.2600 0.4153 0.2992 -0.0037 -0.0171 -0.0467 451 ALA A CB 2877 N N . ALA A 406 ? 0.2504 0.3872 0.2903 -0.0280 -0.0118 -0.0268 452 ALA A N 2878 C CA . ALA A 406 ? 0.2307 0.3728 0.2787 -0.0395 -0.0100 -0.0176 452 ALA A CA 2879 C C . ALA A 406 ? 0.2338 0.3741 0.2774 -0.0452 -0.0087 -0.0151 452 ALA A C 2880 O O . ALA A 406 ? 0.2399 0.3836 0.2768 -0.0420 -0.0089 -0.0212 452 ALA A O 2881 C CB . ALA A 406 ? 0.2156 0.3808 0.2751 -0.0452 -0.0095 -0.0162 452 ALA A CB 2882 N N . GLN A 407 ? 0.2335 0.3688 0.2805 -0.0529 -0.0079 -0.0067 453 GLN A N 2883 C CA . GLN A 407 ? 0.2400 0.3745 0.2845 -0.0594 -0.0075 -0.0033 453 GLN A CA 2884 C C . GLN A 407 ? 0.2328 0.3771 0.2854 -0.0683 -0.0069 0.0051 453 GLN A C 2885 O O . GLN A 407 ? 0.2209 0.3605 0.2788 -0.0695 -0.0072 0.0104 453 GLN A O 2886 C CB . GLN A 407 ? 0.2328 0.3477 0.2714 -0.0589 -0.0080 -0.0013 453 GLN A CB 2887 C CG . GLN A 407 ? 0.2333 0.3335 0.2612 -0.0512 -0.0094 -0.0083 453 GLN A CG 2888 C CD . GLN A 407 ? 0.2534 0.3354 0.2762 -0.0539 -0.0097 -0.0043 453 GLN A CD 2889 O OE1 . GLN A 407 ? 0.2772 0.3589 0.2996 -0.0609 -0.0103 -0.0018 453 GLN A OE1 2890 N NE2 . GLN A 407 ? 0.2657 0.3337 0.2850 -0.0491 -0.0091 -0.0032 453 GLN A NE2 2891 N N . PHE A 408 ? 0.2368 0.3930 0.2887 -0.0739 -0.0065 0.0061 454 PHE A N 2892 C CA . PHE A 408 ? 0.2242 0.3898 0.2819 -0.0821 -0.0064 0.0142 454 PHE A CA 2893 C C . PHE A 408 ? 0.2355 0.4016 0.2895 -0.0871 -0.0072 0.0172 454 PHE A C 2894 O O . PHE A 408 ? 0.2295 0.4012 0.2770 -0.0866 -0.0072 0.0122 454 PHE A O 2895 C CB . PHE A 408 ? 0.1950 0.3795 0.2559 -0.0850 -0.0051 0.0136 454 PHE A CB 2896 C CG . PHE A 408 ? 0.1735 0.3614 0.2391 -0.0806 -0.0050 0.0096 454 PHE A CG 2897 C CD1 . PHE A 408 ? 0.1727 0.3662 0.2352 -0.0727 -0.0043 0.0002 454 PHE A CD1 2898 C CD2 . PHE A 408 ? 0.1532 0.3374 0.2251 -0.0833 -0.0065 0.0147 454 PHE A CD2 2899 C CE1 . PHE A 408 ? 0.1609 0.3599 0.2285 -0.0683 -0.0049 -0.0038 454 PHE A CE1 2900 C CE2 . PHE A 408 ? 0.1504 0.3402 0.2278 -0.0805 -0.0074 0.0107 454 PHE A CE2 2901 C CZ . PHE A 408 ? 0.1492 0.3468 0.2247 -0.0728 -0.0065 0.0015 454 PHE A CZ 2902 N N . PHE A 409 ? 0.2276 0.3867 0.2845 -0.0901 -0.0084 0.0246 455 PHE A N 2903 C CA . PHE A 409 ? 0.2089 0.3669 0.2622 -0.0932 -0.0100 0.0276 455 PHE A CA 2904 C C . PHE A 409 ? 0.2119 0.3667 0.2653 -0.0936 -0.0111 0.0350 455 PHE A C 2905 O O . PHE A 409 ? 0.2126 0.3643 0.2686 -0.0922 -0.0110 0.0376 455 PHE A O 2906 C CB . PHE A 409 ? 0.1906 0.3396 0.2450 -0.0935 -0.0111 0.0274 455 PHE A CB 2907 C CG . PHE A 409 ? 0.1872 0.3297 0.2357 -0.0904 -0.0109 0.0194 455 PHE A CG 2908 C CD1 . PHE A 409 ? 0.1698 0.3028 0.2178 -0.0841 -0.0095 0.0163 455 PHE A CD1 2909 C CD2 . PHE A 409 ? 0.1940 0.3367 0.2348 -0.0917 -0.0129 0.0144 455 PHE A CD2 2910 C CE1 . PHE A 409 ? 0.1760 0.2989 0.2156 -0.0793 -0.0101 0.0089 455 PHE A CE1 2911 C CE2 . PHE A 409 ? 0.1958 0.3276 0.2281 -0.0869 -0.0138 0.0065 455 PHE A CE2 2912 C CZ . PHE A 409 ? 0.1883 0.3098 0.2199 -0.0806 -0.0124 0.0039 455 PHE A CZ 2913 N N . GLY A 410 ? 0.2021 0.3588 0.2526 -0.0964 -0.0131 0.0382 456 GLY A N 2914 C CA . GLY A 410 ? 0.2103 0.3648 0.2607 -0.0974 -0.0154 0.0454 456 GLY A CA 2915 C C . GLY A 410 ? 0.2439 0.3972 0.2955 -0.0980 -0.0181 0.0480 456 GLY A C 2916 O O . GLY A 410 ? 0.2324 0.3800 0.2887 -0.0954 -0.0178 0.0472 456 GLY A O 2917 N N . HIS A 411 ? 0.2647 0.4248 0.3121 -0.1019 -0.0207 0.0516 457 HIS A N 2918 C CA . HIS A 411 ? 0.2819 0.4448 0.3301 -0.1037 -0.0241 0.0536 457 HIS A CA 2919 C C . HIS A 411 ? 0.2866 0.4462 0.3418 -0.1009 -0.0263 0.0591 457 HIS A C 2920 O O . HIS A 411 ? 0.3032 0.4687 0.3589 -0.1029 -0.0303 0.0638 457 HIS A O 2921 C CB . HIS A 411 ? 0.2959 0.4583 0.3445 -0.1046 -0.0238 0.0471 457 HIS A CB 2922 C CG . HIS A 411 ? 0.3257 0.4911 0.3765 -0.1069 -0.0276 0.0485 457 HIS A CG 2923 N ND1 . HIS A 411 ? 0.3620 0.5362 0.4080 -0.1113 -0.0316 0.0498 457 HIS A ND1 2924 C CD2 . HIS A 411 ? 0.3314 0.4936 0.3889 -0.1057 -0.0282 0.0488 457 HIS A CD2 2925 C CE1 . HIS A 411 ? 0.3368 0.5126 0.3871 -0.1125 -0.0350 0.0504 457 HIS A CE1 2926 N NE2 . HIS A 411 ? 0.3314 0.5005 0.3890 -0.1093 -0.0327 0.0499 457 HIS A NE2 2927 N N . THR A 412 ? 0.2569 0.4095 0.3176 -0.0964 -0.0243 0.0589 458 THR A N 2928 C CA . THR A 412 ? 0.2402 0.3936 0.3083 -0.0937 -0.0265 0.0642 458 THR A CA 2929 C C . THR A 412 ? 0.2599 0.4138 0.3277 -0.0950 -0.0304 0.0717 458 THR A C 2930 O O . THR A 412 ? 0.2697 0.4280 0.3438 -0.0936 -0.0342 0.0775 458 THR A O 2931 C CB . THR A 412 ? 0.2104 0.3585 0.2845 -0.0890 -0.0234 0.0625 458 THR A CB 2932 O OG1 . THR A 412 ? 0.2070 0.3487 0.2797 -0.0877 -0.0222 0.0623 458 THR A OG1 2933 C CG2 . THR A 412 ? 0.1900 0.3359 0.2637 -0.0892 -0.0200 0.0564 458 THR A CG2 2934 N N . HIS A 413 ? 0.2705 0.4211 0.3318 -0.0979 -0.0299 0.0723 459 HIS A N 2935 C CA . HIS A 413 ? 0.2941 0.4429 0.3533 -0.1014 -0.0341 0.0803 459 HIS A CA 2936 C C . HIS A 413 ? 0.2758 0.4163 0.3407 -0.0990 -0.0358 0.0834 459 HIS A C 2937 O O . HIS A 413 ? 0.2814 0.4159 0.3438 -0.1030 -0.0396 0.0897 459 HIS A O 2938 C CB . HIS A 413 ? 0.3133 0.4695 0.3726 -0.1047 -0.0399 0.0879 459 HIS A CB 2939 C CG . HIS A 413 ? 0.3420 0.5065 0.3934 -0.1094 -0.0399 0.0870 459 HIS A CG 2940 N ND1 . HIS A 413 ? 0.3534 0.5252 0.4023 -0.1140 -0.0457 0.0945 459 HIS A ND1 2941 C CD2 . HIS A 413 ? 0.3431 0.5110 0.3890 -0.1104 -0.0357 0.0800 459 HIS A CD2 2942 C CE1 . HIS A 413 ? 0.3579 0.5376 0.3994 -0.1178 -0.0446 0.0919 459 HIS A CE1 2943 N NE2 . HIS A 413 ? 0.3700 0.5476 0.4098 -0.1157 -0.0386 0.0830 459 HIS A NE2 2944 N N . VAL A 414 ? 0.2426 0.3818 0.3144 -0.0935 -0.0334 0.0796 460 VAL A N 2945 C CA . VAL A 414 ? 0.2302 0.3605 0.3059 -0.0888 -0.0352 0.0812 460 VAL A CA 2946 C C . VAL A 414 ? 0.2420 0.3685 0.3182 -0.0890 -0.0311 0.0755 460 VAL A C 2947 O O . VAL A 414 ? 0.2564 0.3849 0.3286 -0.0891 -0.0264 0.0689 460 VAL A O 2948 C CB . VAL A 414 ? 0.1888 0.3206 0.2699 -0.0796 -0.0355 0.0811 460 VAL A CB 2949 C CG1 . VAL A 414 ? 0.1616 0.2977 0.2424 -0.0781 -0.0408 0.0866 460 VAL A CG1 2950 C CG2 . VAL A 414 ? 0.1677 0.3092 0.2546 -0.0797 -0.0299 0.0763 460 VAL A CG2 2951 N N . ASP A 415 ? 0.2328 0.3470 0.3083 -0.0838 -0.0330 0.0751 461 ASP A N 2952 C CA . ASP A 415 ? 0.2081 0.3177 0.2837 -0.0833 -0.0307 0.0699 461 ASP A CA 2953 C C . ASP A 415 ? 0.2284 0.3360 0.3065 -0.0745 -0.0272 0.0653 461 ASP A C 2954 O O . ASP A 415 ? 0.2504 0.3495 0.3279 -0.0662 -0.0293 0.0659 461 ASP A O 2955 C CB . ASP A 415 ? 0.1889 0.2853 0.2611 -0.0842 -0.0360 0.0722 461 ASP A CB 2956 C CG . ASP A 415 ? 0.1784 0.2724 0.2516 -0.0850 -0.0347 0.0668 461 ASP A CG 2957 O OD1 . ASP A 415 ? 0.1644 0.2638 0.2398 -0.0818 -0.0299 0.0608 461 ASP A OD1 2958 O OD2 . ASP A 415 ? 0.1915 0.2773 0.2630 -0.0892 -0.0392 0.0686 461 ASP A OD2 2959 N N . GLU A 416 ? 0.2074 0.3218 0.2869 -0.0757 -0.0222 0.0607 462 GLU A N 2960 C CA . GLU A 416 ? 0.1903 0.3027 0.2709 -0.0687 -0.0185 0.0576 462 GLU A CA 2961 C C . GLU A 416 ? 0.1796 0.2932 0.2583 -0.0705 -0.0148 0.0517 462 GLU A C 2962 O O . GLU A 416 ? 0.1695 0.2859 0.2469 -0.0752 -0.0153 0.0493 462 GLU A O 2963 C CB . GLU A 416 ? 0.1748 0.2950 0.2594 -0.0675 -0.0173 0.0609 462 GLU A CB 2964 C CG . GLU A 416 ? 0.1802 0.3108 0.2662 -0.0758 -0.0168 0.0614 462 GLU A CG 2965 C CD . GLU A 416 ? 0.2042 0.3438 0.2951 -0.0757 -0.0164 0.0642 462 GLU A CD 2966 O OE1 . GLU A 416 ? 0.2074 0.3489 0.3024 -0.0702 -0.0143 0.0654 462 GLU A OE1 2967 O OE2 . GLU A 416 ? 0.2291 0.3714 0.3167 -0.0789 -0.0179 0.0635 462 GLU A OE2 2968 N N . PHE A 417 ? 0.1702 0.2821 0.2484 -0.0667 -0.0111 0.0496 463 PHE A N 2969 C CA . PHE A 417 ? 0.1672 0.2760 0.2414 -0.0663 -0.0085 0.0439 463 PHE A CA 2970 C C . PHE A 417 ? 0.1626 0.2704 0.2360 -0.0656 -0.0049 0.0443 463 PHE A C 2971 O O . PHE A 417 ? 0.1619 0.2733 0.2391 -0.0648 -0.0038 0.0488 463 PHE A O 2972 C CB . PHE A 417 ? 0.1606 0.2608 0.2317 -0.0599 -0.0093 0.0401 463 PHE A CB 2973 C CG . PHE A 417 ? 0.1618 0.2545 0.2320 -0.0517 -0.0092 0.0419 463 PHE A CG 2974 C CD1 . PHE A 417 ? 0.1652 0.2531 0.2316 -0.0460 -0.0054 0.0410 463 PHE A CD1 2975 C CD2 . PHE A 417 ? 0.1580 0.2477 0.2296 -0.0494 -0.0132 0.0447 463 PHE A CD2 2976 C CE1 . PHE A 417 ? 0.1672 0.2501 0.2316 -0.0375 -0.0047 0.0426 463 PHE A CE1 2977 C CE2 . PHE A 417 ? 0.1564 0.2392 0.2256 -0.0400 -0.0135 0.0454 463 PHE A CE2 2978 C CZ . PHE A 417 ? 0.1561 0.2368 0.2219 -0.0337 -0.0088 0.0442 463 PHE A CZ 2979 N N . GLU A 418 ? 0.1694 0.2723 0.2375 -0.0661 -0.0033 0.0396 464 GLU A N 2980 C CA . GLU A 418 ? 0.1925 0.2906 0.2578 -0.0666 -0.0004 0.0403 464 GLU A CA 2981 C C . GLU A 418 ? 0.1984 0.2840 0.2551 -0.0606 0.0008 0.0356 464 GLU A C 2982 O O . GLU A 418 ? 0.1833 0.2662 0.2357 -0.0596 -0.0009 0.0298 464 GLU A O 2983 C CB . GLU A 418 ? 0.2097 0.3114 0.2748 -0.0748 -0.0014 0.0397 464 GLU A CB 2984 C CG . GLU A 418 ? 0.2244 0.3386 0.2975 -0.0805 -0.0028 0.0449 464 GLU A CG 2985 C CD . GLU A 418 ? 0.2376 0.3545 0.3095 -0.0884 -0.0049 0.0434 464 GLU A CD 2986 O OE1 . GLU A 418 ? 0.2427 0.3515 0.3068 -0.0892 -0.0056 0.0378 464 GLU A OE1 2987 O OE2 . GLU A 418 ? 0.2333 0.3550 0.3079 -0.0894 -0.0063 0.0455 464 GLU A OE2 2988 N N . VAL A 419 ? 0.2065 0.2854 0.2602 -0.0558 0.0038 0.0380 465 VAL A N 2989 C CA . VAL A 419 ? 0.2133 0.2789 0.2571 -0.0491 0.0047 0.0344 465 VAL A CA 2990 C C . VAL A 419 ? 0.2234 0.2796 0.2600 -0.0532 0.0061 0.0345 465 VAL A C 2991 O O . VAL A 419 ? 0.2254 0.2847 0.2650 -0.0596 0.0083 0.0399 465 VAL A O 2992 C CB . VAL A 419 ? 0.2068 0.2689 0.2487 -0.0410 0.0070 0.0370 465 VAL A CB 2993 C CG1 . VAL A 419 ? 0.2151 0.2629 0.2453 -0.0332 0.0072 0.0330 465 VAL A CG1 2994 C CG2 . VAL A 419 ? 0.1494 0.2179 0.1974 -0.0375 0.0043 0.0369 465 VAL A CG2 2995 N N . PHE A 420 ? 0.2378 0.2823 0.2648 -0.0495 0.0041 0.0285 466 PHE A N 2996 C CA . PHE A 420 ? 0.2405 0.2705 0.2572 -0.0521 0.0040 0.0280 466 PHE A CA 2997 C C . PHE A 420 ? 0.2596 0.2744 0.2652 -0.0449 0.0060 0.0291 466 PHE A C 2998 O O . PHE A 420 ? 0.2755 0.2880 0.2779 -0.0355 0.0051 0.0254 466 PHE A O 2999 C CB . PHE A 420 ? 0.2512 0.2766 0.2622 -0.0512 -0.0003 0.0199 466 PHE A CB 3000 C CG . PHE A 420 ? 0.2545 0.2928 0.2729 -0.0587 -0.0022 0.0188 466 PHE A CG 3001 C CD1 . PHE A 420 ? 0.2407 0.2957 0.2689 -0.0588 -0.0026 0.0183 466 PHE A CD1 3002 C CD2 . PHE A 420 ? 0.2531 0.2851 0.2671 -0.0657 -0.0044 0.0182 466 PHE A CD2 3003 C CE1 . PHE A 420 ? 0.2339 0.3004 0.2670 -0.0654 -0.0043 0.0178 466 PHE A CE1 3004 C CE2 . PHE A 420 ? 0.2474 0.2910 0.2666 -0.0717 -0.0066 0.0167 466 PHE A CE2 3005 C CZ . PHE A 420 ? 0.2307 0.2922 0.2592 -0.0713 -0.0062 0.0167 466 PHE A CZ 3006 N N . TYR A 421 ? 0.2534 0.2578 0.2526 -0.0499 0.0083 0.0344 467 TYR A N 3007 C CA . TYR A 421 ? 0.2886 0.2770 0.2748 -0.0443 0.0106 0.0369 467 TYR A CA 3008 C C . TYR A 421 ? 0.3447 0.3106 0.3159 -0.0463 0.0074 0.0349 467 TYR A C 3009 O O . TYR A 421 ? 0.3580 0.3212 0.3295 -0.0533 0.0039 0.0324 467 TYR A O 3010 C CB . TYR A 421 ? 0.2908 0.2861 0.2809 -0.0485 0.0169 0.0468 467 TYR A CB 3011 C CG . TYR A 421 ? 0.2691 0.2822 0.2701 -0.0431 0.0193 0.0480 467 TYR A CG 3012 C CD1 . TYR A 421 ? 0.2542 0.2856 0.2701 -0.0481 0.0186 0.0486 467 TYR A CD1 3013 C CD2 . TYR A 421 ? 0.2631 0.2730 0.2579 -0.0323 0.0213 0.0481 467 TYR A CD2 3014 C CE1 . TYR A 421 ? 0.2471 0.2913 0.2711 -0.0425 0.0196 0.0495 467 TYR A CE1 3015 C CE2 . TYR A 421 ? 0.2536 0.2769 0.2565 -0.0266 0.0223 0.0484 467 TYR A CE2 3016 C CZ . TYR A 421 ? 0.2419 0.2815 0.2593 -0.0317 0.0213 0.0491 467 TYR A CZ 3017 O OH . TYR A 421 ? 0.2249 0.2745 0.2486 -0.0254 0.0211 0.0493 467 TYR A OH 3018 N N . ASP A 422 ? 0.3619 0.3100 0.3182 -0.0393 0.0080 0.0359 468 ASP A N 3019 C CA . ASP A 422 ? 0.4038 0.3260 0.3429 -0.0408 0.0048 0.0356 468 ASP A CA 3020 C C . ASP A 422 ? 0.4315 0.3498 0.3715 -0.0560 0.0069 0.0442 468 ASP A C 3021 O O . ASP A 422 ? 0.4301 0.3628 0.3797 -0.0628 0.0130 0.0527 468 ASP A O 3022 C CB . ASP A 422 ? 0.4204 0.3242 0.3424 -0.0306 0.0055 0.0369 468 ASP A CB 3023 C CG . ASP A 422 ? 0.4139 0.3223 0.3359 -0.0334 0.0132 0.0477 468 ASP A CG 3024 O OD1 . ASP A 422 ? 0.3895 0.3199 0.3254 -0.0323 0.0173 0.0496 468 ASP A OD1 3025 O OD2 . ASP A 422 ? 0.4302 0.3196 0.3372 -0.0363 0.0149 0.0544 468 ASP A OD2 3026 N N . GLU A 423 ? 0.4599 0.3581 0.3890 -0.0609 0.0014 0.0415 469 GLU A N 3027 C CA . GLU A 423 ? 0.4833 0.3735 0.4113 -0.0766 0.0015 0.0490 469 GLU A CA 3028 C C . GLU A 423 ? 0.4946 0.3745 0.4139 -0.0811 0.0071 0.0604 469 GLU A C 3029 O O . GLU A 423 ? 0.4887 0.3788 0.4166 -0.0947 0.0115 0.0698 469 GLU A O 3030 C CB . GLU A 423 ? 0.5280 0.3929 0.4419 -0.0786 -0.0072 0.0424 469 GLU A CB 3031 C CG . GLU A 423 ? 0.5517 0.4292 0.4749 -0.0786 -0.0119 0.0332 469 GLU A CG 3032 C CD . GLU A 423 ? 0.5996 0.4936 0.5379 -0.0942 -0.0110 0.0383 469 GLU A CD 3033 O OE1 . GLU A 423 ? 0.6237 0.5239 0.5683 -0.1044 -0.0058 0.0490 469 GLU A OE1 3034 O OE2 . GLU A 423 ? 0.6131 0.5151 0.5569 -0.0960 -0.0154 0.0317 469 GLU A OE2 3035 N N . GLU A 424 ? 0.5096 0.3706 0.4116 -0.0700 0.0071 0.0600 470 GLU A N 3036 C CA . GLU A 424 ? 0.5661 0.4115 0.4545 -0.0746 0.0116 0.0711 470 GLU A CA 3037 C C . GLU A 424 ? 0.5333 0.4049 0.4344 -0.0773 0.0218 0.0806 470 GLU A C 3038 O O . GLU A 424 ? 0.5430 0.4149 0.4431 -0.0894 0.0271 0.0920 470 GLU A O 3039 C CB . GLU A 424 ? 0.6299 0.4487 0.4952 -0.0601 0.0084 0.0677 470 GLU A CB 3040 C CG . GLU A 424 ? 0.6824 0.4723 0.5313 -0.0546 -0.0019 0.0584 470 GLU A CG 3041 C CD . GLU A 424 ? 0.6879 0.4914 0.5460 -0.0427 -0.0069 0.0444 470 GLU A CD 3042 O OE1 . GLU A 424 ? 0.6789 0.5130 0.5580 -0.0435 -0.0031 0.0426 470 GLU A OE1 3043 O OE2 . GLU A 424 ? 0.7020 0.4857 0.5458 -0.0322 -0.0146 0.0353 470 GLU A OE2 3044 N N . THR A 425 ? 0.4921 0.3855 0.4044 -0.0661 0.0245 0.0761 471 THR A N 3045 C CA . THR A 425 ? 0.4687 0.3843 0.3896 -0.0645 0.0333 0.0834 471 THR A CA 3046 C C . THR A 425 ? 0.4245 0.3717 0.3688 -0.0649 0.0351 0.0810 471 THR A C 3047 O O . THR A 425 ? 0.4061 0.3735 0.3589 -0.0638 0.0421 0.0869 471 THR A O 3048 C CB . THR A 425 ? 0.4949 0.4027 0.4022 -0.0480 0.0349 0.0814 471 THR A CB 3049 O OG1 . THR A 425 ? 0.4841 0.3956 0.3957 -0.0356 0.0292 0.0696 471 THR A OG1 3050 C CG2 . THR A 425 ? 0.5341 0.4090 0.4161 -0.0462 0.0326 0.0842 471 THR A CG2 3051 N N . LEU A 426 ? 0.4191 0.3709 0.3729 -0.0659 0.0290 0.0728 472 LEU A N 3052 C CA . LEU A 426 ? 0.4023 0.3810 0.3760 -0.0654 0.0296 0.0703 472 LEU A CA 3053 C C . LEU A 426 ? 0.3869 0.3773 0.3629 -0.0525 0.0333 0.0697 472 LEU A C 3054 O O . LEU A 426 ? 0.3954 0.4077 0.3845 -0.0526 0.0373 0.0732 472 LEU A O 3055 C CB . LEU A 426 ? 0.3989 0.3962 0.3874 -0.0796 0.0328 0.0778 472 LEU A CB 3056 C CG . LEU A 426 ? 0.4165 0.4036 0.4046 -0.0931 0.0274 0.0770 472 LEU A CG 3057 C CD1 . LEU A 426 ? 0.4176 0.4248 0.4209 -0.1076 0.0304 0.0850 472 LEU A CD1 3058 C CD2 . LEU A 426 ? 0.3943 0.3794 0.3847 -0.0896 0.0199 0.0663 472 LEU A CD2 3059 N N . SER A 427 ? 0.3783 0.3534 0.3407 -0.0404 0.0312 0.0648 473 SER A N 3060 C CA . SER A 427 ? 0.3720 0.3559 0.3352 -0.0279 0.0333 0.0632 473 SER A CA 3061 C C . SER A 427 ? 0.3531 0.3279 0.3104 -0.0159 0.0271 0.0532 473 SER A C 3062 O O . SER A 427 ? 0.3541 0.3367 0.3143 -0.0067 0.0270 0.0506 473 SER A O 3063 C CB . SER A 427 ? 0.4054 0.3859 0.3571 -0.0244 0.0404 0.0713 473 SER A CB 3064 O OG . SER A 427 ? 0.4490 0.4051 0.3818 -0.0242 0.0394 0.0728 473 SER A OG 3065 N N . ARG A 428 ? 0.3380 0.2976 0.2879 -0.0156 0.0214 0.0472 474 ARG A N 3066 C CA . ARG A 428 ? 0.3175 0.2735 0.2650 -0.0051 0.0153 0.0374 474 ARG A CA 3067 C C . ARG A 428 ? 0.2899 0.2596 0.2523 -0.0096 0.0113 0.0316 474 ARG A C 3068 O O . ARG A 428 ? 0.2958 0.2619 0.2585 -0.0163 0.0090 0.0297 474 ARG A O 3069 C CB . ARG A 428 ? 0.3327 0.2655 0.2621 0.0005 0.0113 0.0337 474 ARG A CB 3070 C CG . ARG A 428 ? 0.3140 0.2455 0.2417 0.0117 0.0045 0.0229 474 ARG A CG 3071 C CD . ARG A 428 ? 0.3399 0.2483 0.2484 0.0196 0.0001 0.0191 474 ARG A CD 3072 N NE . ARG A 428 ? 0.3702 0.2661 0.2732 0.0127 -0.0020 0.0189 474 ARG A NE 3073 C CZ . ARG A 428 ? 0.3602 0.2603 0.2684 0.0126 -0.0070 0.0108 474 ARG A CZ 3074 N NH1 . ARG A 428 ? 0.3669 0.2526 0.2674 0.0075 -0.0096 0.0102 474 ARG A NH1 3075 N NH2 . ARG A 428 ? 0.3448 0.2639 0.2657 0.0174 -0.0095 0.0034 474 ARG A NH2 3076 N N . PRO A 429 ? 0.2652 0.2495 0.2387 -0.0063 0.0100 0.0286 475 PRO A N 3077 C CA . PRO A 429 ? 0.2496 0.2472 0.2363 -0.0116 0.0067 0.0244 475 PRO A CA 3078 C C . PRO A 429 ? 0.2629 0.2550 0.2451 -0.0077 0.0014 0.0157 475 PRO A C 3079 O O . PRO A 429 ? 0.2935 0.2790 0.2685 0.0021 -0.0015 0.0108 475 PRO A O 3080 C CB . PRO A 429 ? 0.2140 0.2235 0.2100 -0.0078 0.0058 0.0238 475 PRO A CB 3081 C CG . PRO A 429 ? 0.2103 0.2137 0.1983 0.0000 0.0090 0.0273 475 PRO A CG 3082 C CD . PRO A 429 ? 0.2435 0.2301 0.2157 0.0033 0.0103 0.0281 475 PRO A CD 3083 N N . LEU A 430 ? 0.2502 0.2461 0.2362 -0.0145 -0.0002 0.0135 476 LEU A N 3084 C CA . LEU A 430 ? 0.2633 0.2560 0.2445 -0.0096 -0.0049 0.0047 476 LEU A CA 3085 C C . LEU A 430 ? 0.2698 0.2797 0.2622 -0.0146 -0.0068 0.0006 476 LEU A C 3086 O O . LEU A 430 ? 0.2882 0.2999 0.2779 -0.0097 -0.0102 -0.0071 476 LEU A O 3087 C CB . LEU A 430 ? 0.2796 0.2517 0.2455 -0.0090 -0.0061 0.0040 476 LEU A CB 3088 C CG . LEU A 430 ? 0.2890 0.2551 0.2537 -0.0205 -0.0041 0.0101 476 LEU A CG 3089 C CD1 . LEU A 430 ? 0.2201 0.1990 0.1941 -0.0279 -0.0058 0.0071 476 LEU A CD1 3090 C CD2 . LEU A 430 ? 0.2874 0.2269 0.2334 -0.0188 -0.0060 0.0104 476 LEU A CD2 3091 N N . ALA A 431 ? 0.2488 0.2718 0.2527 -0.0236 -0.0046 0.0056 477 ALA A N 3092 C CA . ALA A 431 ? 0.2154 0.2553 0.2290 -0.0286 -0.0060 0.0029 477 ALA A CA 3093 C C . ALA A 431 ? 0.2225 0.2742 0.2477 -0.0355 -0.0041 0.0097 477 ALA A C 3094 O O . ALA A 431 ? 0.2467 0.2943 0.2724 -0.0368 -0.0014 0.0160 477 ALA A O 3095 C CB . ALA A 431 ? 0.1910 0.2285 0.2001 -0.0329 -0.0072 0.0001 477 ALA A CB 3096 N N . VAL A 432 ? 0.1938 0.2606 0.2278 -0.0394 -0.0054 0.0087 478 VAL A N 3097 C CA . VAL A 432 ? 0.1736 0.2499 0.2170 -0.0457 -0.0047 0.0150 478 VAL A CA 3098 C C . VAL A 432 ? 0.1860 0.2760 0.2344 -0.0527 -0.0058 0.0143 478 VAL A C 3099 O O . VAL A 432 ? 0.2082 0.3061 0.2572 -0.0516 -0.0071 0.0091 478 VAL A O 3100 C CB . VAL A 432 ? 0.1542 0.2313 0.2018 -0.0419 -0.0061 0.0164 478 VAL A CB 3101 C CG1 . VAL A 432 ? 0.1294 0.2128 0.1791 -0.0396 -0.0092 0.0105 478 VAL A CG1 3102 C CG2 . VAL A 432 ? 0.1480 0.2318 0.2031 -0.0473 -0.0063 0.0229 478 VAL A CG2 3103 N N . ALA A 433 ? 0.1765 0.2708 0.2284 -0.0597 -0.0050 0.0194 479 ALA A N 3104 C CA . ALA A 433 ? 0.1806 0.2877 0.2361 -0.0664 -0.0061 0.0200 479 ALA A CA 3105 C C . ALA A 433 ? 0.1840 0.2981 0.2468 -0.0695 -0.0071 0.0257 479 ALA A C 3106 O O . ALA A 433 ? 0.2031 0.3132 0.2687 -0.0688 -0.0070 0.0309 479 ALA A O 3107 C CB . ALA A 433 ? 0.1600 0.2668 0.2137 -0.0719 -0.0060 0.0217 479 ALA A CB 3108 N N . PHE A 434 ? 0.1789 0.3033 0.2444 -0.0726 -0.0083 0.0249 480 PHE A N 3109 C CA . PHE A 434 ? 0.1838 0.3124 0.2544 -0.0770 -0.0103 0.0309 480 PHE A CA 3110 C C . PHE A 434 ? 0.2060 0.3400 0.2755 -0.0824 -0.0105 0.0349 480 PHE A C 3111 O O . PHE A 434 ? 0.2180 0.3593 0.2839 -0.0846 -0.0096 0.0320 480 PHE A O 3112 C CB . PHE A 434 ? 0.1763 0.3119 0.2495 -0.0786 -0.0116 0.0289 480 PHE A CB 3113 C CG . PHE A 434 ? 0.1949 0.3236 0.2679 -0.0715 -0.0124 0.0241 480 PHE A CG 3114 C CD1 . PHE A 434 ? 0.1987 0.3156 0.2722 -0.0675 -0.0145 0.0265 480 PHE A CD1 3115 C CD2 . PHE A 434 ? 0.2009 0.3348 0.2723 -0.0675 -0.0115 0.0166 480 PHE A CD2 3116 C CE1 . PHE A 434 ? 0.1942 0.3043 0.2661 -0.0604 -0.0159 0.0216 480 PHE A CE1 3117 C CE2 . PHE A 434 ? 0.1982 0.3259 0.2688 -0.0603 -0.0131 0.0119 480 PHE A CE2 3118 C CZ . PHE A 434 ? 0.1864 0.3020 0.2571 -0.0571 -0.0153 0.0145 480 PHE A CZ 3119 N N . LEU A 435 ? 0.2037 0.3324 0.2742 -0.0821 -0.0119 0.0406 481 LEU A N 3120 C CA . LEU A 435 ? 0.2036 0.3341 0.2712 -0.0845 -0.0130 0.0441 481 LEU A CA 3121 C C . LEU A 435 ? 0.1967 0.3262 0.2640 -0.0867 -0.0158 0.0491 481 LEU A C 3122 O O . LEU A 435 ? 0.1970 0.3216 0.2679 -0.0857 -0.0185 0.0538 481 LEU A O 3123 C CB . LEU A 435 ? 0.1975 0.3261 0.2677 -0.0832 -0.0133 0.0471 481 LEU A CB 3124 C CG . LEU A 435 ? 0.2098 0.3390 0.2788 -0.0841 -0.0115 0.0437 481 LEU A CG 3125 C CD1 . LEU A 435 ? 0.1996 0.3267 0.2679 -0.0836 -0.0093 0.0388 481 LEU A CD1 3126 C CD2 . LEU A 435 ? 0.2161 0.3452 0.2895 -0.0830 -0.0114 0.0475 481 LEU A CD2 3127 N N . ALA A 436 ? 0.1940 0.3289 0.2572 -0.0903 -0.0156 0.0487 482 ALA A N 3128 C CA . ALA A 436 ? 0.1892 0.3229 0.2510 -0.0942 -0.0182 0.0540 482 ALA A CA 3129 C C . ALA A 436 ? 0.1940 0.3275 0.2528 -0.0970 -0.0212 0.0608 482 ALA A C 3130 O O . ALA A 436 ? 0.2070 0.3454 0.2636 -0.0969 -0.0205 0.0601 482 ALA A O 3131 C CB . ALA A 436 ? 0.1941 0.3367 0.2531 -0.0976 -0.0160 0.0515 482 ALA A CB 3132 N N . PRO A 437 ? 0.1989 0.3267 0.2577 -0.1001 -0.0256 0.0679 483 PRO A N 3133 C CA . PRO A 437 ? 0.2069 0.3350 0.2636 -0.1028 -0.0297 0.0755 483 PRO A CA 3134 C C . PRO A 437 ? 0.2247 0.3594 0.2736 -0.1089 -0.0296 0.0786 483 PRO A C 3135 O O . PRO A 437 ? 0.2335 0.3732 0.2793 -0.1113 -0.0265 0.0756 483 PRO A O 3136 C CB . PRO A 437 ? 0.2054 0.3228 0.2653 -0.1042 -0.0356 0.0825 483 PRO A CB 3137 C CG . PRO A 437 ? 0.2107 0.3224 0.2716 -0.1049 -0.0349 0.0791 483 PRO A CG 3138 C CD . PRO A 437 ? 0.1997 0.3196 0.2609 -0.1017 -0.0283 0.0697 483 PRO A CD 3139 N N . SER A 438 ? 0.2225 0.3596 0.2688 -0.1116 -0.0334 0.0851 484 SER A N 3140 C CA . SER A 438 ? 0.2319 0.3780 0.2703 -0.1172 -0.0331 0.0880 484 SER A CA 3141 C C . SER A 438 ? 0.2574 0.3991 0.2899 -0.1243 -0.0359 0.0958 484 SER A C 3142 O O . SER A 438 ? 0.2732 0.4025 0.3071 -0.1258 -0.0405 0.1015 484 SER A O 3143 C CB . SER A 438 ? 0.2208 0.3725 0.2586 -0.1179 -0.0367 0.0922 484 SER A CB 3144 O OG . SER A 438 ? 0.2326 0.3772 0.2730 -0.1194 -0.0431 0.1014 484 SER A OG 3145 N N . ALA A 439 ? 0.2439 0.3959 0.2693 -0.1292 -0.0334 0.0964 485 ALA A N 3146 C CA . ALA A 439 ? 0.2351 0.3842 0.2536 -0.1371 -0.0363 0.1053 485 ALA A CA 3147 C C . ALA A 439 ? 0.2493 0.3943 0.2622 -0.1406 -0.0426 0.1155 485 ALA A C 3148 O O . ALA A 439 ? 0.2692 0.4017 0.2773 -0.1455 -0.0479 0.1245 485 ALA A O 3149 C CB . ALA A 439 ? 0.2243 0.3886 0.2375 -0.1413 -0.0312 0.1032 485 ALA A CB 3150 N N . THR A 440 ? 0.2367 0.3907 0.2497 -0.1385 -0.0428 0.1144 486 THR A N 3151 C CA . THR A 440 ? 0.2443 0.3958 0.2529 -0.1414 -0.0492 0.1247 486 THR A CA 3152 C C . THR A 440 ? 0.2388 0.3748 0.2531 -0.1367 -0.0552 0.1287 486 THR A C 3153 O O . THR A 440 ? 0.2132 0.3458 0.2375 -0.1309 -0.0537 0.1223 486 THR A O 3154 C CB . THR A 440 ? 0.2375 0.4045 0.2465 -0.1406 -0.0487 0.1219 486 THR A CB 3155 O OG1 . THR A 440 ? 0.2308 0.3921 0.2327 -0.1384 -0.0561 0.1292 486 THR A OG1 3156 C CG2 . THR A 440 ? 0.1995 0.3692 0.2213 -0.1327 -0.0470 0.1119 486 THR A CG2 3157 N N . THR A 441 ? 0.2588 0.3835 0.2640 -0.1352 -0.0627 0.1370 487 THR A N 3158 C CA . THR A 441 ? 0.2713 0.3800 0.2783 -0.1251 -0.0699 0.1384 487 THR A CA 3159 C C . THR A 441 ? 0.2634 0.3833 0.2801 -0.1150 -0.0701 0.1316 487 THR A C 3160 O O . THR A 441 ? 0.2589 0.3719 0.2820 -0.1052 -0.0730 0.1293 487 THR A O 3161 C CB . THR A 441 ? 0.3012 0.3943 0.2935 -0.1259 -0.0786 0.1496 487 THR A CB 3162 O OG1 . THR A 441 ? 0.3073 0.4133 0.2920 -0.1287 -0.0790 0.1525 487 THR A OG1 3163 C CG2 . THR A 441 ? 0.2997 0.3778 0.2831 -0.1367 -0.0794 0.1575 487 THR A CG2 3164 N N . TYR A 442 ? 0.2641 0.4017 0.2815 -0.1174 -0.0674 0.1284 488 TYR A N 3165 C CA . TYR A 442 ? 0.2669 0.4169 0.2929 -0.1106 -0.0686 0.1230 488 TYR A CA 3166 C C . TYR A 442 ? 0.2525 0.4051 0.2928 -0.1049 -0.0643 0.1152 488 TYR A C 3167 O O . TYR A 442 ? 0.2454 0.4026 0.2899 -0.1088 -0.0576 0.1093 488 TYR A O 3168 C CB . TYR A 442 ? 0.2809 0.4473 0.3037 -0.1165 -0.0659 0.1197 488 TYR A CB 3169 C CG . TYR A 442 ? 0.2984 0.4778 0.3279 -0.1123 -0.0690 0.1155 488 TYR A CG 3170 C CD1 . TYR A 442 ? 0.3038 0.4918 0.3461 -0.1106 -0.0651 0.1072 488 TYR A CD1 3171 C CD2 . TYR A 442 ? 0.3160 0.4991 0.3385 -0.1106 -0.0763 0.1202 488 TYR A CD2 3172 C CE1 . TYR A 442 ? 0.3085 0.5092 0.3579 -0.1087 -0.0684 0.1039 488 TYR A CE1 3173 C CE2 . TYR A 442 ? 0.3237 0.5204 0.3535 -0.1075 -0.0800 0.1161 488 TYR A CE2 3174 C CZ . TYR A 442 ? 0.3266 0.5325 0.3704 -0.1073 -0.0759 0.1081 488 TYR A CZ 3175 O OH . TYR A 442 ? 0.3502 0.5705 0.4022 -0.1061 -0.0800 0.1046 488 TYR A OH 3176 N N . ILE A 443 ? 0.2481 0.3986 0.2953 -0.0951 -0.0680 0.1150 489 ILE A N 3177 C CA . ILE A 443 ? 0.2583 0.4027 0.3006 -0.0879 -0.0767 0.1212 489 ILE A CA 3178 C C . ILE A 443 ? 0.2748 0.3994 0.3145 -0.0805 -0.0801 0.1238 489 ILE A C 3179 O O . ILE A 443 ? 0.2620 0.3855 0.3102 -0.0749 -0.0767 0.1188 489 ILE A O 3180 C CB . ILE A 443 ? 0.2461 0.4074 0.2991 -0.0805 -0.0792 0.1182 489 ILE A CB 3181 C CG1 . ILE A 443 ? 0.2410 0.4195 0.2949 -0.0877 -0.0783 0.1157 489 ILE A CG1 3182 C CG2 . ILE A 443 ? 0.2481 0.4037 0.2970 -0.0701 -0.0886 0.1237 489 ILE A CG2 3183 C CD1 . ILE A 443 ? 0.2129 0.4095 0.2792 -0.0824 -0.0811 0.1127 489 ILE A CD1 3184 N N . GLY A 444 ? 0.2967 0.4041 0.3232 -0.0803 -0.0873 0.1317 490 GLY A N 3185 C CA . GLY A 444 ? 0.3021 0.3874 0.3237 -0.0719 -0.0932 0.1341 490 GLY A CA 3186 C C . GLY A 444 ? 0.3068 0.3771 0.3276 -0.0760 -0.0901 0.1325 490 GLY A C 3187 O O . GLY A 444 ? 0.3327 0.3864 0.3519 -0.0669 -0.0945 0.1317 490 GLY A O 3188 N N . LEU A 445 ? 0.2908 0.3662 0.3121 -0.0886 -0.0834 0.1316 491 LEU A N 3189 C CA . LEU A 445 ? 0.2881 0.3525 0.3108 -0.0925 -0.0805 0.1290 491 LEU A CA 3190 C C . LEU A 445 ? 0.2920 0.3445 0.3040 -0.1056 -0.0823 0.1365 491 LEU A C 3191 O O . LEU A 445 ? 0.2855 0.3417 0.2892 -0.1133 -0.0833 0.1432 491 LEU A O 3192 C CB . LEU A 445 ? 0.2587 0.3408 0.2934 -0.0949 -0.0707 0.1203 491 LEU A CB 3193 C CG . LEU A 445 ? 0.2504 0.3438 0.2957 -0.0836 -0.0684 0.1139 491 LEU A CG 3194 C CD1 . LEU A 445 ? 0.2252 0.3289 0.2799 -0.0849 -0.0600 0.1060 491 LEU A CD1 3195 C CD2 . LEU A 445 ? 0.2649 0.3441 0.3090 -0.0702 -0.0747 0.1144 491 LEU A CD2 3196 N N . ASN A 446 ? 0.3000 0.3387 0.3122 -0.1086 -0.0828 0.1354 492 ASN A N 3197 C CA . ASN A 446 ? 0.3212 0.3550 0.3273 -0.1237 -0.0822 0.1413 492 ASN A CA 3198 C C . ASN A 446 ? 0.3026 0.3627 0.3160 -0.1326 -0.0719 0.1374 492 ASN A C 3199 O O . ASN A 446 ? 0.2922 0.3672 0.3159 -0.1270 -0.0658 0.1284 492 ASN A O 3200 C CB . ASN A 446 ? 0.3234 0.3379 0.3296 -0.1253 -0.0858 0.1401 492 ASN A CB 3201 C CG . ASN A 446 ? 0.3537 0.3372 0.3484 -0.1187 -0.0977 0.1452 492 ASN A CG 3202 O OD1 . ASN A 446 ? 0.3823 0.3528 0.3643 -0.1230 -0.1041 0.1548 492 ASN A OD1 3203 N ND2 . ASN A 446 ? 0.3457 0.3156 0.3430 -0.1078 -0.1012 0.1387 492 ASN A ND2 3204 N N . PRO A 447 ? 0.2960 0.3622 0.3029 -0.1444 -0.0699 0.1427 493 PRO A N 3205 C CA . PRO A 447 ? 0.2822 0.3713 0.2936 -0.1457 -0.0603 0.1334 493 PRO A CA 3206 C C . PRO A 447 ? 0.2836 0.3723 0.3029 -0.1436 -0.0566 0.1248 493 PRO A C 3207 O O . PRO A 447 ? 0.3039 0.3763 0.3226 -0.1462 -0.0614 0.1273 493 PRO A O 3208 C CB . PRO A 447 ? 0.2987 0.3907 0.2995 -0.1543 -0.0602 0.1391 493 PRO A CB 3209 C CG . PRO A 447 ? 0.3134 0.3854 0.3037 -0.1569 -0.0694 0.1507 493 PRO A CG 3210 C CD . PRO A 447 ? 0.3102 0.3650 0.3030 -0.1495 -0.0759 0.1531 493 PRO A CD 3211 N N . GLY A 448 ? 0.2649 0.3699 0.2905 -0.1387 -0.0488 0.1146 494 GLY A N 3212 C CA . GLY A 448 ? 0.2550 0.3597 0.2875 -0.1357 -0.0455 0.1065 494 GLY A CA 3213 C C . GLY A 448 ? 0.2383 0.3605 0.2724 -0.1344 -0.0373 0.0980 494 GLY A C 3214 O O . GLY A 448 ? 0.2390 0.3741 0.2697 -0.1340 -0.0337 0.0965 494 GLY A O 3215 N N . TYR A 449 ? 0.2241 0.3463 0.2633 -0.1337 -0.0352 0.0926 495 TYR A N 3216 C CA . TYR A 449 ? 0.2207 0.3583 0.2634 -0.1305 -0.0282 0.0837 495 TYR A CA 3217 C C . TYR A 449 ? 0.2362 0.3698 0.2867 -0.1273 -0.0279 0.0776 495 TYR A C 3218 O O . TYR A 449 ? 0.2434 0.3626 0.2961 -0.1280 -0.0332 0.0802 495 TYR A O 3219 C CB . TYR A 449 ? 0.2358 0.3880 0.2743 -0.1372 -0.0250 0.0857 495 TYR A CB 3220 C CG . TYR A 449 ? 0.2467 0.3957 0.2853 -0.1455 -0.0274 0.0908 495 TYR A CG 3221 C CD1 . TYR A 449 ? 0.2524 0.4077 0.2980 -0.1461 -0.0251 0.0856 495 TYR A CD1 3222 C CD2 . TYR A 449 ? 0.2639 0.4040 0.2954 -0.1535 -0.0324 0.1011 495 TYR A CD2 3223 C CE1 . TYR A 449 ? 0.2736 0.4271 0.3200 -0.1550 -0.0275 0.0905 495 TYR A CE1 3224 C CE2 . TYR A 449 ? 0.2949 0.4311 0.3259 -0.1624 -0.0350 0.1062 495 TYR A CE2 3225 C CZ . TYR A 449 ? 0.2949 0.4383 0.3338 -0.1634 -0.0324 0.1008 495 TYR A CZ 3226 O OH . TYR A 449 ? 0.3240 0.4640 0.3629 -0.1732 -0.0354 0.1062 495 TYR A OH 3227 N N . ARG A 450 ? 0.2272 0.3739 0.2815 -0.1239 -0.0225 0.0696 496 ARG A N 3228 C CA . ARG A 450 ? 0.2141 0.3593 0.2758 -0.1182 -0.0217 0.0621 496 ARG A CA 3229 C C . ARG A 450 ? 0.2253 0.3855 0.2913 -0.1197 -0.0182 0.0571 496 ARG A C 3230 O O . ARG A 450 ? 0.2243 0.3998 0.2877 -0.1221 -0.0144 0.0568 496 ARG A O 3231 C CB . ARG A 450 ? 0.2093 0.3545 0.2715 -0.1102 -0.0193 0.0568 496 ARG A CB 3232 C CG . ARG A 450 ? 0.2093 0.3581 0.2774 -0.1042 -0.0171 0.0484 496 ARG A CG 3233 C CD . ARG A 450 ? 0.2015 0.3388 0.2749 -0.1021 -0.0211 0.0478 496 ARG A CD 3234 N NE . ARG A 450 ? 0.1879 0.3115 0.2598 -0.1022 -0.0254 0.0539 496 ARG A NE 3235 C CZ . ARG A 450 ? 0.1799 0.2991 0.2528 -0.0970 -0.0254 0.0536 496 ARG A CZ 3236 N NH1 . ARG A 450 ? 0.1833 0.2930 0.2564 -0.0973 -0.0298 0.0597 496 ARG A NH1 3237 N NH2 . ARG A 450 ? 0.1566 0.2816 0.2306 -0.0921 -0.0213 0.0477 496 ARG A NH2 3238 N N . VAL A 451 ? 0.2217 0.3790 0.2947 -0.1186 -0.0202 0.0533 497 VAL A N 3239 C CA . VAL A 451 ? 0.2150 0.3875 0.2943 -0.1190 -0.0178 0.0478 497 VAL A CA 3240 C C . VAL A 451 ? 0.2099 0.3804 0.2955 -0.1116 -0.0188 0.0400 497 VAL A C 3241 O O . VAL A 451 ? 0.2118 0.3674 0.2988 -0.1102 -0.0234 0.0408 497 VAL A O 3242 C CB . VAL A 451 ? 0.2352 0.4082 0.3173 -0.1281 -0.0207 0.0524 497 VAL A CB 3243 C CG1 . VAL A 451 ? 0.2315 0.4213 0.3226 -0.1281 -0.0191 0.0461 497 VAL A CG1 3244 C CG2 . VAL A 451 ? 0.2506 0.4286 0.3259 -0.1362 -0.0194 0.0604 497 VAL A CG2 3245 N N . TYR A 452 ? 0.2009 0.3870 0.2895 -0.1068 -0.0151 0.0328 498 TYR A N 3246 C CA . TYR A 452 ? 0.2123 0.3993 0.3064 -0.0997 -0.0164 0.0252 498 TYR A CA 3247 C C . TYR A 452 ? 0.2458 0.4471 0.3480 -0.1007 -0.0174 0.0206 498 TYR A C 3248 O O . TYR A 452 ? 0.2485 0.4673 0.3519 -0.1034 -0.0139 0.0201 498 TYR A O 3249 C CB . TYR A 452 ? 0.1945 0.3884 0.2856 -0.0927 -0.0128 0.0196 498 TYR A CB 3250 C CG . TYR A 452 ? 0.1973 0.3775 0.2821 -0.0916 -0.0125 0.0234 498 TYR A CG 3251 C CD1 . TYR A 452 ? 0.1971 0.3630 0.2828 -0.0886 -0.0153 0.0240 498 TYR A CD1 3252 C CD2 . TYR A 452 ? 0.1922 0.3752 0.2705 -0.0939 -0.0097 0.0266 498 TYR A CD2 3253 C CE1 . TYR A 452 ? 0.1912 0.3466 0.2723 -0.0877 -0.0149 0.0279 498 TYR A CE1 3254 C CE2 . TYR A 452 ? 0.1853 0.3568 0.2589 -0.0930 -0.0100 0.0299 498 TYR A CE2 3255 C CZ . TYR A 452 ? 0.1818 0.3399 0.2574 -0.0898 -0.0124 0.0306 498 TYR A CZ 3256 O OH . TYR A 452 ? 0.1626 0.3117 0.2349 -0.0888 -0.0126 0.0340 498 TYR A OH 3257 N N . GLN A 453 ? 0.2666 0.4619 0.3744 -0.0985 -0.0224 0.0172 499 GLN A N 3258 C CA . GLN A 453 ? 0.2774 0.4877 0.3936 -0.0961 -0.0241 0.0103 499 GLN A CA 3259 C C . GLN A 453 ? 0.2351 0.4522 0.3509 -0.0854 -0.0234 0.0017 499 GLN A C 3260 O O . GLN A 453 ? 0.2189 0.4232 0.3316 -0.0811 -0.0258 0.0008 499 GLN A O 3261 C CB . GLN A 453 ? 0.3334 0.5338 0.4551 -0.0995 -0.0316 0.0104 499 GLN A CB 3262 C CG . GLN A 453 ? 0.4070 0.6073 0.5315 -0.1104 -0.0331 0.0163 499 GLN A CG 3263 C CD . GLN A 453 ? 0.5000 0.6798 0.6168 -0.1165 -0.0349 0.0253 499 GLN A CD 3264 O OE1 . GLN A 453 ? 0.5444 0.7254 0.6591 -0.1250 -0.0335 0.0319 499 GLN A OE1 3265 N NE2 . GLN A 453 ? 0.5085 0.6702 0.6208 -0.1121 -0.0385 0.0258 499 GLN A NE2 3266 N N . ILE A 454 ? 0.2193 0.4575 0.3377 -0.0809 -0.0203 -0.0046 500 ILE A N 3267 C CA . ILE A 454 ? 0.2012 0.4470 0.3175 -0.0699 -0.0195 -0.0137 500 ILE A CA 3268 C C . ILE A 454 ? 0.2226 0.4858 0.3459 -0.0629 -0.0220 -0.0227 500 ILE A C 3269 O O . ILE A 454 ? 0.2199 0.4986 0.3488 -0.0669 -0.0206 -0.0221 500 ILE A O 3270 C CB . ILE A 454 ? 0.1821 0.4372 0.2923 -0.0685 -0.0136 -0.0143 500 ILE A CB 3271 C CG1 . ILE A 454 ? 0.1794 0.4184 0.2829 -0.0762 -0.0116 -0.0046 500 ILE A CG1 3272 C CG2 . ILE A 454 ? 0.1578 0.4093 0.2612 -0.0551 -0.0137 -0.0236 500 ILE A CG2 3273 C CD1 . ILE A 454 ? 0.1969 0.4414 0.2933 -0.0746 -0.0074 -0.0058 500 ILE A CD1 3274 N N . ASP A 455 ? 0.2257 0.4809 0.3455 -0.0506 -0.0256 -0.0306 501 ASP A N 3275 C CA . ASP A 455 ? 0.2053 0.4763 0.3298 -0.0406 -0.0286 -0.0405 501 ASP A CA 3276 C C . ASP A 455 ? 0.1990 0.4990 0.3270 -0.0385 -0.0238 -0.0451 501 ASP A C 3277 O O . ASP A 455 ? 0.1870 0.4864 0.3068 -0.0340 -0.0197 -0.0467 501 ASP A O 3278 C CB . ASP A 455 ? 0.1921 0.4381 0.3032 -0.0243 -0.0313 -0.0468 501 ASP A CB 3279 C CG . ASP A 455 ? 0.1863 0.4424 0.3013 -0.0136 -0.0368 -0.0562 501 ASP A CG 3280 O OD1 . ASP A 455 ? 0.1759 0.4559 0.3057 -0.0198 -0.0398 -0.0576 501 ASP A OD1 3281 O OD2 . ASP A 455 ? 0.1914 0.4308 0.2940 0.0011 -0.0386 -0.0621 501 ASP A OD2 3282 N N . GLY A 456 ? 0.2038 0.5212 0.3396 -0.0408 -0.0237 -0.0461 502 GLY A N 3283 C CA . GLY A 456 ? 0.2226 0.5618 0.3600 -0.0450 -0.0175 -0.0445 502 GLY A CA 3284 C C . GLY A 456 ? 0.2318 0.5934 0.3673 -0.0311 -0.0155 -0.0557 502 GLY A C 3285 O O . GLY A 456 ? 0.2115 0.5684 0.3415 -0.0168 -0.0182 -0.0647 502 GLY A O 3286 N N . ASN A 457 ? 0.2708 0.6566 0.4101 -0.0346 -0.0112 -0.0553 503 ASN A N 3287 C CA . ASN A 457 ? 0.3098 0.7203 0.4463 -0.0222 -0.0082 -0.0652 503 ASN A CA 3288 C C . ASN A 457 ? 0.2850 0.7091 0.4278 -0.0113 -0.0126 -0.0745 503 ASN A C 3289 O O . ASN A 457 ? 0.2907 0.7335 0.4426 -0.0174 -0.0118 -0.0727 503 ASN A O 3290 C CB . ASN A 457 ? 0.3689 0.7998 0.5053 -0.0317 -0.0014 -0.0595 503 ASN A CB 3291 C CG . ASN A 457 ? 0.4299 0.8896 0.5634 -0.0189 0.0015 -0.0699 503 ASN A CG 3292 O OD1 . ASN A 457 ? 0.4044 0.8642 0.5319 -0.0018 -0.0009 -0.0814 503 ASN A OD1 3293 N ND2 . ASN A 457 ? 0.5274 1.0113 0.6644 -0.0265 0.0061 -0.0660 503 ASN A ND2 3294 N N . TYR A 458 ? 0.2523 0.6662 0.3898 0.0052 -0.0177 -0.0845 504 TYR A N 3295 C CA . TYR A 458 ? 0.2271 0.6516 0.3673 0.0189 -0.0226 -0.0946 504 TYR A CA 3296 C C . TYR A 458 ? 0.2313 0.6400 0.3597 0.0393 -0.0276 -0.1053 504 TYR A C 3297 O O . TYR A 458 ? 0.2267 0.6133 0.3482 0.0400 -0.0288 -0.1031 504 TYR A O 3298 C CB . TYR A 458 ? 0.2056 0.6237 0.3559 0.0113 -0.0278 -0.0908 504 TYR A CB 3299 C CG . TYR A 458 ? 0.2011 0.5877 0.3477 0.0100 -0.0333 -0.0874 504 TYR A CG 3300 C CD1 . TYR A 458 ? 0.1994 0.5702 0.3474 -0.0064 -0.0316 -0.0758 504 TYR A CD1 3301 C CD2 . TYR A 458 ? 0.2042 0.5758 0.3441 0.0261 -0.0405 -0.0959 504 TYR A CD2 3302 C CE1 . TYR A 458 ? 0.2115 0.5555 0.3555 -0.0070 -0.0366 -0.0732 504 TYR A CE1 3303 C CE2 . TYR A 458 ? 0.2081 0.5520 0.3432 0.0256 -0.0456 -0.0929 504 TYR A CE2 3304 C CZ . TYR A 458 ? 0.2146 0.5462 0.3523 0.0089 -0.0434 -0.0819 504 TYR A CZ 3305 O OH . TYR A 458 ? 0.2102 0.5115 0.3400 0.0091 -0.0474 -0.0786 504 TYR A OH 3306 N N . SER A 459 ? 0.2605 0.6797 0.3860 0.0562 -0.0312 -0.1165 505 SER A N 3307 C CA . SER A 459 ? 0.2939 0.6951 0.4053 0.0779 -0.0371 -0.1269 505 SER A CA 3308 C C . SER A 459 ? 0.2973 0.6686 0.4053 0.0807 -0.0443 -0.1251 505 SER A C 3309 O O . SER A 459 ? 0.2968 0.6678 0.4122 0.0757 -0.0476 -0.1230 505 SER A O 3310 C CB . SER A 459 ? 0.3284 0.7456 0.4352 0.0955 -0.0400 -0.1389 505 SER A CB 3311 O OG . SER A 459 ? 0.3649 0.7599 0.4541 0.1171 -0.0458 -0.1483 505 SER A OG 3312 N N . GLY A 460 ? 0.3062 0.6405 0.3955 0.0868 -0.0453 -0.1240 506 GLY A N 3313 C CA . GLY A 460 ? 0.2977 0.5931 0.3759 0.0868 -0.0494 -0.1191 506 GLY A CA 3314 C C . GLY A 460 ? 0.2811 0.5620 0.3632 0.0672 -0.0456 -0.1062 506 GLY A C 3315 O O . GLY A 460 ? 0.2839 0.5332 0.3563 0.0670 -0.0481 -0.1017 506 GLY A O 3316 N N . SER A 461 ? 0.2589 0.5620 0.3540 0.0514 -0.0397 -0.1001 507 SER A N 3317 C CA . SER A 461 ? 0.2564 0.5449 0.3541 0.0339 -0.0367 -0.0880 507 SER A CA 3318 C C . SER A 461 ? 0.2568 0.5073 0.3358 0.0354 -0.0348 -0.0834 507 SER A C 3319 O O . SER A 461 ? 0.2767 0.5186 0.3431 0.0440 -0.0335 -0.0877 507 SER A O 3320 C CB . SER A 461 ? 0.2517 0.5696 0.3636 0.0180 -0.0309 -0.0824 507 SER A CB 3321 O OG . SER A 461 ? 0.2452 0.5456 0.3560 0.0031 -0.0281 -0.0709 507 SER A OG 3322 N N . SER A 462 ? 0.2319 0.4598 0.3089 0.0269 -0.0350 -0.0749 508 SER A N 3323 C CA . SER A 462 ? 0.2292 0.4253 0.2918 0.0254 -0.0326 -0.0688 508 SER A CA 3324 C C . SER A 462 ? 0.2179 0.4195 0.2831 0.0128 -0.0268 -0.0621 508 SER A C 3325 O O . SER A 462 ? 0.2126 0.3928 0.2662 0.0124 -0.0248 -0.0588 508 SER A O 3326 C CB . SER A 462 ? 0.2262 0.4001 0.2865 0.0219 -0.0345 -0.0624 508 SER A CB 3327 O OG . SER A 462 ? 0.2224 0.4069 0.2956 0.0071 -0.0332 -0.0550 508 SER A OG 3328 N N . HIS A 463 ? 0.2021 0.4313 0.2821 0.0017 -0.0245 -0.0592 509 HIS A N 3329 C CA . HIS A 463 ? 0.1982 0.4355 0.2806 -0.0102 -0.0194 -0.0527 509 HIS A CA 3330 C C . HIS A 463 ? 0.2042 0.4172 0.2821 -0.0190 -0.0182 -0.0428 509 HIS A C 3331 O O . HIS A 463 ? 0.2150 0.4287 0.2910 -0.0265 -0.0147 -0.0378 509 HIS A O 3332 C CB . HIS A 463 ? 0.2016 0.4441 0.2750 -0.0029 -0.0170 -0.0588 509 HIS A CB 3333 C CG . HIS A 463 ? 0.2240 0.4981 0.3040 0.0045 -0.0169 -0.0679 509 HIS A CG 3334 N ND1 . HIS A 463 ? 0.2394 0.5115 0.3117 0.0217 -0.0204 -0.0788 509 HIS A ND1 3335 C CD2 . HIS A 463 ? 0.2123 0.5222 0.3063 -0.0028 -0.0139 -0.0673 509 HIS A CD2 3336 C CE1 . HIS A 463 ? 0.2327 0.5399 0.3147 0.0257 -0.0194 -0.0854 509 HIS A CE1 3337 N NE2 . HIS A 463 ? 0.2209 0.5526 0.3167 0.0104 -0.0150 -0.0783 509 HIS A NE2 3338 N N . VAL A 464 ? 0.1849 0.3779 0.2608 -0.0177 -0.0213 -0.0400 510 VAL A N 3339 C CA . VAL A 464 ? 0.1833 0.3557 0.2555 -0.0243 -0.0201 -0.0311 510 VAL A CA 3340 C C . VAL A 464 ? 0.1869 0.3690 0.2705 -0.0372 -0.0205 -0.0237 510 VAL A C 3341 O O . VAL A 464 ? 0.2015 0.4010 0.2954 -0.0410 -0.0228 -0.0251 510 VAL A O 3342 C CB . VAL A 464 ? 0.1766 0.3231 0.2396 -0.0160 -0.0226 -0.0311 510 VAL A CB 3343 C CG1 . VAL A 464 ? 0.1754 0.3101 0.2257 -0.0032 -0.0233 -0.0381 510 VAL A CG1 3344 C CG2 . VAL A 464 ? 0.1707 0.3189 0.2401 -0.0151 -0.0273 -0.0321 510 VAL A CG2 3345 N N . VAL A 465 ? 0.1957 0.3790 0.2839 -0.0108 0.0008 0.0043 511 VAL A N 3346 C CA . VAL A 465 ? 0.1896 0.3771 0.2816 -0.0237 -0.0077 0.0059 511 VAL A CA 3347 C C . VAL A 465 ? 0.1856 0.3784 0.2869 -0.0277 -0.0212 0.0079 511 VAL A C 3348 O O . VAL A 465 ? 0.1913 0.3732 0.2852 -0.0235 -0.0257 0.0044 511 VAL A O 3349 C CB . VAL A 465 ? 0.1755 0.3420 0.2486 -0.0298 -0.0087 -0.0004 511 VAL A CB 3350 C CG1 . VAL A 465 ? 0.1620 0.3303 0.2387 -0.0414 -0.0175 0.0018 511 VAL A CG1 3351 C CG2 . VAL A 465 ? 0.1766 0.3360 0.2366 -0.0276 0.0025 -0.0027 511 VAL A CG2 3352 N N . LEU A 466 ? 0.1921 0.4005 0.3081 -0.0366 -0.0279 0.0139 512 LEU A N 3353 C CA . LEU A 466 ? 0.1915 0.4013 0.3125 -0.0431 -0.0427 0.0150 512 LEU A CA 3354 C C . LEU A 466 ? 0.2138 0.4069 0.3243 -0.0538 -0.0509 0.0112 512 LEU A C 3355 O O . LEU A 466 ? 0.2364 0.4175 0.3388 -0.0562 -0.0614 0.0075 512 LEU A O 3356 C CB . LEU A 466 ? 0.1879 0.4256 0.3335 -0.0474 -0.0473 0.0252 512 LEU A CB 3357 C CG . LEU A 466 ? 0.1958 0.4539 0.3560 -0.0349 -0.0380 0.0312 512 LEU A CG 3358 C CD1 . LEU A 466 ? 0.1266 0.4174 0.3151 -0.0400 -0.0390 0.0437 512 LEU A CD1 3359 C CD2 . LEU A 466 ? 0.1290 0.3824 0.2852 -0.0261 -0.0435 0.0294 512 LEU A CD2 3360 N N . ASP A 467 ? 0.2144 0.4051 0.3229 -0.0593 -0.0460 0.0121 513 ASP A N 3361 C CA . ASP A 467 ? 0.2057 0.3802 0.3053 -0.0682 -0.0528 0.0099 513 ASP A CA 3362 C C . ASP A 467 ? 0.1871 0.3610 0.2829 -0.0704 -0.0439 0.0117 513 ASP A C 3363 O O . ASP A 467 ? 0.1934 0.3808 0.2942 -0.0668 -0.0336 0.0151 513 ASP A O 3364 C CB . ASP A 467 ? 0.2081 0.3866 0.3178 -0.0794 -0.0647 0.0146 513 ASP A CB 3365 C CG . ASP A 467 ? 0.2369 0.3876 0.3310 -0.0836 -0.0727 0.0092 513 ASP A CG 3366 O OD1 . ASP A 467 ? 0.2381 0.3754 0.3192 -0.0803 -0.0702 0.0043 513 ASP A OD1 3367 O OD2 . ASP A 467 ? 0.2671 0.4095 0.3619 -0.0899 -0.0810 0.0103 513 ASP A OD2 3368 N N . HIS A 468 ? 0.1824 0.3398 0.2679 -0.0753 -0.0474 0.0097 514 HIS A N 3369 C CA . HIS A 468 ? 0.2096 0.3673 0.2912 -0.0791 -0.0412 0.0131 514 HIS A CA 3370 C C . HIS A 468 ? 0.2507 0.3962 0.3300 -0.0881 -0.0493 0.0156 514 HIS A C 3371 O O . HIS A 468 ? 0.2330 0.3651 0.3097 -0.0895 -0.0584 0.0126 514 HIS A O 3372 C CB . HIS A 468 ? 0.2031 0.3524 0.2703 -0.0721 -0.0334 0.0081 514 HIS A CB 3373 C CG . HIS A 468 ? 0.2106 0.3421 0.2669 -0.0695 -0.0378 0.0028 514 HIS A CG 3374 N ND1 . HIS A 468 ? 0.2193 0.3399 0.2714 -0.0741 -0.0431 0.0043 514 HIS A ND1 3375 C CD2 . HIS A 468 ? 0.2130 0.3372 0.2625 -0.0623 -0.0365 -0.0025 514 HIS A CD2 3376 C CE1 . HIS A 468 ? 0.2142 0.3238 0.2591 -0.0690 -0.0444 0.0004 514 HIS A CE1 3377 N NE2 . HIS A 468 ? 0.2043 0.3161 0.2475 -0.0626 -0.0405 -0.0037 514 HIS A NE2 3378 N N . GLU A 469 ? 0.2819 0.4312 0.3610 -0.0939 -0.0453 0.0218 515 GLU A N 3379 C CA . GLU A 469 ? 0.3300 0.4684 0.4078 -0.1026 -0.0518 0.0265 515 GLU A CA 3380 C C . GLU A 469 ? 0.3169 0.4509 0.3836 -0.1027 -0.0467 0.0290 515 GLU A C 3381 O O . GLU A 469 ? 0.3325 0.4760 0.3942 -0.0997 -0.0376 0.0292 515 GLU A O 3382 C CB . GLU A 469 ? 0.3889 0.5363 0.4793 -0.1114 -0.0537 0.0351 515 GLU A CB 3383 C CG . GLU A 469 ? 0.4493 0.6008 0.5497 -0.1107 -0.0587 0.0338 515 GLU A CG 3384 C CD . GLU A 469 ? 0.5148 0.6925 0.6315 -0.1127 -0.0522 0.0419 515 GLU A CD 3385 O OE1 . GLU A 469 ? 0.5254 0.7215 0.6450 -0.1075 -0.0421 0.0425 515 GLU A OE1 3386 O OE2 . GLU A 469 ? 0.5618 0.7424 0.6885 -0.1195 -0.0567 0.0483 515 GLU A OE2 3387 N N . THR A 470 ? 0.2868 0.4051 0.3483 -0.1059 -0.0530 0.0311 516 THR A N 3388 C CA . THR A 470 ? 0.2658 0.3798 0.3173 -0.1065 -0.0507 0.0348 516 THR A CA 3389 C C . THR A 470 ? 0.2942 0.4021 0.3480 -0.1156 -0.0554 0.0444 516 THR A C 3390 O O . THR A 470 ? 0.3073 0.4021 0.3655 -0.1186 -0.0633 0.0449 516 THR A O 3391 C CB . THR A 470 ? 0.2265 0.3282 0.2700 -0.0989 -0.0531 0.0293 516 THR A CB 3392 O OG1 . THR A 470 ? 0.2072 0.3140 0.2491 -0.0918 -0.0487 0.0215 516 THR A OG1 3393 C CG2 . THR A 470 ? 0.2106 0.3108 0.2451 -0.1004 -0.0526 0.0344 516 THR A CG2 3394 N N . TYR A 471 ? 0.2848 0.4005 0.3335 -0.1202 -0.0506 0.0519 517 TYR A N 3395 C CA . TYR A 471 ? 0.2717 0.3832 0.3211 -0.1292 -0.0537 0.0632 517 TYR A CA 3396 C C . TYR A 471 ? 0.2768 0.3794 0.3136 -0.1275 -0.0555 0.0669 517 TYR A C 3397 O O . TYR A 471 ? 0.2635 0.3709 0.2898 -0.1230 -0.0516 0.0631 517 TYR A O 3398 C CB . TYR A 471 ? 0.2529 0.3837 0.3071 -0.1365 -0.0458 0.0716 517 TYR A CB 3399 C CG . TYR A 471 ? 0.2464 0.3895 0.3179 -0.1395 -0.0456 0.0712 517 TYR A CG 3400 C CD1 . TYR A 471 ? 0.2321 0.3874 0.3075 -0.1317 -0.0401 0.0632 517 TYR A CD1 3401 C CD2 . TYR A 471 ? 0.2512 0.3889 0.3323 -0.1464 -0.0512 0.0778 517 TYR A CD2 3402 C CE1 . TYR A 471 ? 0.2327 0.3991 0.3237 -0.1323 -0.0409 0.0634 517 TYR A CE1 3403 C CE2 . TYR A 471 ? 0.2468 0.3929 0.3413 -0.1464 -0.0520 0.0767 517 TYR A CE2 3404 C CZ . TYR A 471 ? 0.2468 0.4080 0.3466 -0.1390 -0.0469 0.0698 517 TYR A CZ 3405 O OH . TYR A 471 ? 0.2554 0.4270 0.3694 -0.1388 -0.0485 0.0700 517 TYR A OH 3406 N N . ILE A 472 ? 0.2860 0.3746 0.3236 -0.1313 -0.0625 0.0746 518 ILE A N 3407 C CA . ILE A 472 ? 0.2944 0.3762 0.3225 -0.1295 -0.0656 0.0805 518 ILE A CA 3408 C C . ILE A 472 ? 0.3020 0.3792 0.3293 -0.1386 -0.0681 0.0944 518 ILE A C 3409 O O . ILE A 472 ? 0.2945 0.3680 0.3303 -0.1460 -0.0695 0.0989 518 ILE A O 3410 C CB . ILE A 472 ? 0.3054 0.3717 0.3354 -0.1203 -0.0720 0.0765 518 ILE A CB 3411 C CG1 . ILE A 472 ? 0.3207 0.3665 0.3567 -0.1216 -0.0784 0.0794 518 ILE A CG1 3412 C CG2 . ILE A 472 ? 0.2800 0.3510 0.3112 -0.1117 -0.0693 0.0638 518 ILE A CG2 3413 C CD1 . ILE A 472 ? 0.3339 0.3626 0.3693 -0.1119 -0.0833 0.0804 518 ILE A CD1 3414 N N . LEU A 473 ? 0.3120 0.3894 0.3287 -0.1388 -0.0695 0.1022 519 LEU A N 3415 C CA . LEU A 473 ? 0.3400 0.4090 0.3544 -0.1454 -0.0736 0.1168 519 LEU A CA 3416 C C . LEU A 473 ? 0.3909 0.4428 0.4071 -0.1378 -0.0822 0.1195 519 LEU A C 3417 O O . LEU A 473 ? 0.4033 0.4599 0.4144 -0.1316 -0.0842 0.1187 519 LEU A O 3418 C CB . LEU A 473 ? 0.3364 0.4186 0.3358 -0.1509 -0.0690 0.1252 519 LEU A CB 3419 C CG . LEU A 473 ? 0.3471 0.4208 0.3428 -0.1576 -0.0737 0.1422 519 LEU A CG 3420 C CD1 . LEU A 473 ? 0.3398 0.4097 0.3469 -0.1671 -0.0722 0.1493 519 LEU A CD1 3421 C CD2 . LEU A 473 ? 0.3467 0.4315 0.3225 -0.1615 -0.0705 0.1502 519 LEU A CD2 3422 N N . ASN A 474 ? 0.4365 0.4680 0.4601 -0.1381 -0.0874 0.1229 520 ASN A N 3423 C CA . ASN A 474 ? 0.4844 0.4970 0.5099 -0.1287 -0.0941 0.1265 520 ASN A CA 3424 C C . ASN A 474 ? 0.4907 0.5034 0.5102 -0.1315 -0.0978 0.1429 520 ASN A C 3425 O O . ASN A 474 ? 0.5269 0.5278 0.5455 -0.1391 -0.1003 0.1543 520 ASN A O 3426 C CB . ASN A 474 ? 0.5434 0.5290 0.5741 -0.1279 -0.0981 0.1241 520 ASN A CB 3427 C CG . ASN A 474 ? 0.6172 0.5824 0.6491 -0.1135 -0.1020 0.1239 520 ASN A CG 3428 O OD1 . ASN A 474 ? 0.5958 0.5693 0.6282 -0.1055 -0.1028 0.1298 520 ASN A OD1 3429 N ND2 . ASN A 474 ? 0.7214 0.6598 0.7532 -0.1101 -0.1046 0.1177 520 ASN A ND2 3430 N N . LEU A 475 ? 0.4404 0.4665 0.4554 -0.1264 -0.0992 0.1451 521 LEU A N 3431 C CA . LEU A 475 ? 0.4308 0.4599 0.4381 -0.1300 -0.1039 0.1612 521 LEU A CA 3432 C C . LEU A 475 ? 0.4271 0.4340 0.4406 -0.1249 -0.1104 0.1733 521 LEU A C 3433 O O . LEU A 475 ? 0.4422 0.4438 0.4499 -0.1316 -0.1134 0.1883 521 LEU A O 3434 C CB . LEU A 475 ? 0.4140 0.4608 0.4156 -0.1264 -0.1067 0.1613 521 LEU A CB 3435 C CG . LEU A 475 ? 0.3958 0.4610 0.3840 -0.1329 -0.1013 0.1526 521 LEU A CG 3436 C CD1 . LEU A 475 ? 0.3137 0.3909 0.2967 -0.1304 -0.1076 0.1542 521 LEU A CD1 3437 C CD2 . LEU A 475 ? 0.4110 0.4807 0.3837 -0.1445 -0.0966 0.1595 521 LEU A CD2 3438 N N . THR A 476 ? 0.4185 0.4103 0.4422 -0.1126 -0.1117 0.1672 522 THR A N 3439 C CA . THR A 476 ? 0.4518 0.4175 0.4800 -0.1052 -0.1166 0.1771 522 THR A CA 3440 C C . THR A 476 ? 0.4868 0.4323 0.5106 -0.1171 -0.1178 0.1841 522 THR A C 3441 O O . THR A 476 ? 0.5244 0.4540 0.5469 -0.1171 -0.1227 0.1993 522 THR A O 3442 C CB . THR A 476 ? 0.4635 0.4131 0.4996 -0.0902 -0.1149 0.1656 522 THR A CB 3443 O OG1 . THR A 476 ? 0.4745 0.4446 0.5174 -0.0794 -0.1139 0.1628 522 THR A OG1 3444 C CG2 . THR A 476 ? 0.4721 0.3893 0.5099 -0.0810 -0.1185 0.1743 522 THR A CG2 3445 N N . GLN A 477 ? 0.4798 0.4267 0.5028 -0.1276 -0.1138 0.1747 523 GLN A N 3446 C CA . GLN A 477 ? 0.4921 0.4245 0.5136 -0.1417 -0.1152 0.1828 523 GLN A CA 3447 C C . GLN A 477 ? 0.4810 0.4362 0.4964 -0.1552 -0.1119 0.1943 523 GLN A C 3448 O O . GLN A 477 ? 0.5057 0.4504 0.5186 -0.1647 -0.1143 0.2094 523 GLN A O 3449 C CB . GLN A 477 ? 0.4853 0.4095 0.5111 -0.1477 -0.1138 0.1692 523 GLN A CB 3450 C CG . GLN A 477 ? 0.4947 0.3966 0.5219 -0.1344 -0.1157 0.1554 523 GLN A CG 3451 C CD . GLN A 477 ? 0.5049 0.3953 0.5334 -0.1419 -0.1169 0.1433 523 GLN A CD 3452 O OE1 . GLN A 477 ? 0.5364 0.3943 0.5609 -0.1370 -0.1214 0.1369 523 GLN A OE1 3453 N NE2 . GLN A 477 ? 0.4797 0.3965 0.5129 -0.1533 -0.1130 0.1403 523 GLN A NE2 3454 N N . ALA A 478 ? 0.4473 0.4315 0.4584 -0.1561 -0.1059 0.1876 524 ALA A N 3455 C CA . ALA A 478 ? 0.4403 0.4446 0.4420 -0.1677 -0.1006 0.1968 524 ALA A CA 3456 C C . ALA A 478 ? 0.4606 0.4646 0.4512 -0.1681 -0.1052 0.2140 524 ALA A C 3457 O O . ALA A 478 ? 0.4777 0.4885 0.4622 -0.1750 -0.1018 0.2215 524 ALA A O 3458 C CB . ALA A 478 ? 0.3705 0.4008 0.3666 -0.1664 -0.0929 0.1841 524 ALA A CB 3459 N N . ASN A 479 ? 0.4703 0.4703 0.4608 -0.1568 -0.1119 0.2156 525 ASN A N 3460 C CA . ASN A 479 ? 0.4779 0.4829 0.4592 -0.1553 -0.1172 0.2293 525 ASN A CA 3461 C C . ASN A 479 ? 0.4989 0.4821 0.4854 -0.1531 -0.1221 0.2414 525 ASN A C 3462 O O . ASN A 479 ? 0.5129 0.4997 0.4943 -0.1503 -0.1265 0.2521 525 ASN A O 3463 C CB . ASN A 479 ? 0.4525 0.4668 0.4343 -0.1448 -0.1234 0.2281 525 ASN A CB 3464 C CG . ASN A 479 ? 0.4323 0.4711 0.4019 -0.1483 -0.1196 0.2177 525 ASN A CG 3465 O OD1 . ASN A 479 ? 0.4306 0.4799 0.3851 -0.1580 -0.1133 0.2172 525 ASN A OD1 3466 N ND2 . ASN A 479 ? 0.3856 0.4329 0.3617 -0.1393 -0.1228 0.2086 525 ASN A ND2 3467 N N . ILE A 480 ? 0.5098 0.4694 0.5057 -0.1544 -0.1219 0.2395 526 ILE A N 3468 C CA . ILE A 480 ? 0.5439 0.4791 0.5422 -0.1537 -0.1259 0.2501 526 ILE A CA 3469 C C . ILE A 480 ? 0.5518 0.5001 0.5412 -0.1650 -0.1224 0.2596 526 ILE A C 3470 O O . ILE A 480 ? 0.5426 0.5049 0.5301 -0.1755 -0.1153 0.2552 526 ILE A O 3471 C CB . ILE A 480 ? 0.5537 0.4594 0.5601 -0.1553 -0.1266 0.2434 526 ILE A CB 3472 C CG1 . ILE A 480 ? 0.5051 0.3894 0.5175 -0.1405 -0.1305 0.2367 526 ILE A CG1 3473 C CG2 . ILE A 480 ? 0.5429 0.4269 0.5485 -0.1604 -0.1289 0.2539 526 ILE A CG2 3474 C CD1 . ILE A 480 ? 0.5421 0.3964 0.5577 -0.1427 -0.1313 0.2260 526 ILE A CD1 3475 N N . PRO A 481 ? 0.5662 0.5116 0.5504 -0.1623 -0.1263 0.2730 527 PRO A N 3476 C CA . PRO A 481 ? 0.5915 0.5504 0.5645 -0.1722 -0.1225 0.2826 527 PRO A CA 3477 C C . PRO A 481 ? 0.6225 0.5758 0.5997 -0.1840 -0.1168 0.2829 527 PRO A C 3478 O O . PRO A 481 ? 0.6461 0.5736 0.6325 -0.1848 -0.1200 0.2837 527 PRO A O 3479 C CB . PRO A 481 ? 0.6087 0.5554 0.5794 -0.1659 -0.1294 0.2975 527 PRO A CB 3480 C CG . PRO A 481 ? 0.5967 0.5364 0.5759 -0.1510 -0.1359 0.2944 527 PRO A CG 3481 C CD . PRO A 481 ? 0.5768 0.5055 0.5659 -0.1488 -0.1339 0.2805 527 PRO A CD 3482 N N . GLY A 482 ? 0.6222 0.5998 0.5920 -0.1927 -0.1081 0.2818 528 GLY A N 3483 C CA . GLY A 482 ? 0.6344 0.6146 0.6104 -0.2038 -0.1015 0.2832 528 GLY A CA 3484 C C . GLY A 482 ? 0.6150 0.5987 0.6034 -0.2066 -0.0982 0.2694 528 GLY A C 3485 O O . GLY A 482 ? 0.6107 0.6034 0.6061 -0.2157 -0.0922 0.2702 528 GLY A O 3486 N N . ALA A 483 ? 0.5988 0.5767 0.5914 -0.1991 -0.1019 0.2574 529 ALA A N 3487 C CA . ALA A 483 ? 0.5751 0.5574 0.5782 -0.2013 -0.0989 0.2438 529 ALA A CA 3488 C C . ALA A 483 ? 0.5652 0.5804 0.5642 -0.2044 -0.0877 0.2388 529 ALA A C 3489 O O . ALA A 483 ? 0.5710 0.6024 0.5555 -0.2021 -0.0834 0.2417 529 ALA A O 3490 C CB . ALA A 483 ? 0.5473 0.5155 0.5538 -0.1917 -0.1047 0.2328 529 ALA A CB 3491 N N . ILE A 484 ? 0.5542 0.5782 0.5651 -0.2090 -0.0831 0.2310 530 ILE A N 3492 C CA . ILE A 484 ? 0.5311 0.5848 0.5413 -0.2097 -0.0714 0.2250 530 ILE A CA 3493 C C . ILE A 484 ? 0.4908 0.5465 0.5061 -0.2038 -0.0721 0.2092 530 ILE A C 3494 O O . ILE A 484 ? 0.4729 0.5131 0.5002 -0.2040 -0.0786 0.2024 530 ILE A O 3495 C CB . ILE A 484 ? 0.5310 0.5978 0.5539 -0.2183 -0.0649 0.2298 530 ILE A CB 3496 C CG1 . ILE A 484 ? 0.5453 0.6191 0.5596 -0.2233 -0.0597 0.2454 530 ILE A CG1 3497 C CG2 . ILE A 484 ? 0.5090 0.6021 0.5382 -0.2164 -0.0543 0.2204 530 ILE A CG2 3498 C CD1 . ILE A 484 ? 0.5492 0.6433 0.5749 -0.2306 -0.0499 0.2517 530 ILE A CD1 3499 N N . PRO A 485 ? 0.4736 0.5457 0.4781 -0.1985 -0.0659 0.2025 531 PRO A N 3500 C CA . PRO A 485 ? 0.4561 0.5282 0.4647 -0.1927 -0.0672 0.1882 531 PRO A CA 3501 C C . PRO A 485 ? 0.4698 0.5494 0.4954 -0.1943 -0.0640 0.1791 531 PRO A C 3502 O O . PRO A 485 ? 0.4971 0.5968 0.5273 -0.1974 -0.0547 0.1811 531 PRO A O 3503 C CB . PRO A 485 ? 0.4329 0.5229 0.4242 -0.1888 -0.0596 0.1845 531 PRO A CB 3504 C CG . PRO A 485 ? 0.4552 0.5512 0.4306 -0.1917 -0.0559 0.1964 531 PRO A CG 3505 C CD . PRO A 485 ? 0.4730 0.5636 0.4595 -0.1982 -0.0567 0.2072 531 PRO A CD 3506 N N . HIS A 486 ? 0.4556 0.5193 0.4902 -0.1915 -0.0717 0.1697 532 HIS A N 3507 C CA . HIS A 486 ? 0.4541 0.5247 0.5024 -0.1914 -0.0703 0.1592 532 HIS A CA 3508 C C . HIS A 486 ? 0.4158 0.4885 0.4629 -0.1831 -0.0702 0.1450 532 HIS A C 3509 O O . HIS A 486 ? 0.4052 0.4582 0.4503 -0.1790 -0.0780 0.1406 532 HIS A O 3510 C CB . HIS A 486 ? 0.5123 0.5602 0.5702 -0.1962 -0.0802 0.1593 532 HIS A CB 3511 C CG . HIS A 486 ? 0.5495 0.6023 0.6187 -0.1957 -0.0811 0.1482 532 HIS A CG 3512 N ND1 . HIS A 486 ? 0.5671 0.6022 0.6361 -0.1906 -0.0882 0.1356 532 HIS A ND1 3513 C CD2 . HIS A 486 ? 0.5657 0.6401 0.6467 -0.1991 -0.0759 0.1484 532 HIS A CD2 3514 C CE1 . HIS A 486 ? 0.5641 0.6088 0.6425 -0.1911 -0.0880 0.1283 532 HIS A CE1 3515 N NE2 . HIS A 486 ? 0.5633 0.6326 0.6505 -0.1963 -0.0808 0.1363 532 HIS A NE2 3516 N N . TRP A 487 ? 0.3894 0.4856 0.4383 -0.1802 -0.0608 0.1384 533 TRP A N 3517 C CA . TRP A 487 ? 0.3652 0.4648 0.4143 -0.1724 -0.0602 0.1244 533 TRP A CA 3518 C C . TRP A 487 ? 0.3772 0.4670 0.4385 -0.1706 -0.0664 0.1152 533 TRP A C 3519 O O . TRP A 487 ? 0.4005 0.4960 0.4719 -0.1751 -0.0659 0.1179 533 TRP A O 3520 C CB . TRP A 487 ? 0.3503 0.4757 0.3954 -0.1695 -0.0476 0.1211 533 TRP A CB 3521 C CG . TRP A 487 ? 0.3671 0.4953 0.3918 -0.1678 -0.0425 0.1262 533 TRP A CG 3522 C CD1 . TRP A 487 ? 0.3807 0.5144 0.3979 -0.1757 -0.0384 0.1408 533 TRP A CD1 3523 C CD2 . TRP A 487 ? 0.3594 0.4844 0.3671 -0.1588 -0.0421 0.1173 533 TRP A CD2 3524 N NE1 . TRP A 487 ? 0.3808 0.5138 0.3750 -0.1717 -0.0360 0.1408 533 TRP A NE1 3525 C CE2 . TRP A 487 ? 0.3635 0.4912 0.3522 -0.1621 -0.0389 0.1265 533 TRP A CE2 3526 C CE3 . TRP A 487 ? 0.3328 0.4530 0.3393 -0.1492 -0.0447 0.1033 533 TRP A CE3 3527 C CZ2 . TRP A 487 ? 0.3473 0.4721 0.3153 -0.1571 -0.0399 0.1215 533 TRP A CZ2 3528 C CZ3 . TRP A 487 ? 0.3239 0.4424 0.3125 -0.1446 -0.0449 0.0992 533 TRP A CZ3 3529 C CH2 . TRP A 487 ? 0.3383 0.4588 0.3077 -0.1490 -0.0432 0.1080 533 TRP A CH2 3530 N N . GLN A 488 ? 0.3741 0.4488 0.4336 -0.1644 -0.0728 0.1052 534 GLN A N 3531 C CA . GLN A 488 ? 0.3936 0.4534 0.4591 -0.1627 -0.0799 0.0964 534 GLN A CA 3532 C C . GLN A 488 ? 0.3516 0.4215 0.4182 -0.1536 -0.0769 0.0829 534 GLN A C 3533 O O . GLN A 488 ? 0.3273 0.4050 0.3874 -0.1458 -0.0719 0.0783 534 GLN A O 3534 C CB . GLN A 488 ? 0.4485 0.4758 0.5085 -0.1620 -0.0903 0.0963 534 GLN A CB 3535 C CG . GLN A 488 ? 0.4734 0.4940 0.5244 -0.1459 -0.0889 0.0863 534 GLN A CG 3536 C CD . GLN A 488 ? 0.5144 0.5082 0.5585 -0.1393 -0.0944 0.0896 534 GLN A CD 3537 O OE1 . GLN A 488 ? 0.5266 0.5046 0.5666 -0.1281 -0.0964 0.0807 534 GLN A OE1 3538 N NE2 . GLN A 488 ? 0.5161 0.5050 0.5585 -0.1451 -0.0960 0.1033 534 GLN A NE2 3539 N N . LEU A 489 ? 0.3401 0.4079 0.4128 -0.1530 -0.0798 0.0764 535 LEU A N 3540 C CA . LEU A 489 ? 0.3284 0.4004 0.4008 -0.1441 -0.0789 0.0640 535 LEU A CA 3541 C C . LEU A 489 ? 0.3413 0.3906 0.4047 -0.1383 -0.0855 0.0569 535 LEU A C 3542 O O . LEU A 489 ? 0.3731 0.3968 0.4321 -0.1404 -0.0938 0.0565 535 LEU A O 3543 C CB . LEU A 489 ? 0.3153 0.3903 0.3956 -0.1458 -0.0819 0.0605 535 LEU A CB 3544 C CG . LEU A 489 ? 0.3025 0.3784 0.3815 -0.1373 -0.0829 0.0485 535 LEU A CG 3545 C CD1 . LEU A 489 ? 0.2568 0.3551 0.3376 -0.1294 -0.0728 0.0454 535 LEU A CD1 3546 C CD2 . LEU A 489 ? 0.3157 0.3939 0.4024 -0.1416 -0.0881 0.0479 535 LEU A CD2 3547 N N . LEU A 490 ? 0.3214 0.3765 0.3787 -0.1267 -0.0796 0.0508 536 LEU A N 3548 C CA . LEU A 490 ? 0.3281 0.3636 0.3767 -0.1159 -0.0822 0.0445 536 LEU A CA 3549 C C . LEU A 490 ? 0.3362 0.3637 0.3825 -0.1105 -0.0851 0.0335 536 LEU A C 3550 O O . LEU A 490 ? 0.3549 0.3578 0.3936 -0.1070 -0.0907 0.0294 536 LEU A O 3551 C CB . LEU A 490 ? 0.3083 0.3537 0.3527 -0.1074 -0.0761 0.0444 536 LEU A CB 3552 C CG . LEU A 490 ? 0.2943 0.3251 0.3339 -0.0954 -0.0773 0.0403 536 LEU A CG 3553 C CD1 . LEU A 490 ? 0.2985 0.3078 0.3357 -0.0949 -0.0825 0.0471 536 LEU A CD1 3554 C CD2 . LEU A 490 ? 0.2704 0.3157 0.3091 -0.0895 -0.0725 0.0406 536 LEU A CD2 3555 N N . TYR A 491 ? 0.3182 0.3644 0.3690 -0.1092 -0.0812 0.0288 537 TYR A N 3556 C CA . TYR A 491 ? 0.3091 0.3497 0.3568 -0.1046 -0.0844 0.0195 537 TYR A CA 3557 C C . TYR A 491 ? 0.3011 0.3663 0.3581 -0.1062 -0.0807 0.0186 537 TYR A C 3558 O O . TYR A 491 ? 0.2760 0.3607 0.3396 -0.1082 -0.0736 0.0236 537 TYR A O 3559 C CB . TYR A 491 ? 0.2966 0.3267 0.3343 -0.0909 -0.0813 0.0125 537 TYR A CB 3560 C CG . TYR A 491 ? 0.2783 0.3270 0.3181 -0.0841 -0.0729 0.0109 537 TYR A CG 3561 C CD1 . TYR A 491 ? 0.2738 0.3312 0.3148 -0.0840 -0.0683 0.0164 537 TYR A CD1 3562 C CD2 . TYR A 491 ? 0.2619 0.3168 0.3003 -0.0782 -0.0706 0.0042 537 TYR A CD2 3563 C CE1 . TYR A 491 ? 0.2529 0.3229 0.2932 -0.0794 -0.0621 0.0144 537 TYR A CE1 3564 C CE2 . TYR A 491 ? 0.2330 0.3009 0.2722 -0.0728 -0.0635 0.0029 537 TYR A CE2 3565 C CZ . TYR A 491 ? 0.2206 0.2949 0.2602 -0.0738 -0.0596 0.0076 537 TYR A CZ 3566 O OH . TYR A 491 ? 0.1664 0.2498 0.2045 -0.0701 -0.0540 0.0058 537 TYR A OH 3567 N N . ARG A 492 ? 0.3161 0.3786 0.3716 -0.1042 -0.0853 0.0122 538 ARG A N 3568 C CA . ARG A 492 ? 0.3198 0.4025 0.3832 -0.1012 -0.0811 0.0109 538 ARG A CA 3569 C C . ARG A 492 ? 0.3001 0.3770 0.3541 -0.0915 -0.0815 0.0023 538 ARG A C 3570 O O . ARG A 492 ? 0.3228 0.3792 0.3650 -0.0890 -0.0877 -0.0032 538 ARG A O 3571 C CB . ARG A 492 ? 0.3767 0.4626 0.4482 -0.1080 -0.0863 0.0139 538 ARG A CB 3572 C CG . ARG A 492 ? 0.4388 0.5502 0.5240 -0.1063 -0.0819 0.0168 538 ARG A CG 3573 C CD . ARG A 492 ? 0.5175 0.6327 0.6120 -0.1140 -0.0890 0.0210 538 ARG A CD 3574 N NE . ARG A 492 ? 0.5830 0.7019 0.6859 -0.1236 -0.0883 0.0304 538 ARG A NE 3575 C CZ . ARG A 492 ? 0.6369 0.7352 0.7334 -0.1317 -0.0958 0.0319 538 ARG A CZ 3576 N NH1 . ARG A 492 ? 0.6692 0.7403 0.7497 -0.1309 -0.1042 0.0238 538 ARG A NH1 3577 N NH2 . ARG A 492 ? 0.6478 0.7517 0.7530 -0.1407 -0.0948 0.0419 538 ARG A NH2 3578 N N . ALA A 493 ? 0.2631 0.3550 0.3197 -0.0843 -0.0732 0.0011 539 ALA A N 3579 C CA . ALA A 493 ? 0.2521 0.3369 0.2987 -0.0733 -0.0701 -0.0054 539 ALA A CA 3580 C C . ALA A 493 ? 0.2756 0.3510 0.3150 -0.0711 -0.0776 -0.0107 539 ALA A C 3581 O O . ALA A 493 ? 0.3003 0.3574 0.3259 -0.0651 -0.0788 -0.0157 539 ALA A O 3582 C CB . ALA A 493 ? 0.2231 0.3237 0.2737 -0.0679 -0.0611 -0.0052 539 ALA A CB 3583 N N . ARG A 494 ? 0.2686 0.3573 0.3165 -0.0751 -0.0821 -0.0090 540 ARG A N 3584 C CA . ARG A 494 ? 0.2882 0.3695 0.3272 -0.0730 -0.0901 -0.0136 540 ARG A CA 3585 C C . ARG A 494 ? 0.3198 0.3756 0.3445 -0.0779 -0.1002 -0.0178 540 ARG A C 3586 O O . ARG A 494 ? 0.3108 0.3486 0.3171 -0.0719 -0.1033 -0.0245 540 ARG A O 3587 C CB . ARG A 494 ? 0.2880 0.3904 0.3418 -0.0770 -0.0944 -0.0090 540 ARG A CB 3588 C CG . ARG A 494 ? 0.2968 0.4175 0.3575 -0.0681 -0.0869 -0.0075 540 ARG A CG 3589 C CD . ARG A 494 ? 0.3181 0.4580 0.3928 -0.0701 -0.0928 -0.0023 540 ARG A CD 3590 N NE . ARG A 494 ? 0.3742 0.4998 0.4368 -0.0722 -0.1046 -0.0062 540 ARG A NE 3591 C CZ . ARG A 494 ? 0.4190 0.5549 0.4900 -0.0749 -0.1118 -0.0025 540 ARG A CZ 3592 N NH1 . ARG A 494 ? 0.4242 0.5862 0.5183 -0.0747 -0.1078 0.0061 540 ARG A NH1 3593 N NH2 . ARG A 494 ? 0.4472 0.5673 0.5026 -0.0776 -0.1227 -0.0071 540 ARG A NH2 3594 N N . GLU A 495 ? 0.3616 0.4133 0.3925 -0.0877 -0.1038 -0.0138 541 GLU A N 3595 C CA . GLU A 495 ? 0.4203 0.4440 0.4369 -0.0928 -0.1129 -0.0174 541 GLU A CA 3596 C C . GLU A 495 ? 0.4029 0.4014 0.4011 -0.0834 -0.1094 -0.0232 541 GLU A C 3597 O O . GLU A 495 ? 0.4245 0.3973 0.4017 -0.0793 -0.1143 -0.0307 541 GLU A O 3598 C CB . GLU A 495 ? 0.4907 0.5174 0.5201 -0.1032 -0.1136 -0.0096 541 GLU A CB 3599 C CG . GLU A 495 ? 0.5725 0.5712 0.5899 -0.1108 -0.1236 -0.0115 541 GLU A CG 3600 C CD . GLU A 495 ? 0.6154 0.6197 0.6470 -0.1216 -0.1236 -0.0018 541 GLU A CD 3601 O OE1 . GLU A 495 ? 0.5900 0.6107 0.6340 -0.1214 -0.1153 0.0049 541 GLU A OE1 3602 O OE2 . GLU A 495 ? 0.6657 0.6573 0.6945 -0.1306 -0.1323 -0.0006 541 GLU A OE2 3603 N N . THR A 496 ? 0.3700 0.3754 0.3749 -0.0778 -0.0989 -0.0195 542 THR A N 3604 C CA . THR A 496 ? 0.3794 0.3628 0.3708 -0.0679 -0.0946 -0.0227 542 THR A CA 3605 C C . THR A 496 ? 0.3796 0.3610 0.3598 -0.0538 -0.0878 -0.0282 542 THR A C 3606 O O . THR A 496 ? 0.4109 0.3700 0.3749 -0.0447 -0.0860 -0.0327 542 THR A O 3607 C CB . THR A 496 ? 0.3606 0.3510 0.3627 -0.0676 -0.0881 -0.0154 542 THR A CB 3608 O OG1 . THR A 496 ? 0.3653 0.3741 0.3736 -0.0598 -0.0785 -0.0139 542 THR A OG1 3609 C CG2 . THR A 496 ? 0.3450 0.3480 0.3613 -0.0812 -0.0916 -0.0080 542 THR A CG2 3610 N N . TYR A 497 ? 0.3347 0.3376 0.3223 -0.0513 -0.0833 -0.0274 543 TYR A N 3611 C CA . TYR A 497 ? 0.3362 0.3377 0.3135 -0.0393 -0.0769 -0.0312 543 TYR A CA 3612 C C . TYR A 497 ? 0.3552 0.3517 0.3197 -0.0388 -0.0834 -0.0365 543 TYR A C 3613 O O . TYR A 497 ? 0.3565 0.3520 0.3109 -0.0291 -0.0782 -0.0389 543 TYR A O 3614 C CB . TYR A 497 ? 0.2960 0.3202 0.2868 -0.0361 -0.0678 -0.0266 543 TYR A CB 3615 C CG . TYR A 497 ? 0.2896 0.3190 0.2903 -0.0365 -0.0625 -0.0213 543 TYR A CG 3616 C CD1 . TYR A 497 ? 0.3012 0.3188 0.2969 -0.0289 -0.0588 -0.0205 543 TYR A CD1 3617 C CD2 . TYR A 497 ? 0.2659 0.3121 0.2800 -0.0436 -0.0610 -0.0165 543 TYR A CD2 3618 C CE1 . TYR A 497 ? 0.2847 0.3091 0.2905 -0.0296 -0.0556 -0.0141 543 TYR A CE1 3619 C CE2 . TYR A 497 ? 0.2523 0.3025 0.2725 -0.0448 -0.0576 -0.0115 543 TYR A CE2 3620 C CZ . TYR A 497 ? 0.2651 0.3053 0.2822 -0.0384 -0.0559 -0.0098 543 TYR A CZ 3621 O OH . TYR A 497 ? 0.2675 0.3136 0.2917 -0.0399 -0.0542 -0.0034 543 TYR A OH 3622 N N . GLY A 498 ? 0.3531 0.3472 0.3178 -0.0497 -0.0951 -0.0373 544 GLY A N 3623 C CA . GLY A 498 ? 0.3596 0.3514 0.3128 -0.0505 -0.1033 -0.0410 544 GLY A CA 3624 C C . GLY A 498 ? 0.3371 0.3528 0.3002 -0.0459 -0.0985 -0.0377 544 GLY A C 3625 O O . GLY A 498 ? 0.3434 0.3541 0.2914 -0.0389 -0.0988 -0.0408 544 GLY A O 3626 N N . LEU A 499 ? 0.3256 0.3652 0.3115 -0.0489 -0.0935 -0.0312 545 LEU A N 3627 C CA . LEU A 499 ? 0.2941 0.3529 0.2886 -0.0435 -0.0882 -0.0280 545 LEU A CA 3628 C C . LEU A 499 ? 0.3051 0.3781 0.3080 -0.0494 -0.0982 -0.0249 545 LEU A C 3629 O O . LEU A 499 ? 0.3067 0.3862 0.3210 -0.0601 -0.1060 -0.0218 545 LEU A O 3630 C CB . LEU A 499 ? 0.2475 0.3222 0.2590 -0.0429 -0.0779 -0.0233 545 LEU A CB 3631 C CG . LEU A 499 ? 0.2289 0.2946 0.2376 -0.0403 -0.0703 -0.0240 545 LEU A CG 3632 C CD1 . LEU A 499 ? 0.1874 0.2676 0.2095 -0.0417 -0.0624 -0.0197 545 LEU A CD1 3633 C CD2 . LEU A 499 ? 0.2201 0.2745 0.2146 -0.0301 -0.0650 -0.0269 545 LEU A CD2 3634 N N . PRO A 500 ? 0.3187 0.3979 0.3177 -0.0429 -0.0987 -0.0241 546 PRO A N 3635 C CA . PRO A 500 ? 0.3025 0.4000 0.3137 -0.0473 -0.1081 -0.0188 546 PRO A CA 3636 C C . PRO A 500 ? 0.2632 0.3867 0.3008 -0.0469 -0.1005 -0.0113 546 PRO A C 3637 O O . PRO A 500 ? 0.2476 0.3912 0.3035 -0.0525 -0.1067 -0.0047 546 PRO A O 3638 C CB . PRO A 500 ? 0.3190 0.4122 0.3146 -0.0384 -0.1096 -0.0200 546 PRO A CB 3639 C CG . PRO A 500 ? 0.3289 0.4128 0.3158 -0.0280 -0.0951 -0.0224 546 PRO A CG 3640 C CD . PRO A 500 ? 0.3285 0.4007 0.3142 -0.0311 -0.0901 -0.0262 546 PRO A CD 3641 N N . ASN A 501 ? 0.2542 0.3771 0.2934 -0.0399 -0.0868 -0.0119 547 ASN A N 3642 C CA . ASN A 501 ? 0.2458 0.3867 0.3035 -0.0381 -0.0773 -0.0068 547 ASN A CA 3643 C C . ASN A 501 ? 0.2563 0.3863 0.3074 -0.0354 -0.0663 -0.0101 547 ASN A C 3644 O O . ASN A 501 ? 0.2663 0.3793 0.3035 -0.0353 -0.0666 -0.0147 547 ASN A O 3645 C CB . ASN A 501 ? 0.2318 0.3863 0.2971 -0.0292 -0.0742 -0.0022 547 ASN A CB 3646 C CG . ASN A 501 ? 0.2552 0.3955 0.3036 -0.0202 -0.0714 -0.0053 547 ASN A CG 3647 O OD1 . ASN A 501 ? 0.2682 0.3957 0.3072 -0.0169 -0.0629 -0.0089 547 ASN A OD1 3648 N ND2 . ASN A 501 ? 0.2644 0.4082 0.3095 -0.0166 -0.0789 -0.0027 547 ASN A ND2 3649 N N . THR A 502 ? 0.2459 0.3855 0.3064 -0.0331 -0.0566 -0.0075 548 THR A N 3650 C CA . THR A 502 ? 0.2240 0.3539 0.2776 -0.0320 -0.0479 -0.0102 548 THR A CA 3651 C C . THR A 502 ? 0.2259 0.3541 0.2766 -0.0235 -0.0394 -0.0104 548 THR A C 3652 O O . THR A 502 ? 0.2267 0.3521 0.2755 -0.0233 -0.0317 -0.0112 548 THR A O 3653 C CB . THR A 502 ? 0.1958 0.3322 0.2566 -0.0388 -0.0446 -0.0081 548 THR A CB 3654 O OG1 . THR A 502 ? 0.1937 0.3482 0.2682 -0.0375 -0.0407 -0.0032 548 THR A OG1 3655 C CG2 . THR A 502 ? 0.1858 0.3181 0.2471 -0.0478 -0.0531 -0.0077 548 THR A CG2 3656 N N . LEU A 503 ? 0.2311 0.3591 0.2796 -0.0170 -0.0414 -0.0095 549 LEU A N 3657 C CA . LEU A 503 ? 0.2328 0.3548 0.2768 -0.0092 -0.0340 -0.0092 549 LEU A CA 3658 C C . LEU A 503 ? 0.2385 0.3449 0.2700 -0.0097 -0.0314 -0.0121 549 LEU A C 3659 O O . LEU A 503 ? 0.2481 0.3497 0.2746 -0.0135 -0.0351 -0.0139 549 LEU A O 3660 C CB . LEU A 503 ? 0.2249 0.3524 0.2712 -0.0020 -0.0376 -0.0056 549 LEU A CB 3661 C CG . LEU A 503 ? 0.2035 0.3511 0.2666 -0.0016 -0.0406 -0.0006 549 LEU A CG 3662 C CD1 . LEU A 503 ? 0.1959 0.3501 0.2612 0.0046 -0.0470 0.0041 549 LEU A CD1 3663 C CD2 . LEU A 503 ? 0.1858 0.3390 0.2570 0.0026 -0.0297 0.0009 549 LEU A CD2 3664 N N . PRO A 504 ? 0.2322 0.3303 0.2591 -0.0058 -0.0248 -0.0118 550 PRO A N 3665 C CA . PRO A 504 ? 0.2223 0.3088 0.2407 -0.0080 -0.0226 -0.0124 550 PRO A CA 3666 C C . PRO A 504 ? 0.2226 0.3068 0.2354 -0.0064 -0.0262 -0.0116 550 PRO A C 3667 O O . PRO A 504 ? 0.2352 0.3159 0.2455 -0.0095 -0.0254 -0.0117 550 PRO A O 3668 C CB . PRO A 504 ? 0.2231 0.3002 0.2375 -0.0037 -0.0169 -0.0110 550 PRO A CB 3669 C CG . PRO A 504 ? 0.2227 0.3040 0.2420 -0.0007 -0.0134 -0.0119 550 PRO A CG 3670 C CD . PRO A 504 ? 0.2201 0.3181 0.2497 -0.0001 -0.0185 -0.0106 550 PRO A CD 3671 N N . THR A 505 ? 0.2115 0.2979 0.2214 -0.0011 -0.0298 -0.0102 551 THR A N 3672 C CA . THR A 505 ? 0.2284 0.3098 0.2278 0.0017 -0.0319 -0.0099 551 THR A CA 3673 C C . THR A 505 ? 0.2186 0.2985 0.2152 -0.0021 -0.0362 -0.0137 551 THR A C 3674 O O . THR A 505 ? 0.2280 0.3013 0.2160 0.0003 -0.0341 -0.0140 551 THR A O 3675 C CB . THR A 505 ? 0.2582 0.3412 0.2520 0.0076 -0.0363 -0.0076 551 THR A CB 3676 O OG1 . THR A 505 ? 0.2715 0.3534 0.2680 0.0122 -0.0315 -0.0033 551 THR A OG1 3677 C CG2 . THR A 505 ? 0.2773 0.3526 0.2548 0.0114 -0.0372 -0.0076 551 THR A CG2 3678 N N . ALA A 506 ? 0.2015 0.2869 0.2053 -0.0073 -0.0413 -0.0157 552 ALA A N 3679 C CA . ALA A 506 ? 0.2171 0.2975 0.2175 -0.0114 -0.0458 -0.0189 552 ALA A CA 3680 C C . ALA A 506 ? 0.2318 0.3087 0.2342 -0.0132 -0.0404 -0.0186 552 ALA A C 3681 O O . ALA A 506 ? 0.2383 0.3072 0.2342 -0.0118 -0.0408 -0.0200 552 ALA A O 3682 C CB . ALA A 506 ? 0.1985 0.2868 0.2085 -0.0183 -0.0525 -0.0192 552 ALA A CB 3683 N N . TRP A 507 ? 0.2302 0.3120 0.2405 -0.0158 -0.0355 -0.0164 553 TRP A N 3684 C CA . TRP A 507 ? 0.2397 0.3204 0.2527 -0.0189 -0.0323 -0.0148 553 TRP A CA 3685 C C . TRP A 507 ? 0.2488 0.3268 0.2585 -0.0143 -0.0274 -0.0117 553 TRP A C 3686 O O . TRP A 507 ? 0.2364 0.3138 0.2472 -0.0134 -0.0260 -0.0097 553 TRP A O 3687 C CB . TRP A 507 ? 0.2193 0.3041 0.2381 -0.0245 -0.0302 -0.0141 553 TRP A CB 3688 C CG . TRP A 507 ? 0.2139 0.3041 0.2372 -0.0282 -0.0332 -0.0155 553 TRP A CG 3689 C CD1 . TRP A 507 ? 0.2032 0.2996 0.2302 -0.0270 -0.0324 -0.0157 553 TRP A CD1 3690 C CD2 . TRP A 507 ? 0.2098 0.3008 0.2358 -0.0334 -0.0372 -0.0153 553 TRP A CD2 3691 N NE1 . TRP A 507 ? 0.2023 0.3059 0.2357 -0.0320 -0.0353 -0.0151 553 TRP A NE1 3692 C CE2 . TRP A 507 ? 0.2046 0.3036 0.2366 -0.0366 -0.0386 -0.0150 553 TRP A CE2 3693 C CE3 . TRP A 507 ? 0.1971 0.2829 0.2220 -0.0352 -0.0392 -0.0143 553 TRP A CE3 3694 C CZ2 . TRP A 507 ? 0.1987 0.3002 0.2350 -0.0431 -0.0425 -0.0135 553 TRP A CZ2 3695 C CZ3 . TRP A 507 ? 0.1974 0.2830 0.2252 -0.0407 -0.0433 -0.0135 553 TRP A CZ3 3696 C CH2 . TRP A 507 ? 0.1968 0.2899 0.2300 -0.0454 -0.0451 -0.0130 553 TRP A CH2 3697 N N . HIS A 508 ? 0.2491 0.3263 0.2558 -0.0108 -0.0244 -0.0100 554 HIS A N 3698 C CA . HIS A 508 ? 0.2352 0.3110 0.2382 -0.0061 -0.0194 -0.0057 554 HIS A CA 3699 C C . HIS A 508 ? 0.2494 0.3214 0.2437 0.0005 -0.0194 -0.0071 554 HIS A C 3700 O O . HIS A 508 ? 0.2584 0.3316 0.2542 0.0033 -0.0149 -0.0037 554 HIS A O 3701 C CB . HIS A 508 ? 0.2229 0.2962 0.2215 -0.0027 -0.0175 -0.0036 554 HIS A CB 3702 C CG . HIS A 508 ? 0.2103 0.2822 0.2026 0.0030 -0.0123 0.0016 554 HIS A CG 3703 N ND1 . HIS A 508 ? 0.2081 0.2816 0.2058 0.0005 -0.0070 0.0083 554 HIS A ND1 3704 C CD2 . HIS A 508 ? 0.2215 0.2905 0.2015 0.0107 -0.0115 0.0015 554 HIS A CD2 3705 C CE1 . HIS A 508 ? 0.2204 0.2942 0.2115 0.0068 -0.0020 0.0133 554 HIS A CE1 3706 N NE2 . HIS A 508 ? 0.2272 0.2974 0.2057 0.0137 -0.0042 0.0088 554 HIS A NE2 3707 N N . ASN A 509 ? 0.2462 0.3130 0.2307 0.0031 -0.0246 -0.0118 555 ASN A N 3708 C CA . ASN A 509 ? 0.2626 0.3202 0.2328 0.0093 -0.0252 -0.0148 555 ASN A CA 3709 C C . ASN A 509 ? 0.2827 0.3366 0.2559 0.0086 -0.0251 -0.0162 555 ASN A C 3710 O O . ASN A 509 ? 0.3083 0.3560 0.2735 0.0161 -0.0200 -0.0157 555 ASN A O 3711 C CB . ASN A 509 ? 0.2513 0.3029 0.2102 0.0090 -0.0340 -0.0198 555 ASN A CB 3712 C CG . ASN A 509 ? 0.2547 0.3087 0.2073 0.0127 -0.0341 -0.0172 555 ASN A CG 3713 O OD1 . ASN A 509 ? 0.2455 0.3017 0.1979 0.0168 -0.0265 -0.0120 555 ASN A OD1 3714 N ND2 . ASN A 509 ? 0.2531 0.3073 0.2015 0.0108 -0.0434 -0.0195 555 ASN A ND2 3715 N N . LEU A 510 ? 0.2700 0.3274 0.2541 0.0006 -0.0298 -0.0172 556 LEU A N 3716 C CA . LEU A 510 ? 0.2650 0.3178 0.2519 -0.0004 -0.0307 -0.0176 556 LEU A CA 3717 C C . LEU A 510 ? 0.2799 0.3389 0.2749 0.0035 -0.0232 -0.0112 556 LEU A C 3718 O O . LEU A 510 ? 0.3086 0.3612 0.3003 0.0101 -0.0203 -0.0105 556 LEU A O 3719 C CB . LEU A 510 ? 0.2293 0.2868 0.2266 -0.0104 -0.0364 -0.0179 556 LEU A CB 3720 C CG . LEU A 510 ? 0.2054 0.2579 0.2061 -0.0123 -0.0381 -0.0168 556 LEU A CG 3721 C CD1 . LEU A 510 ? 0.2032 0.2382 0.1905 -0.0096 -0.0429 -0.0221 556 LEU A CD1 3722 C CD2 . LEU A 510 ? 0.1805 0.2408 0.1917 -0.0223 -0.0416 -0.0150 556 LEU A CD2 3723 N N . VAL A 511 ? 0.2592 0.3302 0.2649 -0.0003 -0.0201 -0.0059 557 VAL A N 3724 C CA . VAL A 511 ? 0.2565 0.3367 0.2728 0.0016 -0.0143 0.0020 557 VAL A CA 3725 C C . VAL A 511 ? 0.2887 0.3665 0.2976 0.0136 -0.0065 0.0043 557 VAL A C 3726 O O . VAL A 511 ? 0.3043 0.3848 0.3184 0.0199 -0.0019 0.0088 557 VAL A O 3727 C CB . VAL A 511 ? 0.2306 0.3205 0.2563 -0.0062 -0.0137 0.0068 557 VAL A CB 3728 C CG1 . VAL A 511 ? 0.2253 0.3268 0.2625 -0.0047 -0.0081 0.0167 557 VAL A CG1 3729 C CG2 . VAL A 511 ? 0.2035 0.2951 0.2348 -0.0166 -0.0198 0.0053 557 VAL A CG2 3730 N N . TYR A 512 ? 0.2976 0.3697 0.2931 0.0182 -0.0043 0.0017 558 TYR A N 3731 C CA . TYR A 512 ? 0.3009 0.3707 0.2865 0.0303 0.0048 0.0044 558 TYR A CA 3732 C C . TYR A 512 ? 0.3373 0.3898 0.3051 0.0393 0.0046 -0.0027 558 TYR A C 3733 O O . TYR A 512 ? 0.3640 0.4141 0.3259 0.0510 0.0139 0.0000 558 TYR A O 3734 C CB . TYR A 512 ? 0.2760 0.3457 0.2518 0.0321 0.0076 0.0057 558 TYR A CB 3735 C CG . TYR A 512 ? 0.2490 0.3331 0.2416 0.0254 0.0106 0.0149 558 TYR A CG 3736 C CD1 . TYR A 512 ? 0.2439 0.3411 0.2485 0.0284 0.0195 0.0256 558 TYR A CD1 3737 C CD2 . TYR A 512 ? 0.2187 0.3028 0.2159 0.0158 0.0044 0.0134 558 TYR A CD2 3738 C CE1 . TYR A 512 ? 0.2302 0.3389 0.2503 0.0195 0.0203 0.0344 558 TYR A CE1 3739 C CE2 . TYR A 512 ? 0.2125 0.3043 0.2218 0.0088 0.0061 0.0207 558 TYR A CE2 3740 C CZ . TYR A 512 ? 0.2220 0.3255 0.2426 0.0094 0.0131 0.0311 558 TYR A CZ 3741 O OH . TYR A 512 ? 0.2262 0.3354 0.2583 -0.0001 0.0129 0.0386 558 TYR A OH 3742 N N . ARG A 513 ? 0.3422 0.3817 0.3011 0.0341 -0.0053 -0.0114 559 ARG A N 3743 C CA . ARG A 513 ? 0.3576 0.3774 0.3012 0.0400 -0.0072 -0.0180 559 ARG A CA 3744 C C . ARG A 513 ? 0.3437 0.3671 0.3015 0.0433 -0.0032 -0.0129 559 ARG A C 3745 O O . ARG A 513 ? 0.3542 0.3659 0.3021 0.0554 0.0034 -0.0134 559 ARG A O 3746 C CB . ARG A 513 ? 0.3808 0.3891 0.3174 0.0303 -0.0203 -0.0260 559 ARG A CB 3747 C CG . ARG A 513 ? 0.4132 0.4168 0.3344 0.0283 -0.0262 -0.0309 559 ARG A CG 3748 C CD . ARG A 513 ? 0.4255 0.4280 0.3511 0.0160 -0.0392 -0.0349 559 ARG A CD 3749 N NE . ARG A 513 ? 0.4489 0.4337 0.3677 0.0137 -0.0450 -0.0397 559 ARG A NE 3750 C CZ . ARG A 513 ? 0.4424 0.4277 0.3705 0.0023 -0.0544 -0.0405 559 ARG A CZ 3751 N NH1 . ARG A 513 ? 0.4183 0.4226 0.3633 -0.0066 -0.0580 -0.0371 559 ARG A NH1 3752 N NH2 . ARG A 513 ? 0.4676 0.4336 0.3879 0.0004 -0.0593 -0.0442 559 ARG A NH2 3753 N N . MET A 514 ? 0.3158 0.3546 0.2955 0.0334 -0.0067 -0.0074 560 MET A N 3754 C CA . MET A 514 ? 0.3136 0.3576 0.3078 0.0358 -0.0046 -0.0010 560 MET A CA 3755 C C . MET A 514 ? 0.3251 0.3839 0.3302 0.0460 0.0069 0.0090 560 MET A C 3756 O O . MET A 514 ? 0.3477 0.4082 0.3612 0.0537 0.0109 0.0145 560 MET A O 3757 C CB . MET A 514 ? 0.2808 0.3375 0.2926 0.0220 -0.0120 0.0027 560 MET A CB 3758 C CG . MET A 514 ? 0.2666 0.3116 0.2718 0.0128 -0.0219 -0.0045 560 MET A CG 3759 S SD . MET A 514 ? 0.2407 0.2996 0.2627 -0.0014 -0.0282 0.0004 560 MET A SD 3760 C CE . MET A 514 ? 0.2210 0.2950 0.2483 -0.0079 -0.0266 0.0015 560 MET A CE 3761 N N . ARG A 515 ? 0.3092 0.3799 0.3161 0.0465 0.0126 0.0129 561 ARG A N 3762 C CA . ARG A 515 ? 0.3035 0.3903 0.3220 0.0561 0.0244 0.0241 561 ARG A CA 3763 C C . ARG A 515 ? 0.3328 0.4054 0.3350 0.0745 0.0345 0.0218 561 ARG A C 3764 O O . ARG A 515 ? 0.3508 0.4355 0.3657 0.0855 0.0447 0.0316 561 ARG A O 3765 C CB . ARG A 515 ? 0.2851 0.3840 0.3057 0.0528 0.0287 0.0289 561 ARG A CB 3766 C CG . ARG A 515 ? 0.2764 0.3976 0.3153 0.0593 0.0403 0.0435 561 ARG A CG 3767 C CD . ARG A 515 ? 0.2941 0.4244 0.3332 0.0555 0.0447 0.0489 561 ARG A CD 3768 N NE . ARG A 515 ? 0.3407 0.4562 0.3532 0.0669 0.0519 0.0432 561 ARG A NE 3769 C CZ . ARG A 515 ? 0.3598 0.4766 0.3647 0.0649 0.0548 0.0457 561 ARG A CZ 3770 N NH1 . ARG A 515 ? 0.3646 0.4945 0.3866 0.0520 0.0513 0.0532 561 ARG A NH1 3771 N NH2 . ARG A 515 ? 0.3851 0.4878 0.3631 0.0755 0.0605 0.0407 561 ARG A NH2 3772 N N . GLY A 516 ? 0.3527 0.3993 0.3264 0.0782 0.0318 0.0094 562 GLY A N 3773 C CA . GLY A 516 ? 0.3842 0.4122 0.3351 0.0960 0.0418 0.0054 562 GLY A CA 3774 C C . GLY A 516 ? 0.4040 0.4034 0.3386 0.0997 0.0362 -0.0042 562 GLY A C 3775 O O . GLY A 516 ? 0.4508 0.4281 0.3618 0.1150 0.0440 -0.0095 562 GLY A O 3776 N N . ASP A 517 ? 0.3826 0.3802 0.3276 0.0861 0.0233 -0.0066 563 ASP A N 3777 C CA . ASP A 517 ? 0.4233 0.3920 0.3532 0.0868 0.0163 -0.0151 563 ASP A CA 3778 C C . ASP A 517 ? 0.3990 0.3786 0.3543 0.0820 0.0125 -0.0071 563 ASP A C 3779 O O . ASP A 517 ? 0.3829 0.3738 0.3522 0.0660 0.0024 -0.0057 563 ASP A O 3780 C CB . ASP A 517 ? 0.4538 0.4055 0.3657 0.0736 0.0025 -0.0266 563 ASP A CB 3781 C CG . ASP A 517 ? 0.5206 0.4397 0.4148 0.0723 -0.0060 -0.0353 563 ASP A CG 3782 O OD1 . ASP A 517 ? 0.5504 0.4558 0.4435 0.0828 -0.0009 -0.0336 563 ASP A OD1 3783 O OD2 . ASP A 517 ? 0.5500 0.4565 0.4313 0.0606 -0.0182 -0.0434 563 ASP A OD2 3784 N N . MET A 518 ? 0.4216 0.3972 0.3814 0.0967 0.0212 -0.0013 564 MET A N 3785 C CA . MET A 518 ? 0.4327 0.4217 0.4180 0.0937 0.0181 0.0089 564 MET A CA 3786 C C . MET A 518 ? 0.4126 0.3809 0.3912 0.0822 0.0047 0.0028 564 MET A C 3787 O O . MET A 518 ? 0.3821 0.3658 0.3800 0.0700 -0.0029 0.0093 564 MET A O 3788 C CB . MET A 518 ? 0.5096 0.4991 0.5019 0.1145 0.0309 0.0176 564 MET A CB 3789 C CG . MET A 518 ? 0.5635 0.5762 0.5879 0.1117 0.0278 0.0323 564 MET A CG 3790 S SD . MET A 518 ? 0.5874 0.6469 0.6439 0.0969 0.0253 0.0450 564 MET A SD 3791 C CE . MET A 518 ? 0.5703 0.6465 0.6529 0.0862 0.0141 0.0569 564 MET A CE 3792 N N . GLN A 519 ? 0.4448 0.3776 0.3951 0.0851 0.0015 -0.0092 565 GLN A N 3793 C CA . GLN A 519 ? 0.4708 0.3839 0.4156 0.0723 -0.0116 -0.0140 565 GLN A CA 3794 C C . GLN A 519 ? 0.4286 0.3597 0.3831 0.0517 -0.0223 -0.0150 565 GLN A C 3795 O O . GLN A 519 ? 0.4083 0.3461 0.3763 0.0396 -0.0301 -0.0104 565 GLN A O 3796 C CB . GLN A 519 ? 0.5608 0.4310 0.4714 0.0773 -0.0144 -0.0271 565 GLN A CB 3797 C CG . GLN A 519 ? 0.6292 0.4770 0.5340 0.0630 -0.0285 -0.0311 565 GLN A CG 3798 C CD . GLN A 519 ? 0.7368 0.5377 0.6060 0.0678 -0.0322 -0.0437 565 GLN A CD 3799 O OE1 . GLN A 519 ? 0.7925 0.5713 0.6431 0.0870 -0.0218 -0.0472 565 GLN A OE1 3800 N NE2 . GLN A 519 ? 0.7587 0.5436 0.6178 0.0501 -0.0470 -0.0504 565 GLN A NE2 3801 N N . LEU A 520 ? 0.4124 0.3519 0.3601 0.0485 -0.0218 -0.0200 566 LEU A N 3802 C CA . LEU A 520 ? 0.3749 0.3330 0.3333 0.0318 -0.0298 -0.0200 566 LEU A CA 3803 C C . LEU A 520 ? 0.3448 0.3322 0.3296 0.0261 -0.0282 -0.0092 566 LEU A C 3804 O O . LEU A 520 ? 0.3341 0.3295 0.3286 0.0129 -0.0356 -0.0073 566 LEU A O 3805 C CB . LEU A 520 ? 0.3725 0.3351 0.3200 0.0322 -0.0282 -0.0253 566 LEU A CB 3806 C CG . LEU A 520 ? 0.3466 0.3265 0.3036 0.0177 -0.0353 -0.0256 566 LEU A CG 3807 C CD1 . LEU A 520 ? 0.3480 0.3161 0.3011 0.0053 -0.0474 -0.0302 566 LEU A CD1 3808 C CD2 . LEU A 520 ? 0.3385 0.3221 0.2847 0.0213 -0.0325 -0.0290 566 LEU A CD2 3809 N N . PHE A 521 ? 0.3270 0.3307 0.3233 0.0356 -0.0189 -0.0015 567 PHE A N 3810 C CA . PHE A 521 ? 0.3185 0.3485 0.3383 0.0286 -0.0196 0.0089 567 PHE A CA 3811 C C . PHE A 521 ? 0.3247 0.3521 0.3534 0.0252 -0.0249 0.0147 567 PHE A C 3812 O O . PHE A 521 ? 0.2997 0.3414 0.3400 0.0133 -0.0307 0.0196 567 PHE A O 3813 C CB . PHE A 521 ? 0.3042 0.3538 0.3370 0.0380 -0.0098 0.0179 567 PHE A CB 3814 C CG . PHE A 521 ? 0.2713 0.3464 0.3275 0.0295 -0.0127 0.0292 567 PHE A CG 3815 C CD1 . PHE A 521 ? 0.2454 0.3336 0.3064 0.0157 -0.0174 0.0290 567 PHE A CD1 3816 C CD2 . PHE A 521 ? 0.2707 0.3545 0.3423 0.0352 -0.0118 0.0401 567 PHE A CD2 3817 C CE1 . PHE A 521 ? 0.2359 0.3435 0.3138 0.0065 -0.0216 0.0382 567 PHE A CE1 3818 C CE2 . PHE A 521 ? 0.2487 0.3558 0.3402 0.0257 -0.0169 0.0509 567 PHE A CE2 3819 C CZ . PHE A 521 ? 0.2336 0.3514 0.3267 0.0107 -0.0222 0.0493 567 PHE A CZ 3820 N N . GLN A 522 ? 0.3489 0.3562 0.3704 0.0363 -0.0228 0.0146 568 GLN A N 3821 C CA . GLN A 522 ? 0.3555 0.3577 0.3844 0.0337 -0.0282 0.0211 568 GLN A CA 3822 C C . GLN A 522 ? 0.3362 0.3298 0.3594 0.0173 -0.0387 0.0165 568 GLN A C 3823 O O . GLN A 522 ? 0.3390 0.3409 0.3725 0.0087 -0.0441 0.0238 568 GLN A O 3824 C CB . GLN A 522 ? 0.4015 0.3784 0.4209 0.0501 -0.0233 0.0210 568 GLN A CB 3825 C CG . GLN A 522 ? 0.4308 0.4228 0.4641 0.0673 -0.0122 0.0311 568 GLN A CG 3826 C CD . GLN A 522 ? 0.4355 0.4594 0.4969 0.0619 -0.0151 0.0463 568 GLN A CD 3827 O OE1 . GLN A 522 ? 0.4215 0.4719 0.5000 0.0667 -0.0090 0.0551 568 GLN A OE1 3828 N NE2 . GLN A 522 ? 0.4438 0.4653 0.5095 0.0510 -0.0250 0.0504 568 GLN A NE2 3829 N N . THR A 523 ? 0.3136 0.2921 0.3207 0.0126 -0.0419 0.0056 569 THR A N 3830 C CA . THR A 523 ? 0.2975 0.2746 0.3035 -0.0036 -0.0509 0.0030 569 THR A CA 3831 C C . THR A 523 ? 0.2830 0.2884 0.3031 -0.0140 -0.0516 0.0077 569 THR A C 3832 O O . THR A 523 ? 0.2913 0.3033 0.3183 -0.0238 -0.0560 0.0131 569 THR A O 3833 C CB . THR A 523 ? 0.3039 0.2658 0.2935 -0.0071 -0.0548 -0.0080 569 THR A CB 3834 O OG1 . THR A 523 ? 0.3302 0.2597 0.3021 -0.0002 -0.0566 -0.0134 569 THR A OG1 3835 C CG2 . THR A 523 ? 0.2842 0.2536 0.2786 -0.0239 -0.0629 -0.0083 569 THR A CG2 3836 N N . PHE A 524 ? 0.2684 0.2884 0.2906 -0.0117 -0.0468 0.0057 570 PHE A N 3837 C CA . PHE A 524 ? 0.2438 0.2857 0.2758 -0.0206 -0.0470 0.0088 570 PHE A CA 3838 C C . PHE A 524 ? 0.2442 0.2984 0.2881 -0.0228 -0.0480 0.0190 570 PHE A C 3839 O O . PHE A 524 ? 0.2391 0.3023 0.2859 -0.0334 -0.0517 0.0217 570 PHE A O 3840 C CB . PHE A 524 ? 0.2306 0.2820 0.2622 -0.0161 -0.0415 0.0061 570 PHE A CB 3841 C CG . PHE A 524 ? 0.2274 0.2970 0.2673 -0.0237 -0.0412 0.0095 570 PHE A CG 3842 C CD1 . PHE A 524 ? 0.2285 0.3014 0.2653 -0.0323 -0.0432 0.0052 570 PHE A CD1 3843 C CD2 . PHE A 524 ? 0.2238 0.3065 0.2742 -0.0222 -0.0389 0.0173 570 PHE A CD2 3844 C CE1 . PHE A 524 ? 0.2225 0.3068 0.2627 -0.0384 -0.0424 0.0070 570 PHE A CE1 3845 C CE2 . PHE A 524 ? 0.2175 0.3127 0.2723 -0.0307 -0.0401 0.0196 570 PHE A CE2 3846 C CZ . PHE A 524 ? 0.2145 0.3081 0.2622 -0.0385 -0.0416 0.0136 570 PHE A CZ 3847 N N . TRP A 525 ? 0.2598 0.3148 0.3101 -0.0124 -0.0446 0.0253 571 TRP A N 3848 C CA . TRP A 525 ? 0.2661 0.3348 0.3297 -0.0141 -0.0470 0.0369 571 TRP A CA 3849 C C . TRP A 525 ? 0.2945 0.3541 0.3561 -0.0205 -0.0536 0.0405 571 TRP A C 3850 O O . TRP A 525 ? 0.2899 0.3614 0.3568 -0.0290 -0.0583 0.0478 571 TRP A O 3851 C CB . TRP A 525 ? 0.2630 0.3360 0.3364 0.0006 -0.0411 0.0440 571 TRP A CB 3852 C CG . TRP A 525 ? 0.2471 0.3373 0.3375 0.0004 -0.0442 0.0580 571 TRP A CG 3853 C CD1 . TRP A 525 ? 0.2626 0.3473 0.3590 0.0079 -0.0455 0.0665 571 TRP A CD1 3854 C CD2 . TRP A 525 ? 0.2202 0.3354 0.3239 -0.0076 -0.0472 0.0660 571 TRP A CD2 3855 N NE1 . TRP A 525 ? 0.2600 0.3678 0.3742 0.0054 -0.0495 0.0802 571 TRP A NE1 3856 C CE2 . TRP A 525 ? 0.2320 0.3586 0.3504 -0.0052 -0.0513 0.0798 571 TRP A CE2 3857 C CE3 . TRP A 525 ? 0.2059 0.3333 0.3097 -0.0170 -0.0477 0.0631 571 TRP A CE3 3858 C CZ2 . TRP A 525 ? 0.2102 0.3614 0.3433 -0.0134 -0.0573 0.0909 571 TRP A CZ2 3859 C CZ3 . TRP A 525 ? 0.1955 0.3438 0.3122 -0.0255 -0.0531 0.0731 571 TRP A CZ3 3860 C CH2 . TRP A 525 ? 0.1950 0.3559 0.3262 -0.0243 -0.0585 0.0868 571 TRP A CH2 3861 N N . PHE A 526 ? 0.3208 0.3576 0.3726 -0.0173 -0.0544 0.0358 572 PHE A N 3862 C CA . PHE A 526 ? 0.3125 0.3386 0.3614 -0.0253 -0.0607 0.0393 572 PHE A CA 3863 C C . PHE A 526 ? 0.2996 0.3367 0.3466 -0.0405 -0.0641 0.0376 572 PHE A C 3864 O O . PHE A 526 ? 0.2906 0.3367 0.3406 -0.0483 -0.0675 0.0453 572 PHE A O 3865 C CB . PHE A 526 ? 0.3089 0.3061 0.3459 -0.0212 -0.0618 0.0329 572 PHE A CB 3866 C CG . PHE A 526 ? 0.2937 0.2768 0.3277 -0.0303 -0.0685 0.0371 572 PHE A CG 3867 C CD1 . PHE A 526 ? 0.2883 0.2631 0.3265 -0.0256 -0.0704 0.0473 572 PHE A CD1 3868 C CD2 . PHE A 526 ? 0.2851 0.2632 0.3133 -0.0431 -0.0729 0.0321 572 PHE A CD2 3869 C CE1 . PHE A 526 ? 0.2929 0.2528 0.3277 -0.0344 -0.0765 0.0524 572 PHE A CE1 3870 C CE2 . PHE A 526 ? 0.2918 0.2576 0.3186 -0.0527 -0.0788 0.0375 572 PHE A CE2 3871 C CZ . PHE A 526 ? 0.2950 0.2503 0.3241 -0.0486 -0.0806 0.0476 572 PHE A CZ 3872 N N . LEU A 527 ? 0.2914 0.3281 0.3326 -0.0441 -0.0627 0.0282 573 LEU A N 3873 C CA . LEU A 527 ? 0.2835 0.3310 0.3236 -0.0561 -0.0639 0.0268 573 LEU A CA 3874 C C . LEU A 527 ? 0.2979 0.3639 0.3409 -0.0598 -0.0623 0.0302 573 LEU A C 3875 O O . LEU A 527 ? 0.3106 0.3836 0.3508 -0.0689 -0.0633 0.0327 573 LEU A O 3876 C CB . LEU A 527 ? 0.2504 0.2959 0.2862 -0.0569 -0.0626 0.0173 573 LEU A CB 3877 C CG . LEU A 527 ? 0.2574 0.2822 0.2872 -0.0559 -0.0666 0.0134 573 LEU A CG 3878 C CD1 . LEU A 527 ? 0.2505 0.2749 0.2759 -0.0563 -0.0670 0.0047 573 LEU A CD1 3879 C CD2 . LEU A 527 ? 0.2590 0.2768 0.2900 -0.0660 -0.0719 0.0192 573 LEU A CD2 3880 N N . TYR A 528 ? 0.2943 0.3672 0.3416 -0.0533 -0.0599 0.0308 574 TYR A N 3881 C CA . TYR A 528 ? 0.2844 0.3721 0.3336 -0.0581 -0.0601 0.0338 574 TYR A CA 3882 C C . TYR A 528 ? 0.2979 0.3905 0.3467 -0.0654 -0.0655 0.0429 574 TYR A C 3883 O O . TYR A 528 ? 0.3007 0.4000 0.3426 -0.0741 -0.0668 0.0429 574 TYR A O 3884 C CB . TYR A 528 ? 0.2520 0.3462 0.3097 -0.0498 -0.0576 0.0361 574 TYR A CB 3885 C CG . TYR A 528 ? 0.2186 0.3274 0.2810 -0.0547 -0.0591 0.0403 574 TYR A CG 3886 C CD1 . TYR A 528 ? 0.2072 0.3260 0.2769 -0.0581 -0.0648 0.0511 574 TYR A CD1 3887 C CD2 . TYR A 528 ? 0.2047 0.3165 0.2650 -0.0555 -0.0556 0.0348 574 TYR A CD2 3888 C CE1 . TYR A 528 ? 0.2020 0.3340 0.2765 -0.0642 -0.0682 0.0557 574 TYR A CE1 3889 C CE2 . TYR A 528 ? 0.1961 0.3187 0.2606 -0.0613 -0.0580 0.0392 574 TYR A CE2 3890 C CZ . TYR A 528 ? 0.2078 0.3406 0.2794 -0.0664 -0.0649 0.0495 574 TYR A CZ 3891 O OH . TYR A 528 ? 0.2151 0.3586 0.2910 -0.0745 -0.0696 0.0546 574 TYR A OH 3892 N N . HIS A 529 ? 0.2953 0.3826 0.3492 -0.0615 -0.0686 0.0506 575 HIS A N 3893 C CA . HIS A 529 ? 0.2903 0.3814 0.3439 -0.0674 -0.0745 0.0611 575 HIS A CA 3894 C C . HIS A 529 ? 0.2976 0.3785 0.3435 -0.0737 -0.0758 0.0622 575 HIS A C 3895 O O . HIS A 529 ? 0.3172 0.3961 0.3632 -0.0761 -0.0804 0.0723 575 HIS A O 3896 C CB . HIS A 529 ? 0.2852 0.3780 0.3512 -0.0582 -0.0771 0.0716 575 HIS A CB 3897 C CG . HIS A 529 ? 0.2585 0.3648 0.3359 -0.0519 -0.0752 0.0733 575 HIS A CG 3898 N ND1 . HIS A 529 ? 0.2473 0.3715 0.3308 -0.0578 -0.0807 0.0813 575 HIS A ND1 3899 C CD2 . HIS A 529 ? 0.2470 0.3521 0.3304 -0.0411 -0.0687 0.0688 575 HIS A CD2 3900 C CE1 . HIS A 529 ? 0.2385 0.3735 0.3342 -0.0516 -0.0775 0.0825 575 HIS A CE1 3901 N NE2 . HIS A 529 ? 0.2412 0.3652 0.3367 -0.0407 -0.0693 0.0752 575 HIS A NE2 3902 N N . LYS A 530 ? 0.2693 0.3450 0.3100 -0.0766 -0.0720 0.0534 576 LYS A N 3903 C CA . LYS A 530 ? 0.2632 0.3328 0.2993 -0.0843 -0.0726 0.0554 576 LYS A CA 3904 C C . LYS A 530 ? 0.2872 0.3404 0.3267 -0.0814 -0.0766 0.0617 576 LYS A C 3905 O O . LYS A 530 ? 0.3009 0.3504 0.3380 -0.0881 -0.0795 0.0701 576 LYS A O 3906 C CB . LYS A 530 ? 0.2445 0.3243 0.2722 -0.0940 -0.0730 0.0609 576 LYS A CB 3907 C CG . LYS A 530 ? 0.2271 0.3168 0.2473 -0.0971 -0.0675 0.0528 576 LYS A CG 3908 C CD . LYS A 530 ? 0.2269 0.3232 0.2335 -0.1052 -0.0673 0.0574 576 LYS A CD 3909 C CE . LYS A 530 ? 0.2298 0.3299 0.2323 -0.1059 -0.0734 0.0616 576 LYS A CE 3910 N NZ . LYS A 530 ? 0.2439 0.3470 0.2292 -0.1146 -0.0755 0.0674 576 LYS A NZ 3911 N N . GLY A 531 ? 0.2882 0.3295 0.3315 -0.0709 -0.0762 0.0579 577 GLY A N 3912 C CA . GLY A 531 ? 0.3165 0.3367 0.3599 -0.0664 -0.0793 0.0621 577 GLY A CA 3913 C C . GLY A 531 ? 0.3423 0.3619 0.3909 -0.0605 -0.0821 0.0742 577 GLY A C 3914 O O . GLY A 531 ? 0.3714 0.3711 0.4194 -0.0564 -0.0846 0.0792 577 GLY A O 3915 N N . HIS A 532 ? 0.3346 0.3747 0.3884 -0.0602 -0.0826 0.0797 578 HIS A N 3916 C CA . HIS A 532 ? 0.3338 0.3780 0.3953 -0.0547 -0.0866 0.0931 578 HIS A CA 3917 C C . HIS A 532 ? 0.3040 0.3657 0.3766 -0.0461 -0.0847 0.0945 578 HIS A C 3918 O O . HIS A 532 ? 0.2957 0.3768 0.3725 -0.0512 -0.0890 0.1019 578 HIS A O 3919 C CB . HIS A 532 ? 0.3339 0.3876 0.3903 -0.0668 -0.0923 0.1032 578 HIS A CB 3920 C CG . HIS A 532 ? 0.3485 0.4011 0.4112 -0.0622 -0.0981 0.1188 578 HIS A CG 3921 N ND1 . HIS A 532 ? 0.3664 0.3970 0.4289 -0.0579 -0.0995 0.1250 578 HIS A ND1 3922 C CD2 . HIS A 532 ? 0.3456 0.4161 0.4157 -0.0612 -0.1036 0.1304 578 HIS A CD2 3923 C CE1 . HIS A 532 ? 0.3803 0.4155 0.4500 -0.0530 -0.1049 0.1402 578 HIS A CE1 3924 N NE2 . HIS A 532 ? 0.3653 0.4262 0.4405 -0.0551 -0.1079 0.1440 578 HIS A NE2 3925 N N . PRO A 533 ? 0.2924 0.3476 0.3693 -0.0336 -0.0786 0.0880 579 PRO A N 3926 C CA . PRO A 533 ? 0.2742 0.3485 0.3638 -0.0257 -0.0754 0.0904 579 PRO A CA 3927 C C . PRO A 533 ? 0.2924 0.3781 0.3976 -0.0179 -0.0788 0.1066 579 PRO A C 3928 O O . PRO A 533 ? 0.3115 0.3845 0.4168 -0.0140 -0.0818 0.1146 579 PRO A O 3929 C CB . PRO A 533 ? 0.2566 0.3165 0.3433 -0.0130 -0.0669 0.0802 579 PRO A CB 3930 C CG . PRO A 533 ? 0.2712 0.3019 0.3467 -0.0104 -0.0675 0.0766 579 PRO A CG 3931 C CD . PRO A 533 ? 0.2853 0.3151 0.3540 -0.0269 -0.0744 0.0782 579 PRO A CD 3932 N N . PRO A 534 ? 0.2854 0.3957 0.4057 -0.0155 -0.0787 0.1131 580 PRO A N 3933 C CA . PRO A 534 ? 0.2875 0.4134 0.4276 -0.0065 -0.0818 0.1304 580 PRO A CA 3934 C C . PRO A 534 ? 0.2995 0.4100 0.4459 0.0148 -0.0732 0.1327 580 PRO A C 3935 O O . PRO A 534 ? 0.2995 0.3900 0.4352 0.0228 -0.0646 0.1201 580 PRO A O 3936 C CB . PRO A 534 ? 0.2707 0.4264 0.4261 -0.0096 -0.0824 0.1348 580 PRO A CB 3937 C CG . PRO A 534 ? 0.2608 0.4134 0.4011 -0.0218 -0.0808 0.1197 580 PRO A CG 3938 C CD . PRO A 534 ? 0.2673 0.3919 0.3885 -0.0205 -0.0757 0.1056 580 PRO A CD 3939 N N . SER A 535 ? 0.3244 0.4437 0.4872 0.0247 -0.0758 0.1493 581 SER A N 3940 C CA . SER A 535 ? 0.3923 0.4977 0.5622 0.0479 -0.0663 0.1530 581 SER A CA 3941 C C . SER A 535 ? 0.4110 0.5393 0.5999 0.0615 -0.0565 0.1570 581 SER A C 3942 O O . SER A 535 ? 0.4183 0.5309 0.6050 0.0809 -0.0443 0.1529 581 SER A O 3943 C CB . SER A 535 ? 0.4260 0.5303 0.6070 0.0556 -0.0720 0.1707 581 SER A CB 3944 O OG . SER A 535 ? 0.4347 0.5592 0.6197 0.0382 -0.0856 0.1810 581 SER A OG 3945 N N . GLU A 536 ? 0.4208 0.5849 0.6274 0.0518 -0.0615 0.1654 582 GLU A N 3946 C CA . GLU A 536 ? 0.4416 0.6293 0.6669 0.0619 -0.0520 0.1694 582 GLU A CA 3947 C C . GLU A 536 ? 0.4214 0.5902 0.6266 0.0630 -0.0417 0.1499 582 GLU A C 3948 O O . GLU A 536 ? 0.4013 0.5646 0.5905 0.0455 -0.0469 0.1378 582 GLU A O 3949 C CB . GLU A 536 ? 0.4865 0.7133 0.7320 0.0464 -0.0616 0.1810 582 GLU A CB 3950 C CG . GLU A 536 ? 0.5656 0.8167 0.8325 0.0557 -0.0510 0.1891 582 GLU A CG 3951 C CD . GLU A 536 ? 0.6550 0.9093 0.9376 0.0756 -0.0435 0.2021 582 GLU A CD 3952 O OE1 . GLU A 536 ? 0.7089 0.9557 0.9910 0.0761 -0.0510 0.2090 582 GLU A OE1 3953 O OE2 . GLU A 536 ? 0.6716 0.9354 0.9661 0.0914 -0.0291 0.2055 582 GLU A OE2 3954 N N . PRO A 537 ? 0.4152 0.5720 0.6185 0.0838 -0.0273 0.1463 583 PRO A N 3955 C CA . PRO A 537 ? 0.3977 0.5364 0.5797 0.0846 -0.0187 0.1284 583 PRO A CA 3956 C C . PRO A 537 ? 0.3660 0.5321 0.5569 0.0724 -0.0189 0.1283 583 PRO A C 3957 O O . PRO A 537 ? 0.3643 0.5645 0.5817 0.0717 -0.0196 0.1434 583 PRO A O 3958 C CB . PRO A 537 ? 0.4167 0.5416 0.5968 0.1114 -0.0027 0.1285 583 PRO A CB 3959 C CG . PRO A 537 ? 0.4246 0.5747 0.6350 0.1245 -0.0009 0.1498 583 PRO A CG 3960 C CD . PRO A 537 ? 0.4210 0.5785 0.6391 0.1086 -0.0176 0.1585 583 PRO A CD 3961 N N . CYS A 538 ? 0.3394 0.4900 0.5086 0.0618 -0.0194 0.1119 584 CYS A N 3962 C CA . CYS A 538 ? 0.3204 0.4888 0.4926 0.0510 -0.0188 0.1092 584 CYS A CA 3963 C C . CYS A 538 ? 0.3390 0.5050 0.5078 0.0672 -0.0035 0.1057 584 CYS A C 3964 O O . CYS A 538 ? 0.3588 0.4983 0.5029 0.0713 0.0013 0.0908 584 CYS A O 3965 C CB . CYS A 538 ? 0.3123 0.4652 0.4632 0.0330 -0.0267 0.0946 584 CYS A CB 3966 S SG . CYS A 538 ? 0.2927 0.4579 0.4410 0.0201 -0.0260 0.0885 584 CYS A SG 3967 N N . GLY A 539 ? 0.3363 0.5311 0.5298 0.0761 0.0040 0.1204 585 GLY A N 3968 C CA . GLY A 539 ? 0.3542 0.5501 0.5458 0.0931 0.0205 0.1199 585 GLY A CA 3969 C C . GLY A 539 ? 0.3615 0.5660 0.5486 0.0825 0.0225 0.1149 585 GLY A C 3970 O O . GLY A 539 ? 0.3645 0.5609 0.5392 0.0644 0.0126 0.1052 585 GLY A O 3971 N N . THR A 540 ? 0.3681 0.5890 0.5653 0.0951 0.0367 0.1226 586 THR A N 3972 C CA . THR A 540 ? 0.3412 0.5671 0.5318 0.0878 0.0407 0.1187 586 THR A CA 3973 C C . THR A 540 ? 0.3223 0.5692 0.5286 0.0637 0.0279 0.1246 586 THR A C 3974 O O . THR A 540 ? 0.3281 0.5602 0.5161 0.0504 0.0218 0.1125 586 THR A O 3975 C CB . THR A 540 ? 0.3280 0.5706 0.5286 0.1064 0.0595 0.1289 586 THR A CB 3976 O OG1 . THR A 540 ? 0.3537 0.5719 0.5349 0.1299 0.0719 0.1221 586 THR A OG1 3977 C CG2 . THR A 540 ? 0.3114 0.5544 0.5008 0.0998 0.0642 0.1244 586 THR A CG2 3978 N N . PRO A 541 ? 0.3029 0.5826 0.5413 0.0571 0.0227 0.1427 587 PRO A N 3979 C CA . PRO A 541 ? 0.2790 0.5724 0.5265 0.0324 0.0088 0.1462 587 PRO A CA 3980 C C . PRO A 541 ? 0.2795 0.5498 0.5060 0.0171 -0.0058 0.1324 587 PRO A C 3981 O O . PRO A 541 ? 0.2867 0.5494 0.5017 0.0010 -0.0125 0.1248 587 PRO A O 3982 C CB . PRO A 541 ? 0.2813 0.5928 0.5484 0.0277 0.0042 0.1623 587 PRO A CB 3983 C CG . PRO A 541 ? 0.3008 0.6207 0.5782 0.0506 0.0202 0.1710 587 PRO A CG 3984 C CD . PRO A 541 ? 0.3088 0.6089 0.5711 0.0697 0.0285 0.1594 587 PRO A CD 3985 N N . CYS A 542 ? 0.2770 0.5357 0.4984 0.0224 -0.0101 0.1299 588 CYS A N 3986 C CA . CYS A 542 ? 0.2570 0.4952 0.4587 0.0088 -0.0224 0.1182 588 CYS A CA 3987 C C . CYS A 542 ? 0.2735 0.4841 0.4467 0.0079 -0.0188 0.0995 588 CYS A C 3988 O O . CYS A 542 ? 0.2760 0.4784 0.4369 -0.0073 -0.0265 0.0913 588 CYS A O 3989 C CB . CYS A 542 ? 0.2520 0.4824 0.4539 0.0163 -0.0260 0.1207 588 CYS A CB 3990 S SG . CYS A 542 ? 0.2638 0.4670 0.4398 0.0036 -0.0372 0.1067 588 CYS A SG 3991 N N . ARG A 543 ? 0.2909 0.4870 0.4527 0.0244 -0.0072 0.0929 589 ARG A N 3992 C CA . ARG A 543 ? 0.3044 0.4767 0.4404 0.0232 -0.0053 0.0766 589 ARG A CA 3993 C C . ARG A 543 ? 0.2756 0.4554 0.4111 0.0129 -0.0050 0.0756 589 ARG A C 3994 O O . ARG A 543 ? 0.2478 0.4155 0.3692 0.0017 -0.0110 0.0656 589 ARG A O 3995 C CB . ARG A 543 ? 0.3466 0.5019 0.4686 0.0423 0.0063 0.0707 589 ARG A CB 3996 C CG . ARG A 543 ? 0.3729 0.5051 0.4686 0.0412 0.0069 0.0552 589 ARG A CG 3997 C CD . ARG A 543 ? 0.4250 0.5519 0.5110 0.0575 0.0200 0.0540 589 ARG A CD 3998 N NE . ARG A 543 ? 0.5012 0.6000 0.5653 0.0700 0.0228 0.0441 589 ARG A NE 3999 C CZ . ARG A 543 ? 0.5808 0.6685 0.6304 0.0872 0.0349 0.0418 589 ARG A CZ 4000 N NH1 . ARG A 543 ? 0.6250 0.6822 0.6510 0.0967 0.0355 0.0315 589 ARG A NH1 4001 N NH2 . ARG A 543 ? 0.5908 0.6969 0.6484 0.0943 0.0461 0.0501 589 ARG A NH2 4002 N N . LEU A 544 ? 0.2698 0.4698 0.4215 0.0169 0.0025 0.0868 590 LEU A N 4003 C CA . LEU A 544 ? 0.2561 0.4605 0.4065 0.0074 0.0032 0.0867 590 LEU A CA 4004 C C . LEU A 544 ? 0.2229 0.4297 0.3760 -0.0133 -0.0101 0.0867 590 LEU A C 4005 O O . LEU A 544 ? 0.2230 0.4174 0.3622 -0.0221 -0.0127 0.0783 590 LEU A O 4006 C CB . LEU A 544 ? 0.2702 0.4984 0.4403 0.0142 0.0136 0.1016 590 LEU A CB 4007 C CG . LEU A 544 ? 0.2974 0.5185 0.4566 0.0352 0.0294 0.0993 590 LEU A CG 4008 C CD1 . LEU A 544 ? 0.2958 0.5436 0.4757 0.0422 0.0417 0.1158 590 LEU A CD1 4009 C CD2 . LEU A 544 ? 0.2987 0.4931 0.4274 0.0363 0.0308 0.0832 590 LEU A CD2 4010 N N . ALA A 545 ? 0.1916 0.4125 0.3603 -0.0207 -0.0189 0.0957 591 ALA A N 4011 C CA . ALA A 545 ? 0.1826 0.4022 0.3485 -0.0403 -0.0321 0.0945 591 ALA A CA 4012 C C . ALA A 545 ? 0.1940 0.3883 0.3347 -0.0440 -0.0365 0.0785 591 ALA A C 4013 O O . ALA A 545 ? 0.2039 0.3872 0.3317 -0.0556 -0.0411 0.0712 591 ALA A O 4014 C CB . ALA A 545 ? 0.1675 0.4068 0.3527 -0.0467 -0.0414 0.1080 591 ALA A CB 4015 N N . THR A 546 ? 0.1845 0.3688 0.3180 -0.0339 -0.0344 0.0732 592 THR A N 4016 C CA . THR A 546 ? 0.1915 0.3549 0.3042 -0.0371 -0.0375 0.0598 592 THR A CA 4017 C C . THR A 546 ? 0.2020 0.3517 0.2998 -0.0349 -0.0319 0.0490 592 THR A C 4018 O O . THR A 546 ? 0.2047 0.3441 0.2899 -0.0433 -0.0354 0.0410 592 THR A O 4019 C CB . THR A 546 ? 0.1914 0.3462 0.3008 -0.0274 -0.0365 0.0579 592 THR A CB 4020 O OG1 . THR A 546 ? 0.2018 0.3694 0.3255 -0.0288 -0.0421 0.0693 592 THR A OG1 4021 C CG2 . THR A 546 ? 0.1751 0.3118 0.2662 -0.0323 -0.0399 0.0461 592 THR A CG2 4022 N N . LEU A 547 ? 0.2062 0.3556 0.3044 -0.0227 -0.0228 0.0491 593 LEU A N 4023 C CA . LEU A 547 ? 0.1942 0.3318 0.2781 -0.0205 -0.0185 0.0404 593 LEU A CA 4024 C C . LEU A 547 ? 0.1916 0.3326 0.2771 -0.0312 -0.0203 0.0424 593 LEU A C 4025 O O . LEU A 547 ? 0.1856 0.3145 0.2584 -0.0347 -0.0212 0.0342 593 LEU A O 4026 C CB . LEU A 547 ? 0.1861 0.3224 0.2671 -0.0055 -0.0085 0.0411 593 LEU A CB 4027 C CG . LEU A 547 ? 0.1741 0.2995 0.2479 0.0060 -0.0066 0.0369 593 LEU A CG 4028 C CD1 . LEU A 547 ? 0.1646 0.2852 0.2308 0.0219 0.0040 0.0369 593 LEU A CD1 4029 C CD2 . LEU A 547 ? 0.1704 0.2783 0.2287 0.0014 -0.0131 0.0252 593 LEU A CD2 4030 N N . CYS A 548 ? 0.1972 0.3543 0.2990 -0.0368 -0.0213 0.0539 594 CYS A N 4031 C CA . CYS A 548 ? 0.2030 0.3596 0.3049 -0.0485 -0.0240 0.0561 594 CYS A CA 4032 C C . CYS A 548 ? 0.2009 0.3443 0.2903 -0.0610 -0.0328 0.0482 594 CYS A C 4033 O O . CYS A 548 ? 0.2157 0.3466 0.2945 -0.0665 -0.0332 0.0433 594 CYS A O 4034 C CB . CYS A 548 ? 0.1993 0.3774 0.3232 -0.0542 -0.0249 0.0715 594 CYS A CB 4035 S SG . CYS A 548 ? 0.2111 0.3857 0.3354 -0.0729 -0.0315 0.0753 594 CYS A SG 4036 N N . ALA A 549 ? 0.1815 0.3258 0.2699 -0.0644 -0.0391 0.0471 595 ALA A N 4037 C CA . ALA A 549 ? 0.1768 0.3079 0.2500 -0.0748 -0.0458 0.0394 595 ALA A CA 4038 C C . ALA A 549 ? 0.1857 0.3003 0.2423 -0.0691 -0.0410 0.0272 595 ALA A C 4039 O O . ALA A 549 ? 0.2075 0.3090 0.2507 -0.0752 -0.0424 0.0208 595 ALA A O 4040 C CB . ALA A 549 ? 0.1560 0.2926 0.2309 -0.0786 -0.0527 0.0420 595 ALA A CB 4041 N N . GLN A 550 ? 0.1666 0.2811 0.2236 -0.0574 -0.0357 0.0242 596 GLN A N 4042 C CA . GLN A 550 ? 0.1837 0.2865 0.2284 -0.0526 -0.0327 0.0144 596 GLN A CA 4043 C C . GLN A 550 ? 0.2050 0.3003 0.2441 -0.0517 -0.0290 0.0121 596 GLN A C 4044 O O . GLN A 550 ? 0.2161 0.3019 0.2453 -0.0503 -0.0276 0.0052 596 GLN A O 4045 C CB . GLN A 550 ? 0.1746 0.2775 0.2200 -0.0419 -0.0297 0.0124 596 GLN A CB 4046 C CG . GLN A 550 ? 0.1759 0.2830 0.2268 -0.0410 -0.0327 0.0155 596 GLN A CG 4047 C CD . GLN A 550 ? 0.1774 0.2841 0.2255 -0.0506 -0.0385 0.0151 596 GLN A CD 4048 O OE1 . GLN A 550 ? 0.1892 0.2893 0.2283 -0.0532 -0.0389 0.0088 596 GLN A OE1 4049 N NE2 . GLN A 550 ? 0.1434 0.2586 0.1992 -0.0559 -0.0429 0.0229 596 GLN A NE2 4050 N N . LEU A 551 ? 0.2023 0.3027 0.2486 -0.0518 -0.0267 0.0190 597 LEU A N 4051 C CA . LEU A 551 ? 0.2138 0.3057 0.2546 -0.0513 -0.0233 0.0185 597 LEU A CA 4052 C C . LEU A 551 ? 0.2374 0.3216 0.2754 -0.0637 -0.0275 0.0202 597 LEU A C 4053 O O . LEU A 551 ? 0.2683 0.3424 0.3014 -0.0646 -0.0252 0.0205 597 LEU A O 4054 C CB . LEU A 551 ? 0.1899 0.2902 0.2381 -0.0439 -0.0173 0.0257 597 LEU A CB 4055 C CG . LEU A 551 ? 0.1622 0.2663 0.2089 -0.0313 -0.0131 0.0238 597 LEU A CG 4056 C CD1 . LEU A 551 ? 0.1638 0.2763 0.2160 -0.0245 -0.0059 0.0322 597 LEU A CD1 4057 C CD2 . LEU A 551 ? 0.1440 0.2370 0.1775 -0.0254 -0.0131 0.0146 597 LEU A CD2 4058 N N . SER A 552 ? 0.2264 0.3127 0.2652 -0.0736 -0.0342 0.0211 598 SER A N 4059 C CA . SER A 552 ? 0.2389 0.3167 0.2733 -0.0875 -0.0403 0.0232 598 SER A CA 4060 C C . SER A 552 ? 0.2602 0.3183 0.2739 -0.0915 -0.0425 0.0126 598 SER A C 4061 O O . SER A 552 ? 0.2934 0.3498 0.3004 -0.0999 -0.0490 0.0112 598 SER A O 4062 C CB . SER A 552 ? 0.2364 0.3310 0.2852 -0.0970 -0.0477 0.0333 598 SER A CB 4063 O OG . SER A 552 ? 0.2340 0.3476 0.3029 -0.0922 -0.0437 0.0445 598 SER A OG 4064 N N . ALA A 553 ? 0.2459 0.2892 0.2486 -0.0842 -0.0365 0.0056 599 ALA A N 4065 C CA . ALA A 553 ? 0.2613 0.2849 0.2439 -0.0857 -0.0361 -0.0039 599 ALA A CA 4066 C C . ALA A 553 ? 0.3088 0.3113 0.2779 -0.0976 -0.0408 -0.0049 599 ALA A C 4067 O O . ALA A 553 ? 0.3419 0.3249 0.2901 -0.1009 -0.0415 -0.0129 599 ALA A O 4068 C CB . ALA A 553 ? 0.2467 0.2641 0.2247 -0.0723 -0.0277 -0.0098 599 ALA A CB 4069 N N . ARG A 554 ? 0.3103 0.3153 0.2896 -0.1043 -0.0438 0.0035 600 ARG A N 4070 C CA . ARG A 554 ? 0.3567 0.3417 0.3253 -0.1188 -0.0506 0.0045 600 ARG A CA 4071 C C . ARG A 554 ? 0.3625 0.3652 0.3454 -0.1334 -0.0611 0.0147 600 ARG A C 4072 O O . ARG A 554 ? 0.3321 0.3607 0.3391 -0.1308 -0.0599 0.0255 600 ARG A O 4073 C CB . ARG A 554 ? 0.3661 0.3390 0.3363 -0.1164 -0.0462 0.0080 600 ARG A CB 4074 C CG . ARG A 554 ? 0.4163 0.3588 0.3689 -0.1303 -0.0525 0.0060 600 ARG A CG 4075 C CD . ARG A 554 ? 0.4370 0.3621 0.3872 -0.1254 -0.0467 0.0081 600 ARG A CD 4076 N NE . ARG A 554 ? 0.4248 0.3721 0.3990 -0.1265 -0.0453 0.0221 600 ARG A NE 4077 C CZ . ARG A 554 ? 0.4295 0.3686 0.4059 -0.1216 -0.0397 0.0274 600 ARG A CZ 4078 N NH1 . ARG A 554 ? 0.4522 0.3610 0.4094 -0.1148 -0.0356 0.0199 600 ARG A NH1 4079 N NH2 . ARG A 554 ? 0.4015 0.3627 0.3988 -0.1227 -0.0376 0.0410 600 ARG A NH2 4080 N N . ALA A 555 ? 0.4000 0.3888 0.3673 -0.1481 -0.0713 0.0118 601 ALA A N 4081 C CA . ALA A 555 ? 0.4144 0.4190 0.3943 -0.1593 -0.0814 0.0224 601 ALA A CA 4082 C C . ALA A 555 ? 0.4148 0.4255 0.4120 -0.1657 -0.0831 0.0342 601 ALA A C 4083 O O . ALA A 555 ? 0.3995 0.3896 0.3889 -0.1700 -0.0814 0.0323 601 ALA A O 4084 C CB . ALA A 555 ? 0.4540 0.4369 0.4082 -0.1674 -0.0890 0.0160 601 ALA A CB 4085 N N . ASP A 556 ? 0.4248 0.4637 0.4455 -0.1659 -0.0859 0.0472 602 ASP A N 4086 C CA . ASP A 556 ? 0.4540 0.5041 0.4932 -0.1725 -0.0882 0.0607 602 ASP A CA 4087 C C . ASP A 556 ? 0.4132 0.4613 0.4607 -0.1701 -0.0798 0.0640 602 ASP A C 4088 O O . ASP A 556 ? 0.3912 0.4264 0.4372 -0.1789 -0.0820 0.0683 602 ASP A O 4089 C CB . ASP A 556 ? 0.5557 0.5858 0.5796 -0.1874 -0.0994 0.0604 602 ASP A CB 4090 C CG . ASP A 556 ? 0.6452 0.6776 0.6598 -0.1907 -0.1079 0.0590 602 ASP A CG 4091 O OD1 . ASP A 556 ? 0.6552 0.7160 0.6894 -0.1855 -0.1081 0.0681 602 ASP A OD1 4092 O OD2 . ASP A 556 ? 0.7085 0.7129 0.6948 -0.1981 -0.1138 0.0490 602 ASP A OD2 4093 N N . SER A 557 ? 0.4074 0.4680 0.4631 -0.1583 -0.0703 0.0628 603 SER A N 4094 C CA . SER A 557 ? 0.4035 0.4643 0.4652 -0.1495 -0.0594 0.0664 603 SER A CA 4095 C C . SER A 557 ? 0.3798 0.4745 0.4654 -0.1362 -0.0508 0.0760 603 SER A C 4096 O O . SER A 557 ? 0.3544 0.4515 0.4352 -0.1191 -0.0424 0.0689 603 SER A O 4097 C CB . SER A 557 ? 0.4103 0.4450 0.4480 -0.1363 -0.0521 0.0513 603 SER A CB 4098 O OG . SER A 557 ? 0.4506 0.4527 0.4639 -0.1460 -0.0586 0.0413 603 SER A OG 4099 N N . PRO A 558 ? 0.3908 0.5109 0.5010 -0.1425 -0.0523 0.0921 604 PRO A N 4100 C CA . PRO A 558 ? 0.3809 0.5328 0.5134 -0.1286 -0.0426 0.1020 604 PRO A CA 4101 C C . PRO A 558 ? 0.3930 0.5425 0.5209 -0.1121 -0.0282 0.1010 604 PRO A C 4102 O O . PRO A 558 ? 0.3791 0.5431 0.5120 -0.0958 -0.0193 0.1011 604 PRO A O 4103 C CB . PRO A 558 ? 0.3734 0.5423 0.5240 -0.1334 -0.0456 0.1163 604 PRO A CB 4104 C CG . PRO A 558 ? 0.3902 0.5363 0.5300 -0.1493 -0.0531 0.1161 604 PRO A CG 4105 C CD . PRO A 558 ? 0.4035 0.5181 0.5161 -0.1554 -0.0601 0.0995 604 PRO A CD 4106 N N . ALA A 559 ? 0.3657 0.4947 0.4816 -0.1154 -0.0262 0.0997 605 ALA A N 4107 C CA . ALA A 559 ? 0.3559 0.4820 0.4650 -0.0997 -0.0137 0.0993 605 ALA A CA 4108 C C . ALA A 559 ? 0.3404 0.4580 0.4328 -0.0830 -0.0096 0.0844 605 ALA A C 4109 O O . ALA A 559 ? 0.3424 0.4644 0.4310 -0.0681 0.0000 0.0845 605 ALA A O 4110 C CB . ALA A 559 ? 0.2252 0.3268 0.3220 -0.1063 -0.0139 0.0999 605 ALA A CB 4111 N N . LEU A 560 ? 0.2992 0.4041 0.3804 -0.0859 -0.0171 0.0720 606 LEU A N 4112 C CA . LEU A 560 ? 0.2725 0.3713 0.3408 -0.0724 -0.0143 0.0593 606 LEU A CA 4113 C C . LEU A 560 ? 0.2580 0.3772 0.3361 -0.0605 -0.0088 0.0622 606 LEU A C 4114 O O . LEU A 560 ? 0.2309 0.3461 0.2988 -0.0477 -0.0045 0.0546 606 LEU A O 4115 C CB . LEU A 560 ? 0.2587 0.3446 0.3162 -0.0788 -0.0224 0.0483 606 LEU A CB 4116 C CG . LEU A 560 ? 0.2483 0.3072 0.2889 -0.0865 -0.0261 0.0415 606 LEU A CG 4117 C CD1 . LEU A 560 ? 0.2238 0.2728 0.2536 -0.0938 -0.0335 0.0324 606 LEU A CD1 4118 C CD2 . LEU A 560 ? 0.2280 0.2733 0.2561 -0.0738 -0.0194 0.0350 606 LEU A CD2 4119 N N . CYS A 561 ? 0.2580 0.3986 0.3557 -0.0644 -0.0093 0.0735 607 CYS A N 4120 C CA . CYS A 561 ? 0.2414 0.3996 0.3486 -0.0519 -0.0034 0.0769 607 CYS A CA 4121 C C . CYS A 561 ? 0.2386 0.4131 0.3568 -0.0437 0.0079 0.0895 607 CYS A C 4122 O O . CYS A 561 ? 0.2409 0.4332 0.3712 -0.0342 0.0140 0.0960 607 CYS A O 4123 C CB . CYS A 561 ? 0.2341 0.4065 0.3561 -0.0589 -0.0110 0.0813 607 CYS A CB 4124 S SG . CYS A 561 ? 0.2307 0.3839 0.3358 -0.0663 -0.0221 0.0664 607 CYS A SG 4125 N N . ARG A 562 ? 0.2391 0.4070 0.3523 -0.0459 0.0120 0.0934 608 ARG A N 4126 C CA . ARG A 562 ? 0.2410 0.4255 0.3643 -0.0391 0.0237 0.1073 608 ARG A CA 4127 C C . ARG A 562 ? 0.2714 0.4582 0.3844 -0.0186 0.0348 0.1035 608 ARG A C 4128 O O . ARG A 562 ? 0.2768 0.4831 0.4015 -0.0097 0.0456 0.1149 608 ARG A O 4129 C CB . ARG A 562 ? 0.2323 0.4051 0.3482 -0.0452 0.0255 0.1116 608 ARG A CB 4130 C CG . ARG A 562 ? 0.2407 0.3885 0.3299 -0.0370 0.0263 0.0986 608 ARG A CG 4131 C CD . ARG A 562 ? 0.2564 0.3869 0.3388 -0.0466 0.0235 0.1013 608 ARG A CD 4132 N NE . ARG A 562 ? 0.2930 0.4028 0.3526 -0.0373 0.0240 0.0906 608 ARG A NE 4133 C CZ . ARG A 562 ? 0.3112 0.4031 0.3590 -0.0382 0.0165 0.0770 608 ARG A CZ 4134 N NH1 . ARG A 562 ? 0.3130 0.4023 0.3658 -0.0480 0.0083 0.0713 608 ARG A NH1 4135 N NH2 . ARG A 562 ? 0.3209 0.3988 0.3518 -0.0290 0.0173 0.0701 608 ARG A NH2 4136 N N . HIS A 563 ? 0.3000 0.4672 0.3908 -0.0110 0.0324 0.0879 609 HIS A N 4137 C CA . HIS A 563 ? 0.3374 0.5009 0.4132 0.0067 0.0406 0.0822 609 HIS A CA 4138 C C . HIS A 563 ? 0.3763 0.5453 0.4579 0.0134 0.0400 0.0789 609 HIS A C 4139 O O . HIS A 563 ? 0.3910 0.5526 0.4580 0.0278 0.0459 0.0729 609 HIS A O 4140 C CB . HIS A 563 ? 0.3338 0.4742 0.3839 0.0104 0.0367 0.0685 609 HIS A CB 4141 C CG . HIS A 563 ? 0.3582 0.4918 0.3997 0.0084 0.0392 0.0727 609 HIS A CG 4142 N ND1 . HIS A 563 ? 0.3686 0.4857 0.3998 0.0027 0.0316 0.0655 609 HIS A ND1 4143 C CD2 . HIS A 563 ? 0.3764 0.5178 0.4185 0.0121 0.0491 0.0846 609 HIS A CD2 4144 C CE1 . HIS A 563 ? 0.3781 0.4915 0.4037 0.0029 0.0359 0.0726 609 HIS A CE1 4145 N NE2 . HIS A 563 ? 0.3882 0.5161 0.4198 0.0079 0.0464 0.0843 609 HIS A NE2 4146 N N . LEU A 564 ? 0.4091 0.5888 0.5097 0.0031 0.0324 0.0828 610 LEU A N 4147 C CA . LEU A 564 ? 0.4525 0.6392 0.5614 0.0095 0.0319 0.0826 610 LEU A CA 4148 C C . LEU A 564 ? 0.5385 0.7532 0.6743 0.0125 0.0387 0.0999 610 LEU A C 4149 O O . LEU A 564 ? 0.5712 0.7925 0.7134 0.0237 0.0426 0.1020 610 LEU A O 4150 C CB . LEU A 564 ? 0.4133 0.5932 0.5236 -0.0026 0.0182 0.0755 610 LEU A CB 4151 C CG . LEU A 564 ? 0.3916 0.5474 0.4787 -0.0025 0.0126 0.0591 610 LEU A CG 4152 C CD1 . LEU A 564 ? 0.3729 0.5248 0.4622 -0.0149 0.0010 0.0543 610 LEU A CD1 4153 C CD2 . LEU A 564 ? 0.3843 0.5293 0.4567 0.0127 0.0176 0.0514 610 LEU A CD2 4154 N N . MET A 565 ? 0.5878 0.8195 0.7409 0.0027 0.0398 0.1134 611 MET A N 4155 C CA . MET A 565 ? 0.6496 0.9130 0.8330 0.0043 0.0458 0.1324 611 MET A CA 4156 C C . MET A 565 ? 0.6306 0.9076 0.8233 0.0007 0.0542 0.1460 611 MET A C 4157 O O . MET A 565 ? 0.6162 0.8950 0.8174 -0.0179 0.0455 0.1513 611 MET A O 4158 C CB . MET A 565 ? 0.7307 1.0082 0.9364 -0.0122 0.0314 0.1391 611 MET A CB 4159 C CG . MET A 565 ? 0.7918 1.0485 0.9821 -0.0179 0.0183 0.1236 611 MET A CG 4160 S SD . MET A 565 ? 0.8076 1.0819 1.0206 -0.0313 0.0034 0.1321 611 MET A SD 4161 C CE . MET A 565 ? 0.7976 1.0410 0.9840 -0.0459 -0.0112 0.1134 611 MET A CE # 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 LEU 1 47 ? ? ? A . n A 1 2 SER 2 48 ? ? ? A . n A 1 3 ASP 3 49 ? ? ? A . n A 1 4 SER 4 50 ? ? ? A . n A 1 5 ARG 5 51 ? ? ? A . n A 1 6 VAL 6 52 ? ? ? A . n A 1 7 LEU 7 53 ? ? ? A . n A 1 8 TRP 8 54 ? ? ? A . n A 1 9 ALA 9 55 ? ? ? A . n A 1 10 PRO 10 56 ? ? ? A . n A 1 11 ALA 11 57 ? ? ? A . n A 1 12 GLU 12 58 ? ? ? A . n A 1 13 ALA 13 59 ? ? ? A . n A 1 14 HIS 14 60 ? ? ? A . n A 1 15 PRO 15 61 ? ? ? A . n A 1 16 LEU 16 62 ? ? ? A . n A 1 17 SER 17 63 ? ? ? A . n A 1 18 PRO 18 64 ? ? ? A . n A 1 19 GLN 19 65 ? ? ? A . n A 1 20 GLY 20 66 ? ? ? A . n A 1 21 HIS 21 67 ? ? ? A . n A 1 22 PRO 22 68 ? ? ? A . n A 1 23 ALA 23 69 ? ? ? A . n A 1 24 ARG 24 70 ? ? ? A . n A 1 25 LEU 25 71 ? ? ? A . n A 1 26 HIS 26 72 ? ? ? A . n A 1 27 ARG 27 73 ? ? ? A . n A 1 28 ILE 28 74 ? ? ? A . n A 1 29 VAL 29 75 ? ? ? A . n A 1 30 PRO 30 76 ? ? ? A . n A 1 31 ARG 31 77 ? ? ? A . n A 1 32 LEU 32 78 ? ? ? A . n A 1 33 ARG 33 79 ? ? ? A . n A 1 34 ASP 34 80 ? ? ? A . n A 1 35 VAL 35 81 ? ? ? A . n A 1 36 PHE 36 82 ? ? ? A . n A 1 37 GLY 37 83 ? ? ? A . n A 1 38 TRP 38 84 84 TRP TRP A . n A 1 39 GLY 39 85 85 GLY GLY A . n A 1 40 ASN 40 86 86 ASN ASN A . n A 1 41 LEU 41 87 87 LEU LEU A . n A 1 42 THR 42 88 88 THR THR A . n A 1 43 CYS 43 89 89 CYS CYS A . n A 1 44 PRO 44 90 90 PRO PRO A . n A 1 45 ILE 45 91 91 ILE ILE A . n A 1 46 CYS 46 92 92 CYS CYS A . n A 1 47 LYS 47 93 93 LYS LYS A . n A 1 48 GLY 48 94 94 GLY GLY A . n A 1 49 LEU 49 95 95 LEU LEU A . n A 1 50 PHE 50 96 96 PHE PHE A . n A 1 51 THR 51 97 97 THR THR A . n A 1 52 ALA 52 98 98 ALA ALA A . n A 1 53 ILE 53 99 99 ILE ILE A . n A 1 54 ASN 54 100 100 ASN ASN A . n A 1 55 LEU 55 101 101 LEU LEU A . n A 1 56 GLY 56 102 102 GLY GLY A . n A 1 57 LEU 57 103 103 LEU LEU A . n A 1 58 LYS 58 104 104 LYS LYS A . n A 1 59 LYS 59 105 105 LYS LYS A . n A 1 60 GLU 60 106 106 GLU GLU A . n A 1 61 PRO 61 107 107 PRO PRO A . n A 1 62 ASN 62 108 108 ASN ASN A . n A 1 63 VAL 63 109 109 VAL VAL A . n A 1 64 ALA 64 110 110 ALA ALA A . n A 1 65 ARG 65 111 111 ARG ARG A . n A 1 66 VAL 66 112 112 VAL VAL A . n A 1 67 GLY 67 113 113 GLY GLY A . n A 1 68 SER 68 114 114 SER SER A . n A 1 69 VAL 69 115 115 VAL VAL A . n A 1 70 ALA 70 116 116 ALA ALA A . n A 1 71 ILE 71 117 117 ILE ILE A . n A 1 72 LYS 72 118 118 LYS LYS A . n A 1 73 LEU 73 119 119 LEU LEU A . n A 1 74 CYS 74 120 120 CYS CYS A . n A 1 75 ASN 75 121 121 ASN ASN A . n A 1 76 LEU 76 122 122 LEU LEU A . n A 1 77 LEU 77 123 123 LEU LEU A . n A 1 78 LYS 78 124 124 LYS LYS A . n A 1 79 ILE 79 125 125 ILE ILE A . n A 1 80 ALA 80 126 126 ALA ALA A . n A 1 81 PRO 81 127 127 PRO PRO A . n A 1 82 PRO 82 128 128 PRO PRO A . n A 1 83 ALA 83 129 129 ALA ALA A . n A 1 84 VAL 84 130 130 VAL VAL A . n A 1 85 CYS 85 131 131 CYS CYS A . n A 1 86 GLN 86 132 132 GLN GLN A . n A 1 87 SER 87 133 133 SER SER A . n A 1 88 ILE 88 134 134 ILE ILE A . n A 1 89 VAL 89 135 135 VAL VAL A . n A 1 90 HIS 90 136 136 HIS HIS A . n A 1 91 LEU 91 137 137 LEU LEU A . n A 1 92 PHE 92 138 138 PHE PHE A . n A 1 93 GLU 93 139 139 GLU GLU A . n A 1 94 ASP 94 140 140 ASP ASP A . n A 1 95 ASP 95 141 141 ASP ASP A . n A 1 96 MET 96 142 142 MET MET A . n A 1 97 VAL 97 143 143 VAL VAL A . n A 1 98 GLU 98 144 144 GLU GLU A . n A 1 99 VAL 99 145 145 VAL VAL A . n A 1 100 TRP 100 146 146 TRP TRP A . n A 1 101 ARG 101 147 147 ARG ARG A . n A 1 102 ARG 102 148 148 ARG ARG A . n A 1 103 SER 103 149 149 SER SER A . n A 1 104 VAL 104 150 150 VAL VAL A . n A 1 105 LEU 105 151 151 LEU LEU A . n A 1 106 SER 106 152 152 SER SER A . n A 1 107 PRO 107 153 153 PRO PRO A . n A 1 108 SER 108 154 154 SER SER A . n A 1 109 GLU 109 155 155 GLU GLU A . n A 1 110 ALA 110 156 156 ALA ALA A . n A 1 111 CYS 111 157 157 CYS CYS A . n A 1 112 GLY 112 158 158 GLY GLY A . n A 1 113 LEU 113 159 159 LEU LEU A . n A 1 114 LEU 114 160 160 LEU LEU A . n A 1 115 LEU 115 161 161 LEU LEU A . n A 1 116 GLY 116 162 162 GLY GLY A . n A 1 117 SER 117 163 163 SER SER A . n A 1 118 THR 118 164 164 THR THR A . n A 1 119 CYS 119 165 165 CYS CYS A . n A 1 120 GLY 120 166 166 GLY GLY A . n A 1 121 HIS 121 167 167 HIS HIS A . n A 1 122 TRP 122 168 168 TRP TRP A . n A 1 123 ASP 123 169 169 ASP ASP A . n A 1 124 ILE 124 170 170 ILE ILE A . n A 1 125 PHE 125 171 171 PHE PHE A . n A 1 126 SER 126 172 172 SER SER A . n A 1 127 SER 127 173 173 SER SER A . n A 1 128 TRP 128 174 174 TRP TRP A . n A 1 129 ASN 129 175 175 ASN ASN A . n A 1 130 ILE 130 176 176 ILE ILE A . n A 1 131 SER 131 177 177 SER SER A . n A 1 132 LEU 132 178 178 LEU LEU A . n A 1 133 PRO 133 179 179 PRO PRO A . n A 1 134 THR 134 180 180 THR THR A . n A 1 135 VAL 135 181 181 VAL VAL A . n A 1 136 PRO 136 182 182 PRO PRO A . n A 1 137 LYS 137 183 183 LYS LYS A . n A 1 138 PRO 138 184 184 PRO PRO A . n A 1 139 PRO 139 185 185 PRO PRO A . n A 1 140 PRO 140 186 186 PRO PRO A . n A 1 141 LYS 141 187 187 LYS LYS A . n A 1 142 PRO 142 188 188 PRO PRO A . n A 1 143 PRO 143 189 189 PRO PRO A . n A 1 144 SER 144 190 190 SER SER A . n A 1 145 PRO 145 191 191 PRO PRO A . n A 1 146 PRO 146 192 192 PRO PRO A . n A 1 147 ALA 147 193 193 ALA ALA A . n A 1 148 PRO 148 194 194 PRO PRO A . n A 1 149 GLY 149 195 195 GLY GLY A . n A 1 150 ALA 150 196 196 ALA ALA A . n A 1 151 PRO 151 197 197 PRO PRO A . n A 1 152 VAL 152 198 198 VAL VAL A . n A 1 153 SER 153 199 199 SER SER A . n A 1 154 ARG 154 200 200 ARG ARG A . n A 1 155 ILE 155 201 201 ILE ILE A . n A 1 156 LEU 156 202 202 LEU LEU A . n A 1 157 PHE 157 203 203 PHE PHE A . n A 1 158 LEU 158 204 204 LEU LEU A . n A 1 159 THR 159 205 205 THR THR A . n A 1 160 ASP 160 206 206 ASP ASP A . n A 1 161 LEU 161 207 207 LEU LEU A . n A 1 162 HIS 162 208 208 HIS HIS A . n A 1 163 TRP 163 209 209 TRP TRP A . n A 1 164 ASP 164 210 210 ASP ASP A . n A 1 165 HIS 165 211 211 HIS HIS A . n A 1 166 ASP 166 212 212 ASP ASP A . n A 1 167 TYR 167 213 213 TYR TYR A . n A 1 168 LEU 168 214 214 LEU LEU A . n A 1 169 GLU 169 215 215 GLU GLU A . n A 1 170 GLY 170 216 216 GLY GLY A . n A 1 171 THR 171 217 217 THR THR A . n A 1 172 ASP 172 218 218 ASP ASP A . n A 1 173 PRO 173 219 219 PRO PRO A . n A 1 174 ASP 174 220 220 ASP ASP A . n A 1 175 CYS 175 221 221 CYS CYS A . n A 1 176 ALA 176 222 222 ALA ALA A . n A 1 177 ASP 177 223 223 ASP ASP A . n A 1 178 PRO 178 224 224 PRO PRO A . n A 1 179 LEU 179 225 225 LEU LEU A . n A 1 180 CYS 180 226 226 CYS CYS A . n A 1 181 CYS 181 227 227 CYS CYS A . n A 1 182 ARG 182 228 228 ARG ARG A . n A 1 183 ARG 183 229 229 ARG ARG A . n A 1 184 GLY 184 230 230 GLY GLY A . n A 1 185 SER 185 231 231 SER SER A . n A 1 186 GLY 186 232 232 GLY GLY A . n A 1 187 LEU 187 233 233 LEU LEU A . n A 1 188 PRO 188 234 234 PRO PRO A . n A 1 189 PRO 189 235 235 PRO PRO A . n A 1 190 ALA 190 236 236 ALA ALA A . n A 1 191 SER 191 237 237 SER SER A . n A 1 192 ARG 192 238 238 ARG ARG A . n A 1 193 PRO 193 239 239 PRO PRO A . n A 1 194 GLY 194 240 240 GLY GLY A . n A 1 195 ALA 195 241 241 ALA ALA A . n A 1 196 GLY 196 242 242 GLY GLY A . n A 1 197 TYR 197 243 243 TYR TYR A . n A 1 198 TRP 198 244 244 TRP TRP A . n A 1 199 GLY 199 245 245 GLY GLY A . n A 1 200 GLU 200 246 246 GLU GLU A . n A 1 201 TYR 201 247 247 TYR TYR A . n A 1 202 SER 202 248 248 SER SER A . n A 1 203 LYS 203 249 249 LYS LYS A . n A 1 204 CYS 204 250 250 CYS CYS A . n A 1 205 ASP 205 251 251 ASP ASP A . n A 1 206 LEU 206 252 252 LEU LEU A . n A 1 207 PRO 207 253 253 PRO PRO A . n A 1 208 LEU 208 254 254 LEU LEU A . n A 1 209 ARG 209 255 255 ARG ARG A . n A 1 210 THR 210 256 256 THR THR A . n A 1 211 LEU 211 257 257 LEU LEU A . n A 1 212 GLU 212 258 258 GLU GLU A . n A 1 213 SER 213 259 259 SER SER A . n A 1 214 LEU 214 260 260 LEU LEU A . n A 1 215 LEU 215 261 261 LEU LEU A . n A 1 216 SER 216 262 262 SER SER A . n A 1 217 GLY 217 263 263 GLY GLY A . n A 1 218 LEU 218 264 264 LEU LEU A . n A 1 219 GLY 219 265 265 GLY GLY A . n A 1 220 PRO 220 266 266 PRO PRO A . n A 1 221 ALA 221 267 267 ALA ALA A . n A 1 222 GLY 222 268 268 GLY GLY A . n A 1 223 PRO 223 269 269 PRO PRO A . n A 1 224 PHE 224 270 270 PHE PHE A . n A 1 225 ASP 225 271 271 ASP ASP A . n A 1 226 MET 226 272 272 MET MET A . n A 1 227 VAL 227 273 273 VAL VAL A . n A 1 228 TYR 228 274 274 TYR TYR A . n A 1 229 TRP 229 275 275 TRP TRP A . n A 1 230 THR 230 276 276 THR THR A . n A 1 231 GLY 231 277 277 GLY GLY A . n A 1 232 ASP 232 278 278 ASP ASP A . n A 1 233 ILE 233 279 279 ILE ILE A . n A 1 234 PRO 234 280 280 PRO PRO A . n A 1 235 ALA 235 281 281 ALA ALA A . n A 1 236 HIS 236 282 282 HIS HIS A . n A 1 237 ASP 237 283 283 ASP ASP A . n A 1 238 VAL 238 284 284 VAL VAL A . n A 1 239 TRP 239 285 285 TRP TRP A . n A 1 240 HIS 240 286 286 HIS HIS A . n A 1 241 GLN 241 287 287 GLN GLN A . n A 1 242 THR 242 288 288 THR THR A . n A 1 243 ARG 243 289 289 ARG ARG A . n A 1 244 GLN 244 290 290 GLN GLN A . n A 1 245 ASP 245 291 291 ASP ASP A . n A 1 246 GLN 246 292 292 GLN GLN A . n A 1 247 LEU 247 293 293 LEU LEU A . n A 1 248 ARG 248 294 294 ARG ARG A . n A 1 249 ALA 249 295 295 ALA ALA A . n A 1 250 LEU 250 296 296 LEU LEU A . n A 1 251 THR 251 297 297 THR THR A . n A 1 252 THR 252 298 298 THR THR A . n A 1 253 VAL 253 299 299 VAL VAL A . n A 1 254 THR 254 300 300 THR THR A . n A 1 255 ALA 255 301 301 ALA ALA A . n A 1 256 LEU 256 302 302 LEU LEU A . n A 1 257 VAL 257 303 303 VAL VAL A . n A 1 258 ARG 258 304 304 ARG ARG A . n A 1 259 LYS 259 305 305 LYS LYS A . n A 1 260 PHE 260 306 306 PHE PHE A . n A 1 261 LEU 261 307 307 LEU LEU A . n A 1 262 GLY 262 308 308 GLY GLY A . n A 1 263 PRO 263 309 309 PRO PRO A . n A 1 264 VAL 264 310 310 VAL VAL A . n A 1 265 PRO 265 311 311 PRO PRO A . n A 1 266 VAL 266 312 312 VAL VAL A . n A 1 267 TYR 267 313 313 TYR TYR A . n A 1 268 PRO 268 314 314 PRO PRO A . n A 1 269 ALA 269 315 315 ALA ALA A . n A 1 270 VAL 270 316 316 VAL VAL A . n A 1 271 GLY 271 317 317 GLY GLY A . n A 1 272 ASN 272 318 318 ASN ASN A . n A 1 273 HIS 273 319 319 HIS HIS A . n A 1 274 GLU 274 320 320 GLU GLU A . n A 1 275 SER 275 321 321 SER SER A . n A 1 276 THR 276 322 322 THR THR A . n A 1 277 PRO 277 323 323 PRO PRO A . n A 1 278 VAL 278 324 324 VAL VAL A . n A 1 279 ASN 279 325 325 ASN ASN A . n A 1 280 SER 280 326 326 SER SER A . n A 1 281 PHE 281 327 327 PHE PHE A . n A 1 282 PRO 282 328 328 PRO PRO A . n A 1 283 PRO 283 329 329 PRO PRO A . n A 1 284 PRO 284 330 330 PRO PRO A . n A 1 285 PHE 285 331 331 PHE PHE A . n A 1 286 ILE 286 332 332 ILE ILE A . n A 1 287 GLU 287 333 333 GLU GLU A . n A 1 288 GLY 288 334 334 GLY GLY A . n A 1 289 ASN 289 335 335 ASN ASN A . n A 1 290 HIS 290 336 336 HIS HIS A . n A 1 291 SER 291 337 337 SER SER A . n A 1 292 SER 292 338 338 SER SER A . n A 1 293 ARG 293 339 339 ARG ARG A . n A 1 294 TRP 294 340 340 TRP TRP A . n A 1 295 LEU 295 341 341 LEU LEU A . n A 1 296 TYR 296 342 342 TYR TYR A . n A 1 297 GLU 297 343 343 GLU GLU A . n A 1 298 ALA 298 344 344 ALA ALA A . n A 1 299 MET 299 345 345 MET MET A . n A 1 300 ALA 300 346 346 ALA ALA A . n A 1 301 LYS 301 347 347 LYS LYS A . n A 1 302 ALA 302 348 348 ALA ALA A . n A 1 303 TRP 303 349 349 TRP TRP A . n A 1 304 GLU 304 350 350 GLU GLU A . n A 1 305 PRO 305 351 351 PRO PRO A . n A 1 306 TRP 306 352 352 TRP TRP A . n A 1 307 LEU 307 353 353 LEU LEU A . n A 1 308 PRO 308 354 354 PRO PRO A . n A 1 309 ALA 309 355 355 ALA ALA A . n A 1 310 GLU 310 356 356 GLU GLU A . n A 1 311 ALA 311 357 357 ALA ALA A . n A 1 312 LEU 312 358 358 LEU LEU A . n A 1 313 ARG 313 359 359 ARG ARG A . n A 1 314 THR 314 360 360 THR THR A . n A 1 315 LEU 315 361 361 LEU LEU A . n A 1 316 ARG 316 362 362 ARG ARG A . n A 1 317 ILE 317 363 363 ILE ILE A . n A 1 318 GLY 318 364 364 GLY GLY A . n A 1 319 GLY 319 365 365 GLY GLY A . n A 1 320 PHE 320 366 366 PHE PHE A . n A 1 321 TYR 321 367 367 TYR TYR A . n A 1 322 ALA 322 368 368 ALA ALA A . n A 1 323 LEU 323 369 369 LEU LEU A . n A 1 324 SER 324 370 370 SER SER A . n A 1 325 PRO 325 371 371 PRO PRO A . n A 1 326 TYR 326 372 372 TYR TYR A . n A 1 327 PRO 327 373 373 PRO PRO A . n A 1 328 GLY 328 374 374 GLY GLY A . n A 1 329 LEU 329 375 375 LEU LEU A . n A 1 330 ARG 330 376 376 ARG ARG A . n A 1 331 LEU 331 377 377 LEU LEU A . n A 1 332 ILE 332 378 378 ILE ILE A . n A 1 333 SER 333 379 379 SER SER A . n A 1 334 LEU 334 380 380 LEU LEU A . n A 1 335 ASN 335 381 381 ASN ASN A . n A 1 336 MET 336 382 382 MET MET A . n A 1 337 ASN 337 383 383 ASN ASN A . n A 1 338 PHE 338 384 384 PHE PHE A . n A 1 339 CYS 339 385 385 CYS CYS A . n A 1 340 SER 340 386 386 SER SER A . n A 1 341 ARG 341 387 387 ARG ARG A . n A 1 342 GLU 342 388 388 GLU GLU A . n A 1 343 ASN 343 389 389 ASN ASN A . n A 1 344 PHE 344 390 390 PHE PHE A . n A 1 345 TRP 345 391 391 TRP TRP A . n A 1 346 LEU 346 392 392 LEU LEU A . n A 1 347 LEU 347 393 393 LEU LEU A . n A 1 348 ILE 348 394 394 ILE ILE A . n A 1 349 ASN 349 395 395 ASN ASN A . n A 1 350 SER 350 396 396 SER SER A . n A 1 351 THR 351 397 397 THR THR A . n A 1 352 ASP 352 398 398 ASP ASP A . n A 1 353 PRO 353 399 399 PRO PRO A . n A 1 354 ALA 354 400 400 ALA ALA A . n A 1 355 GLY 355 401 401 GLY GLY A . n A 1 356 GLN 356 402 402 GLN GLN A . n A 1 357 LEU 357 403 403 LEU LEU A . n A 1 358 GLN 358 404 404 GLN GLN A . n A 1 359 TRP 359 405 405 TRP TRP A . n A 1 360 LEU 360 406 406 LEU LEU A . n A 1 361 VAL 361 407 407 VAL VAL A . n A 1 362 GLY 362 408 408 GLY GLY A . n A 1 363 GLU 363 409 409 GLU GLU A . n A 1 364 LEU 364 410 410 LEU LEU A . n A 1 365 GLN 365 411 411 GLN GLN A . n A 1 366 ALA 366 412 412 ALA ALA A . n A 1 367 ALA 367 413 413 ALA ALA A . n A 1 368 GLU 368 414 414 GLU GLU A . n A 1 369 ASP 369 415 415 ASP ASP A . n A 1 370 ARG 370 416 416 ARG ARG A . n A 1 371 GLY 371 417 417 GLY GLY A . n A 1 372 ASP 372 418 418 ASP ASP A . n A 1 373 LYS 373 419 419 LYS LYS A . n A 1 374 VAL 374 420 420 VAL VAL A . n A 1 375 HIS 375 421 421 HIS HIS A . n A 1 376 ILE 376 422 422 ILE ILE A . n A 1 377 ILE 377 423 423 ILE ILE A . n A 1 378 GLY 378 424 424 GLY GLY A . n A 1 379 HIS 379 425 425 HIS HIS A . n A 1 380 ILE 380 426 426 ILE ILE A . n A 1 381 PRO 381 427 427 PRO PRO A . n A 1 382 PRO 382 428 428 PRO PRO A . n A 1 383 GLY 383 429 429 GLY GLY A . n A 1 384 HIS 384 430 430 HIS HIS A . n A 1 385 CYS 385 431 431 CYS CYS A . n A 1 386 LEU 386 432 432 LEU LEU A . n A 1 387 LYS 387 433 433 LYS LYS A . n A 1 388 SER 388 434 434 SER SER A . n A 1 389 TRP 389 435 435 TRP TRP A . n A 1 390 SER 390 436 436 SER SER A . n A 1 391 TRP 391 437 437 TRP TRP A . n A 1 392 ASN 392 438 438 ASN ASN A . n A 1 393 TYR 393 439 439 TYR TYR A . n A 1 394 TYR 394 440 440 TYR TYR A . n A 1 395 ARG 395 441 441 ARG ARG A . n A 1 396 ILE 396 442 442 ILE ILE A . n A 1 397 VAL 397 443 443 VAL VAL A . n A 1 398 ALA 398 444 444 ALA ALA A . n A 1 399 ARG 399 445 445 ARG ARG A . n A 1 400 TYR 400 446 446 TYR TYR A . n A 1 401 GLU 401 447 447 GLU GLU A . n A 1 402 ASN 402 448 448 ASN ASN A . n A 1 403 THR 403 449 449 THR THR A . n A 1 404 LEU 404 450 450 LEU LEU A . n A 1 405 ALA 405 451 451 ALA ALA A . n A 1 406 ALA 406 452 452 ALA ALA A . n A 1 407 GLN 407 453 453 GLN GLN A . n A 1 408 PHE 408 454 454 PHE PHE A . n A 1 409 PHE 409 455 455 PHE PHE A . n A 1 410 GLY 410 456 456 GLY GLY A . n A 1 411 HIS 411 457 457 HIS HIS A . n A 1 412 THR 412 458 458 THR THR A . n A 1 413 HIS 413 459 459 HIS HIS A . n A 1 414 VAL 414 460 460 VAL VAL A . n A 1 415 ASP 415 461 461 ASP ASP A . n A 1 416 GLU 416 462 462 GLU GLU A . n A 1 417 PHE 417 463 463 PHE PHE A . n A 1 418 GLU 418 464 464 GLU GLU A . n A 1 419 VAL 419 465 465 VAL VAL A . n A 1 420 PHE 420 466 466 PHE PHE A . n A 1 421 TYR 421 467 467 TYR TYR A . n A 1 422 ASP 422 468 468 ASP ASP A . n A 1 423 GLU 423 469 469 GLU GLU A . n A 1 424 GLU 424 470 470 GLU GLU A . n A 1 425 THR 425 471 471 THR THR A . n A 1 426 LEU 426 472 472 LEU LEU A . n A 1 427 SER 427 473 473 SER SER A . n A 1 428 ARG 428 474 474 ARG ARG A . n A 1 429 PRO 429 475 475 PRO PRO A . n A 1 430 LEU 430 476 476 LEU LEU A . n A 1 431 ALA 431 477 477 ALA ALA A . n A 1 432 VAL 432 478 478 VAL VAL A . n A 1 433 ALA 433 479 479 ALA ALA A . n A 1 434 PHE 434 480 480 PHE PHE A . n A 1 435 LEU 435 481 481 LEU LEU A . n A 1 436 ALA 436 482 482 ALA ALA A . n A 1 437 PRO 437 483 483 PRO PRO A . n A 1 438 SER 438 484 484 SER SER A . n A 1 439 ALA 439 485 485 ALA ALA A . n A 1 440 THR 440 486 486 THR THR A . n A 1 441 THR 441 487 487 THR THR A . n A 1 442 TYR 442 488 488 TYR TYR A . n A 1 443 ILE 443 489 489 ILE ILE A . n A 1 444 GLY 444 490 490 GLY GLY A . n A 1 445 LEU 445 491 491 LEU LEU A . n A 1 446 ASN 446 492 492 ASN ASN A . n A 1 447 PRO 447 493 493 PRO PRO A . n A 1 448 GLY 448 494 494 GLY GLY A . n A 1 449 TYR 449 495 495 TYR TYR A . n A 1 450 ARG 450 496 496 ARG ARG A . n A 1 451 VAL 451 497 497 VAL VAL A . n A 1 452 TYR 452 498 498 TYR TYR A . n A 1 453 GLN 453 499 499 GLN GLN A . n A 1 454 ILE 454 500 500 ILE ILE A . n A 1 455 ASP 455 501 501 ASP ASP A . n A 1 456 GLY 456 502 502 GLY GLY A . n A 1 457 ASN 457 503 503 ASN ASN A . n A 1 458 TYR 458 504 504 TYR TYR A . n A 1 459 SER 459 505 505 SER SER A . n A 1 460 GLY 460 506 506 GLY GLY A . n A 1 461 SER 461 507 507 SER SER A . n A 1 462 SER 462 508 508 SER SER A . n A 1 463 HIS 463 509 509 HIS HIS A . n A 1 464 VAL 464 510 510 VAL VAL A . n A 1 465 VAL 465 511 511 VAL VAL A . n A 1 466 LEU 466 512 512 LEU LEU A . n A 1 467 ASP 467 513 513 ASP ASP A . n A 1 468 HIS 468 514 514 HIS HIS A . n A 1 469 GLU 469 515 515 GLU GLU A . n A 1 470 THR 470 516 516 THR THR A . n A 1 471 TYR 471 517 517 TYR TYR A . n A 1 472 ILE 472 518 518 ILE ILE A . n A 1 473 LEU 473 519 519 LEU LEU A . n A 1 474 ASN 474 520 520 ASN ASN A . n A 1 475 LEU 475 521 521 LEU LEU A . n A 1 476 THR 476 522 522 THR THR A . n A 1 477 GLN 477 523 523 GLN GLN A . n A 1 478 ALA 478 524 524 ALA ALA A . n A 1 479 ASN 479 525 525 ASN ASN A . n A 1 480 ILE 480 526 526 ILE ILE A . n A 1 481 PRO 481 527 527 PRO PRO A . n A 1 482 GLY 482 528 528 GLY GLY A . n A 1 483 ALA 483 529 529 ALA ALA A . n A 1 484 ILE 484 530 530 ILE ILE A . n A 1 485 PRO 485 531 531 PRO PRO A . n A 1 486 HIS 486 532 532 HIS HIS A . n A 1 487 TRP 487 533 533 TRP TRP A . n A 1 488 GLN 488 534 534 GLN GLN A . n A 1 489 LEU 489 535 535 LEU LEU A . n A 1 490 LEU 490 536 536 LEU LEU A . n A 1 491 TYR 491 537 537 TYR TYR A . n A 1 492 ARG 492 538 538 ARG ARG A . n A 1 493 ALA 493 539 539 ALA ALA A . n A 1 494 ARG 494 540 540 ARG ARG A . n A 1 495 GLU 495 541 541 GLU GLU A . n A 1 496 THR 496 542 542 THR THR A . n A 1 497 TYR 497 543 543 TYR TYR A . n A 1 498 GLY 498 544 544 GLY GLY A . n A 1 499 LEU 499 545 545 LEU LEU A . n A 1 500 PRO 500 546 546 PRO PRO A . n A 1 501 ASN 501 547 547 ASN ASN A . n A 1 502 THR 502 548 548 THR THR A . n A 1 503 LEU 503 549 549 LEU LEU A . n A 1 504 PRO 504 550 550 PRO PRO A . n A 1 505 THR 505 551 551 THR THR A . n A 1 506 ALA 506 552 552 ALA ALA A . n A 1 507 TRP 507 553 553 TRP TRP A . n A 1 508 HIS 508 554 554 HIS HIS A . n A 1 509 ASN 509 555 555 ASN ASN A . n A 1 510 LEU 510 556 556 LEU LEU A . n A 1 511 VAL 511 557 557 VAL VAL A . n A 1 512 TYR 512 558 558 TYR TYR A . n A 1 513 ARG 513 559 559 ARG ARG A . n A 1 514 MET 514 560 560 MET MET A . n A 1 515 ARG 515 561 561 ARG ARG A . n A 1 516 GLY 516 562 562 GLY GLY A . n A 1 517 ASP 517 563 563 ASP ASP A . n A 1 518 MET 518 564 564 MET MET A . n A 1 519 GLN 519 565 565 GLN GLN A . n A 1 520 LEU 520 566 566 LEU LEU A . n A 1 521 PHE 521 567 567 PHE PHE A . n A 1 522 GLN 522 568 568 GLN GLN A . n A 1 523 THR 523 569 569 THR THR A . n A 1 524 PHE 524 570 570 PHE PHE A . n A 1 525 TRP 525 571 571 TRP TRP A . n A 1 526 PHE 526 572 572 PHE PHE A . n A 1 527 LEU 527 573 573 LEU LEU A . n A 1 528 TYR 528 574 574 TYR TYR A . n A 1 529 HIS 529 575 575 HIS HIS A . n A 1 530 LYS 530 576 576 LYS LYS A . n A 1 531 GLY 531 577 577 GLY GLY A . n A 1 532 HIS 532 578 578 HIS HIS A . n A 1 533 PRO 533 579 579 PRO PRO A . n A 1 534 PRO 534 580 580 PRO PRO A . n A 1 535 SER 535 581 581 SER SER A . n A 1 536 GLU 536 582 582 GLU GLU A . n A 1 537 PRO 537 583 583 PRO PRO A . n A 1 538 CYS 538 584 584 CYS CYS A . n A 1 539 GLY 539 585 585 GLY GLY A . n A 1 540 THR 540 586 586 THR THR A . n A 1 541 PRO 541 587 587 PRO PRO A . n A 1 542 CYS 542 588 588 CYS CYS A . n A 1 543 ARG 543 589 589 ARG ARG A . n A 1 544 LEU 544 590 590 LEU LEU A . n A 1 545 ALA 545 591 591 ALA ALA A . n A 1 546 THR 546 592 592 THR THR A . n A 1 547 LEU 547 593 593 LEU LEU A . n A 1 548 CYS 548 594 594 CYS CYS A . n A 1 549 ALA 549 595 595 ALA ALA A . n A 1 550 GLN 550 596 596 GLN GLN A . n A 1 551 LEU 551 597 597 LEU LEU A . n A 1 552 SER 552 598 598 SER SER A . n A 1 553 ALA 553 599 599 ALA ALA A . n A 1 554 ARG 554 600 600 ARG ARG A . n A 1 555 ALA 555 601 601 ALA ALA A . n A 1 556 ASP 556 602 602 ASP ASP A . n A 1 557 SER 557 603 603 SER SER A . n A 1 558 PRO 558 604 604 PRO PRO A . n A 1 559 ALA 559 605 605 ALA ALA A . n A 1 560 LEU 560 606 606 LEU LEU A . n A 1 561 CYS 561 607 607 CYS CYS A . n A 1 562 ARG 562 608 608 ARG ARG A . n A 1 563 HIS 563 609 609 HIS HIS A . n A 1 564 LEU 564 610 610 LEU LEU A . n A 1 565 MET 565 611 611 MET MET A . n A 1 566 PRO 566 612 ? ? ? A . n A 1 567 ASP 567 613 ? ? ? A . n A 1 568 GLY 568 614 ? ? ? A . n A 1 569 SER 569 615 ? ? ? A . n A 1 570 LEU 570 616 ? ? ? A . n A 1 571 PRO 571 617 ? ? ? A . n A 1 572 GLU 572 618 ? ? ? A . n A 1 573 ALA 573 619 ? ? ? A . n A 1 574 GLN 574 620 ? ? ? A . n A 1 575 SER 575 621 ? ? ? A . n A 1 576 LEU 576 622 ? ? ? A . n A 1 577 TRP 577 623 ? ? ? A . n A 1 578 PRO 578 624 ? ? ? A . n A 1 579 ARG 579 625 ? ? ? A . n A 1 580 PRO 580 626 ? ? ? A . n A 1 581 LEU 581 627 ? ? ? A . n A 1 582 PHE 582 628 ? ? ? A . n A 1 583 CYS 583 629 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 701 1086 NAG NAG A . C 2 NAG 1 702 1175 NAG NAG A . D 2 NAG 1 703 1335 NAG NAG A . E 2 NAG 2 704 1336 NAG NAG A . F 3 BMA 3 705 1337 BMA BMA A . G 2 NAG 1 706 1395 NAG NAG A . H 2 NAG 2 707 1396 NAG NAG A . I 3 BMA 3 708 1397 BMA BMA A . J 4 MAN 4 709 1398 MAN MAN A . K 4 MAN 5 710 1399 MAN MAN A . L 2 NAG 1 711 1503 NAG NAG A . M 2 NAG 1 712 1520 NAG NAG A . N 2 NAG 2 713 1521 NAG NAG A . O 5 ZN 1 714 1 ZN ZN A . P 5 ZN 1 715 2 ZN ZN A . Q 6 SO4 1 716 1 SO4 SO4 A . R 6 SO4 1 717 2 SO4 SO4 A . S 6 SO4 1 718 3 SO4 SO4 A . T 6 SO4 1 719 4 SO4 SO4 A . U 6 SO4 1 720 5 SO4 SO4 A . V 6 SO4 1 721 16 SO4 SO4 A . W 6 SO4 1 722 17 SO4 SO4 A . X 6 SO4 1 723 19 SO4 SO4 A . Y 6 SO4 1 724 20 SO4 SO4 A . Z 6 SO4 1 725 22 SO4 SO4 A . AA 6 SO4 1 726 23 SO4 SO4 A . BA 7 PC 1 727 1 PC PC A . CA 8 HOH 1 801 173 HOH HOH A . CA 8 HOH 2 802 70 HOH HOH A . CA 8 HOH 3 803 201 HOH HOH A . CA 8 HOH 4 804 47 HOH HOH A . CA 8 HOH 5 805 144 HOH HOH A . CA 8 HOH 6 806 136 HOH HOH A . CA 8 HOH 7 807 60 HOH HOH A . CA 8 HOH 8 808 12 HOH HOH A . CA 8 HOH 9 809 114 HOH HOH A . CA 8 HOH 10 810 167 HOH HOH A . CA 8 HOH 11 811 122 HOH HOH A . CA 8 HOH 12 812 128 HOH HOH A . CA 8 HOH 13 813 68 HOH HOH A . CA 8 HOH 14 814 108 HOH HOH A . CA 8 HOH 15 815 258 HOH HOH A . CA 8 HOH 16 816 30 HOH HOH A . CA 8 HOH 17 817 244 HOH HOH A . CA 8 HOH 18 818 186 HOH HOH A . CA 8 HOH 19 819 51 HOH HOH A . CA 8 HOH 20 820 235 HOH HOH A . CA 8 HOH 21 821 220 HOH HOH A . CA 8 HOH 22 822 166 HOH HOH A . CA 8 HOH 23 823 5 HOH HOH A . CA 8 HOH 24 824 40 HOH HOH A . CA 8 HOH 25 825 95 HOH HOH A . CA 8 HOH 26 826 164 HOH HOH A . CA 8 HOH 27 827 125 HOH HOH A . CA 8 HOH 28 828 77 HOH HOH A . CA 8 HOH 29 829 158 HOH HOH A . CA 8 HOH 30 830 23 HOH HOH A . CA 8 HOH 31 831 1 HOH HOH A . CA 8 HOH 32 832 17 HOH HOH A . CA 8 HOH 33 833 92 HOH HOH A . CA 8 HOH 34 834 129 HOH HOH A . CA 8 HOH 35 835 24 HOH HOH A . CA 8 HOH 36 836 19 HOH HOH A . CA 8 HOH 37 837 109 HOH HOH A . CA 8 HOH 38 838 14 HOH HOH A . CA 8 HOH 39 839 159 HOH HOH A . CA 8 HOH 40 840 127 HOH HOH A . CA 8 HOH 41 841 205 HOH HOH A . CA 8 HOH 42 842 214 HOH HOH A . CA 8 HOH 43 843 230 HOH HOH A . CA 8 HOH 44 844 21 HOH HOH A . CA 8 HOH 45 845 137 HOH HOH A . CA 8 HOH 46 846 231 HOH HOH A . CA 8 HOH 47 847 11 HOH HOH A . CA 8 HOH 48 848 89 HOH HOH A . CA 8 HOH 49 849 175 HOH HOH A . CA 8 HOH 50 850 3 HOH HOH A . CA 8 HOH 51 851 241 HOH HOH A . CA 8 HOH 52 852 118 HOH HOH A . CA 8 HOH 53 853 6 HOH HOH A . CA 8 HOH 54 854 36 HOH HOH A . CA 8 HOH 55 855 78 HOH HOH A . CA 8 HOH 56 856 25 HOH HOH A . CA 8 HOH 57 857 9 HOH HOH A . CA 8 HOH 58 858 217 HOH HOH A . CA 8 HOH 59 859 16 HOH HOH A . CA 8 HOH 60 860 195 HOH HOH A . CA 8 HOH 61 861 86 HOH HOH A . CA 8 HOH 62 862 35 HOH HOH A . CA 8 HOH 63 863 256 HOH HOH A . CA 8 HOH 64 864 31 HOH HOH A . CA 8 HOH 65 865 81 HOH HOH A . CA 8 HOH 66 866 152 HOH HOH A . CA 8 HOH 67 867 112 HOH HOH A . CA 8 HOH 68 868 41 HOH HOH A . CA 8 HOH 69 869 32 HOH HOH A . CA 8 HOH 70 870 139 HOH HOH A . CA 8 HOH 71 871 71 HOH HOH A . CA 8 HOH 72 872 39 HOH HOH A . CA 8 HOH 73 873 233 HOH HOH A . CA 8 HOH 74 874 252 HOH HOH A . CA 8 HOH 75 875 61 HOH HOH A . CA 8 HOH 76 876 13 HOH HOH A . CA 8 HOH 77 877 57 HOH HOH A . CA 8 HOH 78 878 22 HOH HOH A . CA 8 HOH 79 879 203 HOH HOH A . CA 8 HOH 80 880 49 HOH HOH A . CA 8 HOH 81 881 117 HOH HOH A . CA 8 HOH 82 882 130 HOH HOH A . CA 8 HOH 83 883 67 HOH HOH A . CA 8 HOH 84 884 38 HOH HOH A . CA 8 HOH 85 885 43 HOH HOH A . CA 8 HOH 86 886 185 HOH HOH A . CA 8 HOH 87 887 8 HOH HOH A . CA 8 HOH 88 888 169 HOH HOH A . CA 8 HOH 89 889 250 HOH HOH A . CA 8 HOH 90 890 26 HOH HOH A . CA 8 HOH 91 891 232 HOH HOH A . CA 8 HOH 92 892 120 HOH HOH A . CA 8 HOH 93 893 7 HOH HOH A . CA 8 HOH 94 894 18 HOH HOH A . CA 8 HOH 95 895 10 HOH HOH A . CA 8 HOH 96 896 33 HOH HOH A . CA 8 HOH 97 897 254 HOH HOH A . CA 8 HOH 98 898 148 HOH HOH A . CA 8 HOH 99 899 59 HOH HOH A . CA 8 HOH 100 900 79 HOH HOH A . CA 8 HOH 101 901 97 HOH HOH A . CA 8 HOH 102 902 87 HOH HOH A . CA 8 HOH 103 903 42 HOH HOH A . CA 8 HOH 104 904 141 HOH HOH A . CA 8 HOH 105 905 134 HOH HOH A . CA 8 HOH 106 906 119 HOH HOH A . CA 8 HOH 107 907 161 HOH HOH A . CA 8 HOH 108 908 211 HOH HOH A . CA 8 HOH 109 909 98 HOH HOH A . CA 8 HOH 110 910 96 HOH HOH A . CA 8 HOH 111 911 126 HOH HOH A . CA 8 HOH 112 912 229 HOH HOH A . CA 8 HOH 113 913 115 HOH HOH A . CA 8 HOH 114 914 107 HOH HOH A . CA 8 HOH 115 915 34 HOH HOH A . CA 8 HOH 116 916 224 HOH HOH A . CA 8 HOH 117 917 76 HOH HOH A . CA 8 HOH 118 918 15 HOH HOH A . CA 8 HOH 119 919 4 HOH HOH A . CA 8 HOH 120 920 190 HOH HOH A . CA 8 HOH 121 921 151 HOH HOH A . CA 8 HOH 122 922 225 HOH HOH A . CA 8 HOH 123 923 37 HOH HOH A . CA 8 HOH 124 924 62 HOH HOH A . CA 8 HOH 125 925 155 HOH HOH A . CA 8 HOH 126 926 69 HOH HOH A . CA 8 HOH 127 927 75 HOH HOH A . CA 8 HOH 128 928 196 HOH HOH A . CA 8 HOH 129 929 58 HOH HOH A . CA 8 HOH 130 930 183 HOH HOH A . CA 8 HOH 131 931 80 HOH HOH A . CA 8 HOH 132 932 83 HOH HOH A . CA 8 HOH 133 933 45 HOH HOH A . CA 8 HOH 134 934 66 HOH HOH A . CA 8 HOH 135 935 65 HOH HOH A . CA 8 HOH 136 936 243 HOH HOH A . CA 8 HOH 137 937 200 HOH HOH A . CA 8 HOH 138 938 56 HOH HOH A . CA 8 HOH 139 939 116 HOH HOH A . CA 8 HOH 140 940 48 HOH HOH A . CA 8 HOH 141 941 55 HOH HOH A . CA 8 HOH 142 942 133 HOH HOH A . CA 8 HOH 143 943 53 HOH HOH A . CA 8 HOH 144 944 29 HOH HOH A . CA 8 HOH 145 945 223 HOH HOH A . CA 8 HOH 146 946 27 HOH HOH A . CA 8 HOH 147 947 20 HOH HOH A . CA 8 HOH 148 948 90 HOH HOH A . CA 8 HOH 149 949 44 HOH HOH A . CA 8 HOH 150 950 165 HOH HOH A . CA 8 HOH 151 951 193 HOH HOH A . CA 8 HOH 152 952 72 HOH HOH A . CA 8 HOH 153 953 207 HOH HOH A . CA 8 HOH 154 954 138 HOH HOH A . CA 8 HOH 155 955 73 HOH HOH A . CA 8 HOH 156 956 131 HOH HOH A . CA 8 HOH 157 957 255 HOH HOH A . CA 8 HOH 158 958 82 HOH HOH A . CA 8 HOH 159 959 191 HOH HOH A . CA 8 HOH 160 960 184 HOH HOH A . CA 8 HOH 161 961 168 HOH HOH A . CA 8 HOH 162 962 106 HOH HOH A . CA 8 HOH 163 963 142 HOH HOH A . CA 8 HOH 164 964 153 HOH HOH A . CA 8 HOH 165 965 208 HOH HOH A . CA 8 HOH 166 966 91 HOH HOH A . CA 8 HOH 167 967 204 HOH HOH A . CA 8 HOH 168 968 261 HOH HOH A . CA 8 HOH 169 969 100 HOH HOH A . CA 8 HOH 170 970 259 HOH HOH A . CA 8 HOH 171 971 236 HOH HOH A . CA 8 HOH 172 972 52 HOH HOH A . CA 8 HOH 173 973 103 HOH HOH A . CA 8 HOH 174 974 111 HOH HOH A . CA 8 HOH 175 975 170 HOH HOH A . CA 8 HOH 176 976 123 HOH HOH A . CA 8 HOH 177 977 85 HOH HOH A . CA 8 HOH 178 978 222 HOH HOH A . CA 8 HOH 179 979 228 HOH HOH A . CA 8 HOH 180 980 163 HOH HOH A . CA 8 HOH 181 981 94 HOH HOH A . CA 8 HOH 182 982 218 HOH HOH A . CA 8 HOH 183 983 110 HOH HOH A . CA 8 HOH 184 984 179 HOH HOH A . CA 8 HOH 185 985 54 HOH HOH A . CA 8 HOH 186 986 242 HOH HOH A . CA 8 HOH 187 987 63 HOH HOH A . CA 8 HOH 188 988 135 HOH HOH A . CA 8 HOH 189 989 157 HOH HOH A . CA 8 HOH 190 990 149 HOH HOH A . CA 8 HOH 191 991 132 HOH HOH A . CA 8 HOH 192 992 182 HOH HOH A . CA 8 HOH 193 993 154 HOH HOH A . CA 8 HOH 194 994 240 HOH HOH A . CA 8 HOH 195 995 198 HOH HOH A . CA 8 HOH 196 996 101 HOH HOH A . CA 8 HOH 197 997 28 HOH HOH A . CA 8 HOH 198 998 74 HOH HOH A . CA 8 HOH 199 999 257 HOH HOH A . CA 8 HOH 200 1000 102 HOH HOH A . CA 8 HOH 201 1001 239 HOH HOH A . CA 8 HOH 202 1002 188 HOH HOH A . CA 8 HOH 203 1003 121 HOH HOH A . CA 8 HOH 204 1004 245 HOH HOH A . CA 8 HOH 205 1005 2 HOH HOH A . CA 8 HOH 206 1006 238 HOH HOH A . CA 8 HOH 207 1007 88 HOH HOH A . CA 8 HOH 208 1008 162 HOH HOH A . CA 8 HOH 209 1009 247 HOH HOH A . CA 8 HOH 210 1010 178 HOH HOH A . CA 8 HOH 211 1011 156 HOH HOH A . CA 8 HOH 212 1012 248 HOH HOH A . CA 8 HOH 213 1013 197 HOH HOH A . CA 8 HOH 214 1014 124 HOH HOH A . CA 8 HOH 215 1015 202 HOH HOH A . CA 8 HOH 216 1016 113 HOH HOH A . CA 8 HOH 217 1017 105 HOH HOH A . CA 8 HOH 218 1018 180 HOH HOH A . CA 8 HOH 219 1019 145 HOH HOH A . CA 8 HOH 220 1020 249 HOH HOH A . CA 8 HOH 221 1021 189 HOH HOH A . CA 8 HOH 222 1022 104 HOH HOH A . CA 8 HOH 223 1023 46 HOH HOH A . CA 8 HOH 224 1024 171 HOH HOH A . CA 8 HOH 225 1025 251 HOH HOH A . CA 8 HOH 226 1026 260 HOH HOH A . CA 8 HOH 227 1027 253 HOH HOH A . CA 8 HOH 228 1028 64 HOH HOH A . CA 8 HOH 229 1029 176 HOH HOH A . CA 8 HOH 230 1030 143 HOH HOH A . CA 8 HOH 231 1031 212 HOH HOH A . CA 8 HOH 232 1032 209 HOH HOH A . CA 8 HOH 233 1033 194 HOH HOH A . CA 8 HOH 234 1034 147 HOH HOH A . CA 8 HOH 235 1035 146 HOH HOH A . CA 8 HOH 236 1036 226 HOH HOH A . CA 8 HOH 237 1037 192 HOH HOH A . CA 8 HOH 238 1038 187 HOH HOH A . CA 8 HOH 239 1039 221 HOH HOH A . CA 8 HOH 240 1040 177 HOH HOH A . CA 8 HOH 241 1041 150 HOH HOH A . CA 8 HOH 242 1042 181 HOH HOH A . CA 8 HOH 243 1043 206 HOH HOH A . CA 8 HOH 244 1044 160 HOH HOH A . CA 8 HOH 245 1045 219 HOH HOH A . CA 8 HOH 246 1046 216 HOH HOH A . CA 8 HOH 247 1047 246 HOH HOH A . CA 8 HOH 248 1048 99 HOH HOH A . CA 8 HOH 249 1049 213 HOH HOH A . CA 8 HOH 250 1050 199 HOH HOH A . CA 8 HOH 251 1051 237 HOH HOH A . CA 8 HOH 252 1052 140 HOH HOH A . CA 8 HOH 253 1053 84 HOH HOH A . CA 8 HOH 254 1054 234 HOH HOH A . CA 8 HOH 255 1055 172 HOH HOH A . CA 8 HOH 256 1056 227 HOH HOH A . CA 8 HOH 257 1057 174 HOH HOH A . CA 8 HOH 258 1058 93 HOH HOH A . CA 8 HOH 259 1059 210 HOH HOH A . CA 8 HOH 260 1060 215 HOH HOH A . CA 8 HOH 261 1061 50 HOH HOH A . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA 2 1,2,3,4 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 2 'ABSA (A^2)' 25600 ? 2 MORE -658 ? 2 'SSA (A^2)' 89120 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 4_555 -x,-y,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 9_554 -x,-x+y,-z-1/3 -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -62.8576666667 4 'crystal symmetry operation' 12_554 x,x-y,-z-1/3 0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -62.8576666667 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 950 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id CA _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 OD1 ? A ASP 160 ? A ASP 206 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 NE2 ? A HIS 162 ? A HIS 208 ? 1_555 113.6 ? 2 OD1 ? A ASP 160 ? A ASP 206 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 82.1 ? 3 NE2 ? A HIS 162 ? A HIS 208 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 83.4 ? 4 OD1 ? A ASP 160 ? A ASP 206 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 NE2 ? A HIS 413 ? A HIS 459 ? 1_555 94.3 ? 5 NE2 ? A HIS 162 ? A HIS 208 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 NE2 ? A HIS 413 ? A HIS 459 ? 1_555 101.9 ? 6 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 NE2 ? A HIS 413 ? A HIS 459 ? 1_555 174.5 ? 7 OD1 ? A ASP 160 ? A ASP 206 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O1 ? BA PC . ? A PC 727 ? 1_555 160.0 ? 8 NE2 ? A HIS 162 ? A HIS 208 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O1 ? BA PC . ? A PC 727 ? 1_555 81.3 ? 9 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O1 ? BA PC . ? A PC 727 ? 1_555 86.8 ? 10 NE2 ? A HIS 413 ? A HIS 459 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O1 ? BA PC . ? A PC 727 ? 1_555 95.5 ? 11 OD1 ? A ASP 160 ? A ASP 206 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 104.7 ? 12 NE2 ? A HIS 162 ? A HIS 208 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 133.1 ? 13 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 76.1 ? 14 NE2 ? A HIS 413 ? A HIS 459 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 101.0 ? 15 O1 ? BA PC . ? A PC 727 ? 1_555 ZN ? P ZN . ? A ZN 715 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 56.2 ? 16 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 OD1 ? A ASN 272 ? A ASN 318 ? 1_555 101.9 ? 17 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 NE2 ? A HIS 379 ? A HIS 425 ? 1_555 93.9 ? 18 OD1 ? A ASN 272 ? A ASN 318 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 NE2 ? A HIS 379 ? A HIS 425 ? 1_555 81.7 ? 19 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 ND1 ? A HIS 411 ? A HIS 457 ? 1_555 159.1 ? 20 OD1 ? A ASN 272 ? A ASN 318 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 ND1 ? A HIS 411 ? A HIS 457 ? 1_555 99.0 ? 21 NE2 ? A HIS 379 ? A HIS 425 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 ND1 ? A HIS 411 ? A HIS 457 ? 1_555 89.8 ? 22 OD2 ? A ASP 232 ? A ASP 278 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 79.8 ? 23 OD1 ? A ASN 272 ? A ASN 318 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 135.5 ? 24 NE2 ? A HIS 379 ? A HIS 425 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 142.8 ? 25 ND1 ? A HIS 411 ? A HIS 457 ? 1_555 ZN ? O ZN . ? A ZN 714 ? 1_555 O4 ? BA PC . ? A PC 727 ? 1_555 84.9 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-09-07 2 'Structure model' 1 1 2016-11-16 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # 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 -32.0149 -53.4368 -43.2966 0.2714 0.5600 0.3559 -0.2193 0.0096 -0.0031 0.9436 6.9250 1.6644 -0.1747 0.6986 0.4847 0.0165 0.1504 0.2727 -0.2940 0.0290 0.5323 0.1801 -0.0930 -0.1392 'X-RAY DIFFRACTION' 2 ? refined -8.4684 -36.5066 -33.4933 0.2229 0.3957 0.2132 -0.1387 -0.0230 0.0428 1.0157 0.6379 1.2290 0.1910 0.6005 0.2010 -0.1307 0.3649 0.0575 -0.2050 0.1100 0.0469 0.0272 0.0946 0.0110 'X-RAY DIFFRACTION' 3 ? refined -0.9900 -49.7530 -31.9245 0.2329 0.3174 0.2326 -0.0650 -0.0014 -0.0703 1.6337 1.2926 2.1811 0.3303 0.5182 0.0587 -0.0442 0.4509 -0.1991 -0.2181 0.1475 -0.0160 0.3624 0.1879 -0.0966 'X-RAY DIFFRACTION' 4 ? refined -2.6569 -41.1269 -17.0606 0.1315 0.2417 0.1785 -0.0674 -0.0069 0.0116 0.9744 0.9191 1.9910 -0.3485 0.6301 0.0622 -0.0707 0.2195 -0.0159 0.0132 0.1595 0.0298 0.1940 0.1122 -0.0615 'X-RAY DIFFRACTION' 5 ? refined -8.1869 -27.2748 -13.2717 0.1490 0.2215 0.1885 -0.0412 -0.0488 0.0099 1.3917 2.0621 2.2558 -0.0444 0.1141 -1.1056 -0.1570 0.0756 0.2077 0.0728 0.1941 0.1160 -0.2219 -0.0858 -0.0033 # 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 84 through 127 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 128 through 324 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 325 through 416 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 417 through 510 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 511 through 611 ) ; # _pdbx_phasing_MR.entry_id 5I85 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details ? _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.630 _pdbx_phasing_MR.d_res_low_rotation 31.170 _pdbx_phasing_MR.d_res_high_translation 2.630 _pdbx_phasing_MR.d_res_low_translation 31.170 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.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 ? ? ? '(dev_2229: ???)' 1 ? 'data collection' ? ? ? ? ? ? ? ? ? ? ? CrystalClear ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? 3.3.21 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.20 5 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? . 6 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 A ASN 175 ? ? C1 A NAG 702 ? ? 1.61 2 1 ND2 A ASN 86 ? ? C1 A NAG 701 ? ? 1.87 3 1 OD1 A ASN 335 ? ? C1 A NAG 703 ? ? 1.93 4 1 O A HOH 1018 ? ? O A HOH 1036 ? ? 2.11 5 1 OD1 A ASN 108 ? ? NH1 A ARG 111 ? ? 2.14 6 1 O A HOH 1023 ? ? O A HOH 1044 ? ? 2.16 7 1 NH1 A ARG 200 ? ? O A ALA 267 ? ? 2.17 8 1 ND2 A ASN 520 ? ? O5 A NAG 712 ? ? 2.18 9 1 O A HOH 992 ? ? O A HOH 1055 ? ? 2.19 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LYS A 124 ? ? 38.89 41.33 2 1 SER A 149 ? ? -131.80 -84.56 3 1 CYS A 165 ? ? -90.03 -60.51 4 1 ASP A 220 ? ? -109.21 53.62 5 1 CYS A 226 ? ? -125.16 -156.01 6 1 ASP A 251 ? ? -107.75 -162.59 7 1 THR A 276 ? ? -100.73 42.29 8 1 ASP A 278 ? ? 74.32 76.28 9 1 HIS A 286 ? ? -150.57 72.21 10 1 ASN A 395 ? ? -163.90 112.38 11 1 ASP A 398 ? ? 21.91 66.50 12 1 HIS A 425 ? ? -95.38 -78.90 13 1 HIS A 457 ? ? 69.70 -38.75 14 1 HIS A 459 ? ? 76.23 -10.76 15 1 SER A 473 ? ? -142.57 -10.90 16 1 SER A 598 ? ? -104.91 71.39 # 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 N 1 A NAG 701 ? O1 ? B NAG 1 O1 2 1 N 1 A NAG 702 ? O1 ? C NAG 1 O1 3 1 N 1 A NAG 703 ? O1 ? D NAG 1 O1 # 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 LEU 47 ? A LEU 1 2 1 Y 1 A SER 48 ? A SER 2 3 1 Y 1 A ASP 49 ? A ASP 3 4 1 Y 1 A SER 50 ? A SER 4 5 1 Y 1 A ARG 51 ? A ARG 5 6 1 Y 1 A VAL 52 ? A VAL 6 7 1 Y 1 A LEU 53 ? A LEU 7 8 1 Y 1 A TRP 54 ? A TRP 8 9 1 Y 1 A ALA 55 ? A ALA 9 10 1 Y 1 A PRO 56 ? A PRO 10 11 1 Y 1 A ALA 57 ? A ALA 11 12 1 Y 1 A GLU 58 ? A GLU 12 13 1 Y 1 A ALA 59 ? A ALA 13 14 1 Y 1 A HIS 60 ? A HIS 14 15 1 Y 1 A PRO 61 ? A PRO 15 16 1 Y 1 A LEU 62 ? A LEU 16 17 1 Y 1 A SER 63 ? A SER 17 18 1 Y 1 A PRO 64 ? A PRO 18 19 1 Y 1 A GLN 65 ? A GLN 19 20 1 Y 1 A GLY 66 ? A GLY 20 21 1 Y 1 A HIS 67 ? A HIS 21 22 1 Y 1 A PRO 68 ? A PRO 22 23 1 Y 1 A ALA 69 ? A ALA 23 24 1 Y 1 A ARG 70 ? A ARG 24 25 1 Y 1 A LEU 71 ? A LEU 25 26 1 Y 1 A HIS 72 ? A HIS 26 27 1 Y 1 A ARG 73 ? A ARG 27 28 1 Y 1 A ILE 74 ? A ILE 28 29 1 Y 1 A VAL 75 ? A VAL 29 30 1 Y 1 A PRO 76 ? A PRO 30 31 1 Y 1 A ARG 77 ? A ARG 31 32 1 Y 1 A LEU 78 ? A LEU 32 33 1 Y 1 A ARG 79 ? A ARG 33 34 1 Y 1 A ASP 80 ? A ASP 34 35 1 Y 1 A VAL 81 ? A VAL 35 36 1 Y 1 A PHE 82 ? A PHE 36 37 1 Y 1 A GLY 83 ? A GLY 37 38 1 Y 1 A PRO 612 ? A PRO 566 39 1 Y 1 A ASP 613 ? A ASP 567 40 1 Y 1 A GLY 614 ? A GLY 568 41 1 Y 1 A SER 615 ? A SER 569 42 1 Y 1 A LEU 616 ? A LEU 570 43 1 Y 1 A PRO 617 ? A PRO 571 44 1 Y 1 A GLU 618 ? A GLU 572 45 1 Y 1 A ALA 619 ? A ALA 573 46 1 Y 1 A GLN 620 ? A GLN 574 47 1 Y 1 A SER 621 ? A SER 575 48 1 Y 1 A LEU 622 ? A LEU 576 49 1 Y 1 A TRP 623 ? A TRP 577 50 1 Y 1 A PRO 624 ? A PRO 578 51 1 Y 1 A ARG 625 ? A ARG 579 52 1 Y 1 A PRO 626 ? A PRO 580 53 1 Y 1 A LEU 627 ? A LEU 581 54 1 Y 1 A PHE 628 ? A PHE 582 55 1 Y 1 A CYS 629 ? A CYS 583 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'ZINC ION' ZN 6 'SULFATE ION' SO4 7 PHOSPHOCHOLINE PC 8 water HOH #