data_5B72 # _entry.id 5B72 # _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 5B72 WWPDB D_1300000645 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5B72 _pdbx_database_status.recvd_initial_deposition_date 2016-06-03 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Singh, P.K.' 1 'Sirohi, H.V.' 2 'Kaur, P.' 3 'Sharma, S.' 4 'Singh, T.P.' 5 # _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 NE _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Biochim. Biophys. Acta' _citation.journal_id_ASTM BBACAQ _citation.journal_id_CSD 0113 _citation.journal_id_ISSN 0006-3002 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 1865 _citation.language ? _citation.page_first 329 _citation.page_last 335 _citation.title 'Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.bbapap.2016.12.006 _citation.pdbx_database_id_PubMed 27986533 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Singh, P.K.' 1 primary 'Sirohi, H.V.' 2 primary 'Iqbal, N.' 3 primary 'Tiwari, P.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 5B72 _cell.length_a 53.847 _cell.length_b 80.192 _cell.length_c 75.086 _cell.angle_alpha 90.00 _cell.angle_beta 105.41 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5B72 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 Lactoperoxidase 67740.211 1 1.11.1.7 'W220S, F254S, D410K, V547M' 'UNP residues 118-712' ? 2 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 3 non-polymer syn '1-(OXIDOSULFANYL)METHANAMINE' 79.122 1 ? ? ? ? 4 non-polymer syn 'IODIDE ION' 126.904 9 ? ? ? ? 5 non-polymer syn 'TRIETHYLENE GLYCOL' 150.173 2 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 8 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 9 water nat water 18.015 262 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name LPO # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEP(SEP)LASRLRNLSSPLGLMAVNQEASDHGLAYLPFNNKKPSP CEFINTTARVPCFLAGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIV LGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLV RGLLAKKSKLMNQKKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKIL AKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDN THITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_seq_one_letter_code_can ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEASDHGLAYLPFNNKKPSPCEFI NTTARVPCFLAGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQKKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDNTHIT KVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 TRP n 1 3 GLU n 1 4 VAL n 1 5 GLY n 1 6 CYS n 1 7 GLY n 1 8 ALA n 1 9 PRO n 1 10 VAL n 1 11 PRO n 1 12 LEU n 1 13 VAL n 1 14 LYS n 1 15 CYS n 1 16 ASP n 1 17 GLU n 1 18 ASN n 1 19 SER n 1 20 PRO n 1 21 TYR n 1 22 ARG n 1 23 THR n 1 24 ILE n 1 25 THR n 1 26 GLY n 1 27 ASP n 1 28 CYS n 1 29 ASN n 1 30 ASN n 1 31 ARG n 1 32 ARG n 1 33 SER n 1 34 PRO n 1 35 ALA n 1 36 LEU n 1 37 GLY n 1 38 ALA n 1 39 ALA n 1 40 ASN n 1 41 ARG n 1 42 ALA n 1 43 LEU n 1 44 ALA n 1 45 ARG n 1 46 TRP n 1 47 LEU n 1 48 PRO n 1 49 ALA n 1 50 GLU n 1 51 TYR n 1 52 GLU n 1 53 ASP n 1 54 GLY n 1 55 LEU n 1 56 ALA n 1 57 LEU n 1 58 PRO n 1 59 PHE n 1 60 GLY n 1 61 TRP n 1 62 THR n 1 63 GLN n 1 64 ARG n 1 65 LYS n 1 66 THR n 1 67 ARG n 1 68 ASN n 1 69 GLY n 1 70 PHE n 1 71 ARG n 1 72 VAL n 1 73 PRO n 1 74 LEU n 1 75 ALA n 1 76 ARG n 1 77 GLU n 1 78 VAL n 1 79 SER n 1 80 ASN n 1 81 LYS n 1 82 ILE n 1 83 VAL n 1 84 GLY n 1 85 TYR n 1 86 LEU n 1 87 ASP n 1 88 GLU n 1 89 GLU n 1 90 GLY n 1 91 VAL n 1 92 LEU n 1 93 ASP n 1 94 GLN n 1 95 ASN n 1 96 ARG n 1 97 SER n 1 98 LEU n 1 99 LEU n 1 100 PHE n 1 101 MET n 1 102 GLN n 1 103 TRP n 1 104 GLY n 1 105 GLN n 1 106 ILE n 1 107 VAL n 1 108 ASP n 1 109 HIS n 1 110 ASP n 1 111 LEU n 1 112 ASP n 1 113 PHE n 1 114 ALA n 1 115 PRO n 1 116 GLU n 1 117 THR n 1 118 GLU n 1 119 LEU n 1 120 GLY n 1 121 SER n 1 122 ASN n 1 123 GLU n 1 124 HIS n 1 125 SER n 1 126 LYS n 1 127 THR n 1 128 GLN n 1 129 CYS n 1 130 GLU n 1 131 GLU n 1 132 TYR n 1 133 CYS n 1 134 ILE n 1 135 GLN n 1 136 GLY n 1 137 ASP n 1 138 ASN n 1 139 CYS n 1 140 PHE n 1 141 PRO n 1 142 ILE n 1 143 MET n 1 144 PHE n 1 145 PRO n 1 146 LYS n 1 147 ASN n 1 148 ASP n 1 149 PRO n 1 150 LYS n 1 151 LEU n 1 152 LYS n 1 153 THR n 1 154 GLN n 1 155 GLY n 1 156 LYS n 1 157 CYS n 1 158 MET n 1 159 PRO n 1 160 PHE n 1 161 PHE n 1 162 ARG n 1 163 ALA n 1 164 GLY n 1 165 PHE n 1 166 VAL n 1 167 CYS n 1 168 PRO n 1 169 THR n 1 170 PRO n 1 171 PRO n 1 172 TYR n 1 173 GLN n 1 174 SER n 1 175 LEU n 1 176 ALA n 1 177 ARG n 1 178 GLU n 1 179 GLN n 1 180 ILE n 1 181 ASN n 1 182 ALA n 1 183 VAL n 1 184 THR n 1 185 SER n 1 186 PHE n 1 187 LEU n 1 188 ASP n 1 189 ALA n 1 190 SER n 1 191 LEU n 1 192 VAL n 1 193 TYR n 1 194 GLY n 1 195 SER n 1 196 GLU n 1 197 PRO n 1 198 SEP n 1 199 LEU n 1 200 ALA n 1 201 SER n 1 202 ARG n 1 203 LEU n 1 204 ARG n 1 205 ASN n 1 206 LEU n 1 207 SER n 1 208 SER n 1 209 PRO n 1 210 LEU n 1 211 GLY n 1 212 LEU n 1 213 MET n 1 214 ALA n 1 215 VAL n 1 216 ASN n 1 217 GLN n 1 218 GLU n 1 219 ALA n 1 220 SER n 1 221 ASP n 1 222 HIS n 1 223 GLY n 1 224 LEU n 1 225 ALA n 1 226 TYR n 1 227 LEU n 1 228 PRO n 1 229 PHE n 1 230 ASN n 1 231 ASN n 1 232 LYS n 1 233 LYS n 1 234 PRO n 1 235 SER n 1 236 PRO n 1 237 CYS n 1 238 GLU n 1 239 PHE n 1 240 ILE n 1 241 ASN n 1 242 THR n 1 243 THR n 1 244 ALA n 1 245 ARG n 1 246 VAL n 1 247 PRO n 1 248 CYS n 1 249 PHE n 1 250 LEU n 1 251 ALA n 1 252 GLY n 1 253 ASP n 1 254 SER n 1 255 ARG n 1 256 ALA n 1 257 SER n 1 258 GLU n 1 259 GLN n 1 260 ILE n 1 261 LEU n 1 262 LEU n 1 263 ALA n 1 264 THR n 1 265 ALA n 1 266 HIS n 1 267 THR n 1 268 LEU n 1 269 LEU n 1 270 LEU n 1 271 ARG n 1 272 GLU n 1 273 HIS n 1 274 ASN n 1 275 ARG n 1 276 LEU n 1 277 ALA n 1 278 ARG n 1 279 GLU n 1 280 LEU n 1 281 LYS n 1 282 LYS n 1 283 LEU n 1 284 ASN n 1 285 PRO n 1 286 HIS n 1 287 TRP n 1 288 ASN n 1 289 GLY n 1 290 GLU n 1 291 LYS n 1 292 LEU n 1 293 TYR n 1 294 GLN n 1 295 GLU n 1 296 ALA n 1 297 ARG n 1 298 LYS n 1 299 ILE n 1 300 LEU n 1 301 GLY n 1 302 ALA n 1 303 PHE n 1 304 ILE n 1 305 GLN n 1 306 ILE n 1 307 ILE n 1 308 THR n 1 309 PHE n 1 310 ARG n 1 311 ASP n 1 312 TYR n 1 313 LEU n 1 314 PRO n 1 315 ILE n 1 316 VAL n 1 317 LEU n 1 318 GLY n 1 319 SER n 1 320 GLU n 1 321 MET n 1 322 GLN n 1 323 LYS n 1 324 TRP n 1 325 ILE n 1 326 PRO n 1 327 PRO n 1 328 TYR n 1 329 GLN n 1 330 GLY n 1 331 TYR n 1 332 ASN n 1 333 ASN n 1 334 SER n 1 335 VAL n 1 336 ASP n 1 337 PRO n 1 338 ARG n 1 339 ILE n 1 340 SER n 1 341 ASN n 1 342 VAL n 1 343 PHE n 1 344 THR n 1 345 PHE n 1 346 ALA n 1 347 PHE n 1 348 ARG n 1 349 PHE n 1 350 GLY n 1 351 HIS n 1 352 MET n 1 353 GLU n 1 354 VAL n 1 355 PRO n 1 356 SER n 1 357 THR n 1 358 VAL n 1 359 SER n 1 360 ARG n 1 361 LEU n 1 362 ASP n 1 363 GLU n 1 364 ASN n 1 365 TYR n 1 366 GLN n 1 367 PRO n 1 368 TRP n 1 369 GLY n 1 370 PRO n 1 371 GLU n 1 372 ALA n 1 373 GLU n 1 374 LEU n 1 375 PRO n 1 376 LEU n 1 377 HIS n 1 378 THR n 1 379 LEU n 1 380 PHE n 1 381 PHE n 1 382 ASN n 1 383 THR n 1 384 TRP n 1 385 ARG n 1 386 ILE n 1 387 ILE n 1 388 LYS n 1 389 ASP n 1 390 GLY n 1 391 GLY n 1 392 ILE n 1 393 ASP n 1 394 PRO n 1 395 LEU n 1 396 VAL n 1 397 ARG n 1 398 GLY n 1 399 LEU n 1 400 LEU n 1 401 ALA n 1 402 LYS n 1 403 LYS n 1 404 SER n 1 405 LYS n 1 406 LEU n 1 407 MET n 1 408 ASN n 1 409 GLN n 1 410 LYS n 1 411 LYS n 1 412 MET n 1 413 VAL n 1 414 THR n 1 415 SER n 1 416 GLU n 1 417 LEU n 1 418 ARG n 1 419 ASN n 1 420 LYS n 1 421 LEU n 1 422 PHE n 1 423 GLN n 1 424 PRO n 1 425 THR n 1 426 HIS n 1 427 LYS n 1 428 ILE n 1 429 HIS n 1 430 GLY n 1 431 PHE n 1 432 ASP n 1 433 LEU n 1 434 ALA n 1 435 ALA n 1 436 ILE n 1 437 ASN n 1 438 LEU n 1 439 GLN n 1 440 ARG n 1 441 CYS n 1 442 ARG n 1 443 ASP n 1 444 HIS n 1 445 GLY n 1 446 MET n 1 447 PRO n 1 448 GLY n 1 449 TYR n 1 450 ASN n 1 451 SER n 1 452 TRP n 1 453 ARG n 1 454 GLY n 1 455 PHE n 1 456 CYS n 1 457 GLY n 1 458 LEU n 1 459 SER n 1 460 GLN n 1 461 PRO n 1 462 LYS n 1 463 THR n 1 464 LEU n 1 465 LYS n 1 466 GLY n 1 467 LEU n 1 468 GLN n 1 469 THR n 1 470 VAL n 1 471 LEU n 1 472 LYS n 1 473 ASN n 1 474 LYS n 1 475 ILE n 1 476 LEU n 1 477 ALA n 1 478 LYS n 1 479 LYS n 1 480 LEU n 1 481 MET n 1 482 ASP n 1 483 LEU n 1 484 TYR n 1 485 LYS n 1 486 THR n 1 487 PRO n 1 488 ASP n 1 489 ASN n 1 490 ILE n 1 491 ASP n 1 492 ILE n 1 493 TRP n 1 494 ILE n 1 495 GLY n 1 496 GLY n 1 497 ASN n 1 498 ALA n 1 499 GLU n 1 500 PRO n 1 501 MET n 1 502 VAL n 1 503 GLU n 1 504 ARG n 1 505 GLY n 1 506 ARG n 1 507 VAL n 1 508 GLY n 1 509 PRO n 1 510 LEU n 1 511 LEU n 1 512 ALA n 1 513 CYS n 1 514 LEU n 1 515 LEU n 1 516 GLY n 1 517 ARG n 1 518 GLN n 1 519 PHE n 1 520 GLN n 1 521 GLN n 1 522 ILE n 1 523 ARG n 1 524 ASP n 1 525 GLY n 1 526 ASP n 1 527 ARG n 1 528 PHE n 1 529 TRP n 1 530 TRP n 1 531 GLU n 1 532 ASN n 1 533 PRO n 1 534 GLY n 1 535 VAL n 1 536 PHE n 1 537 THR n 1 538 GLU n 1 539 LYS n 1 540 GLN n 1 541 ARG n 1 542 ASP n 1 543 SER n 1 544 LEU n 1 545 GLN n 1 546 LYS n 1 547 MET n 1 548 SER n 1 549 PHE n 1 550 SER n 1 551 ARG n 1 552 LEU n 1 553 ILE n 1 554 CYS n 1 555 ASP n 1 556 ASN n 1 557 THR n 1 558 HIS n 1 559 ILE n 1 560 THR n 1 561 LYS n 1 562 VAL n 1 563 PRO n 1 564 LEU n 1 565 HIS n 1 566 ALA n 1 567 PHE n 1 568 GLN n 1 569 ALA n 1 570 ASN n 1 571 ASN n 1 572 TYR n 1 573 PRO n 1 574 HIS n 1 575 ASP n 1 576 PHE n 1 577 VAL n 1 578 ASP n 1 579 CYS n 1 580 SER n 1 581 THR n 1 582 VAL n 1 583 ASP n 1 584 LYS n 1 585 LEU n 1 586 ASP n 1 587 LEU n 1 588 SER n 1 589 PRO n 1 590 TRP n 1 591 ALA n 1 592 SER n 1 593 ARG n 1 594 GLU n 1 595 ASN 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 595 _entity_src_gen.gene_src_common_name Bovine _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene LPO _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 'Bos taurus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9913 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Bos taurus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9913 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PERL_BOVIN _struct_ref.pdbx_db_accession P80025 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFI NTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHIT KVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _struct_ref.pdbx_align_begin 118 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5B72 _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 595 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P80025 _struct_ref_seq.db_align_beg 118 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 712 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 595 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5B72 SER A 220 ? UNP P80025 TRP 337 'engineered mutation' 220 1 1 5B72 SER A 254 ? UNP P80025 PHE 371 'engineered mutation' 254 2 1 5B72 LYS A 410 ? UNP P80025 ASP 527 'engineered mutation' 410 3 1 5B72 MET A 547 ? UNP P80025 VAL 664 'engineered mutation' 547 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 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 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 OSM non-polymer . '1-(OXIDOSULFANYL)METHANAMINE' ? 'C H5 N O S' 79.122 PGE non-polymer . 'TRIETHYLENE GLYCOL' ? 'C6 H14 O4' 150.173 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SEP 'L-peptide linking' n PHOSPHOSERINE PHOSPHONOSERINE 'C3 H8 N O6 P' 185.072 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5B72 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.23 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 44.89 _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, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.8 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2M AMMONIUM IODIDE, 20% PEG3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, 298K.' _exptl_crystal_grow.pdbx_pH_range 5-8 # _diffrn.ambient_environment ? _diffrn.ambient_temp 291 _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 MIRROR _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type MARRESEARCH _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-09-30 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.98 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.98 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate 27.5 _reflns.entry_id 5B72 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.98 _reflns.d_resolution_low 72.39 _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 41631 _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 96.7 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.15 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 11.5 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.98 _reflns_shell.d_res_low 2.01 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.1 _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 69.1 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.66 _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 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5B72 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 39591 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 72.39 _refine.ls_d_res_high 1.98 _refine.ls_percent_reflns_obs 95.84 _refine.ls_R_factor_obs 0.18993 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18804 _refine.ls_R_factor_R_free 0.23508 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.0 _refine.ls_number_reflns_R_free 1655 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.954 _refine.correlation_coeff_Fo_to_Fc_free 0.931 _refine.B_iso_mean 39.576 _refine.aniso_B[1][1] 0.73 _refine.aniso_B[2][2] -1.88 _refine.aniso_B[3][3] 1.62 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.30 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 4S0Y _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.201 _refine.pdbx_overall_ESU_R_Free 0.173 _refine.overall_SU_ML 0.145 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 5.456 _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 4763 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 152 _refine_hist.number_atoms_solvent 262 _refine_hist.number_atoms_total 5177 _refine_hist.d_res_high 1.98 _refine_hist.d_res_low 72.39 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.017 0.019 ? 5059 'X-RAY DIFFRACTION' ? r_bond_other_d 0.004 0.020 ? 4749 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.062 1.989 ? 6858 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.182 3.000 ? 10931 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.501 5.000 ? 594 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.686 23.755 ? 237 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.325 15.000 ? 831 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 15.408 15.000 ? 38 'X-RAY DIFFRACTION' ? r_chiral_restr 0.129 0.200 ? 725 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.010 0.021 ? 5662 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.005 0.020 ? 1198 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 3.571 3.766 ? 2383 'X-RAY DIFFRACTION' ? r_mcbond_other 3.569 3.763 ? 2381 'X-RAY DIFFRACTION' ? r_mcangle_it 5.651 5.635 ? 2973 'X-RAY DIFFRACTION' ? r_mcangle_other 5.649 5.640 ? 2973 'X-RAY DIFFRACTION' ? r_scbond_it 4.201 4.108 ? 2676 'X-RAY DIFFRACTION' ? r_scbond_other 4.200 4.108 ? 2677 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 6.498 6.045 ? 3886 'X-RAY DIFFRACTION' ? r_long_range_B_refined 10.908 34.548 ? 24490 'X-RAY DIFFRACTION' ? r_long_range_B_other 10.885 34.537 ? 24373 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.979 _refine_ls_shell.d_res_low 2.030 _refine_ls_shell.number_reflns_R_work 2038 _refine_ls_shell.R_factor_R_work 0.289 _refine_ls_shell.percent_reflns_obs 67.36 _refine_ls_shell.R_factor_R_free 0.363 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 98 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 5B72 _struct.title 'Crystal structure of bovine lactoperoxidase with a broken covalent bond between Glu258 and heme moiety at 1.98 A resolution.' _struct.pdbx_descriptor 'Lactoperoxidase (E.C.1.11.1.7)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5B72 _struct_keywords.text OXIDOREDUCTASE _struct_keywords.pdbx_keywords OXIDOREDUCTASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 5 ? H N N 5 ? I N N 6 ? J N N 6 ? K N N 6 ? L N N 6 ? M N N 6 ? N N N 7 ? O N N 4 ? P N N 4 ? Q N N 4 ? R N N 4 ? S N N 4 ? T N N 4 ? U N N 8 ? V N N 9 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LEU A 74 ? VAL A 83 ? LEU A 74 VAL A 83 1 ? 10 HELX_P HELX_P2 AA2 LEU A 98 ? ASP A 112 ? LEU A 98 ASP A 112 1 ? 15 HELX_P HELX_P3 AA3 HIS A 124 ? CYS A 133 ? HIS A 124 CYS A 133 1 ? 10 HELX_P HELX_P4 AA4 ASP A 148 ? THR A 153 ? ASP A 148 THR A 153 5 ? 6 HELX_P HELX_P5 AA5 ALA A 189 ? GLY A 194 ? ALA A 189 GLY A 194 1 ? 6 HELX_P HELX_P6 AA6 GLU A 196 ? ARG A 204 ? GLU A 196 ARG A 204 1 ? 9 HELX_P HELX_P7 AA7 SER A 235 ? ASN A 241 ? SER A 235 ASN A 241 1 ? 7 HELX_P HELX_P8 AA8 GLN A 259 ? ASN A 284 ? GLN A 259 ASN A 284 1 ? 26 HELX_P HELX_P9 AA9 ASN A 288 ? ASP A 311 ? ASN A 288 ASP A 311 1 ? 24 HELX_P HELX_P10 AB1 TYR A 312 ? GLY A 318 ? TYR A 312 GLY A 318 1 ? 7 HELX_P HELX_P11 AB2 GLU A 320 ? ILE A 325 ? GLU A 320 ILE A 325 1 ? 6 HELX_P HELX_P12 AB3 SER A 340 ? PHE A 347 ? SER A 340 PHE A 347 1 ? 8 HELX_P HELX_P13 AB4 ARG A 348 ? VAL A 354 ? ARG A 348 VAL A 354 5 ? 7 HELX_P HELX_P14 AB5 HIS A 377 ? PHE A 380 ? HIS A 377 PHE A 380 5 ? 4 HELX_P HELX_P15 AB6 THR A 383 ? LYS A 388 ? THR A 383 LYS A 388 1 ? 6 HELX_P HELX_P16 AB7 ILE A 392 ? LYS A 402 ? ILE A 392 LYS A 402 1 ? 11 HELX_P HELX_P17 AB8 THR A 414 ? ASN A 419 ? THR A 414 ASN A 419 1 ? 6 HELX_P HELX_P18 AB9 ASP A 432 ? HIS A 444 ? ASP A 432 HIS A 444 1 ? 13 HELX_P HELX_P19 AC1 GLY A 448 ? CYS A 456 ? GLY A 448 CYS A 456 1 ? 9 HELX_P HELX_P20 AC2 THR A 463 ? LYS A 472 ? THR A 463 LYS A 472 1 ? 10 HELX_P HELX_P21 AC3 ASN A 473 ? LYS A 485 ? ASN A 473 LYS A 485 1 ? 13 HELX_P HELX_P22 AC4 THR A 486 ? ILE A 490 ? THR A 486 ILE A 490 5 ? 5 HELX_P HELX_P23 AC5 ASP A 491 ? GLU A 499 ? ASP A 491 GLU A 499 1 ? 9 HELX_P HELX_P24 AC6 GLY A 508 ? GLY A 525 ? GLY A 508 GLY A 525 1 ? 18 HELX_P HELX_P25 AC7 THR A 537 ? GLN A 545 ? THR A 537 GLN A 545 1 ? 9 HELX_P HELX_P26 AC8 SER A 548 ? THR A 557 ? SER A 548 THR A 557 1 ? 10 HELX_P HELX_P27 AC9 SER A 580 ? VAL A 582 ? SER A 580 VAL A 582 5 ? 3 HELX_P HELX_P28 AD1 LEU A 587 ? ALA A 591 ? LEU A 587 ALA A 591 5 ? 5 # _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 6 SG ? ? ? 1_555 A CYS 167 SG ? ? A CYS 6 A CYS 167 1_555 ? ? ? ? ? ? ? 2.027 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 15 A CYS 28 1_555 ? ? ? ? ? ? ? 1.976 ? disulf3 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 129 A CYS 139 1_555 ? ? ? ? ? ? ? 2.040 ? disulf4 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 133 A CYS 157 1_555 ? ? ? ? ? ? ? 2.059 ? disulf5 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 248 SG ? ? A CYS 237 A CYS 248 1_555 ? ? ? ? ? ? ? 2.099 ? disulf6 disulf ? ? A CYS 456 SG ? ? ? 1_555 A CYS 513 SG ? ? A CYS 456 A CYS 513 1_555 ? ? ? ? ? ? ? 2.052 ? disulf7 disulf ? ? A CYS 554 SG ? ? ? 1_555 A CYS 579 SG ? ? A CYS 554 A CYS 579 1_555 ? ? ? ? ? ? ? 2.104 ? covale1 covale one ? A ASN 95 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 95 A NAG 808 1_555 ? ? ? ? ? ? ? 1.467 ? covale2 covale none ? A ASP 108 OD2 ? ? ? 1_555 U HEM . CMD ? ? A ASP 108 A HEM 820 1_555 ? ? ? ? ? ? ? 1.512 ? metalc1 metalc ? ? A ASP 110 O ? ? ? 1_555 N CA . CA ? ? A ASP 110 A CA 813 1_555 ? ? ? ? ? ? ? 2.334 ? metalc2 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 110 A CA 813 1_555 ? ? ? ? ? ? ? 2.298 ? metalc3 metalc ? ? A THR 184 O ? ? ? 1_555 N CA . CA ? ? A THR 184 A CA 813 1_555 ? ? ? ? ? ? ? 2.495 ? metalc4 metalc ? ? A THR 184 OG1 ? ? ? 1_555 N CA . CA ? ? A THR 184 A CA 813 1_555 ? ? ? ? ? ? ? 2.509 ? metalc5 metalc ? ? A PHE 186 O ? ? ? 1_555 N CA . CA ? ? A PHE 186 A CA 813 1_555 ? ? ? ? ? ? ? 2.326 ? metalc6 metalc ? ? A ASP 188 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 188 A CA 813 1_555 ? ? ? ? ? ? ? 2.367 ? metalc7 metalc ? ? A SER 190 OG ? ? ? 1_555 N CA . CA ? ? A SER 190 A CA 813 1_555 ? ? ? ? ? ? ? 2.498 ? covale3 covale both ? A PRO 197 C ? ? ? 1_555 A SEP 198 N ? ? A PRO 197 A SEP 198 1_555 ? ? ? ? ? ? ? 1.372 ? covale4 covale both ? A SEP 198 C ? ? ? 1_555 A LEU 199 N ? ? A SEP 198 A LEU 199 1_555 ? ? ? ? ? ? ? 1.318 ? covale5 covale one ? A ASN 205 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 205 A NAG 809 1_555 ? ? ? ? ? ? ? 1.436 ? covale6 covale one ? A ASN 241 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 241 A NAG 810 1_555 ? ? ? ? ? ? ? 1.418 ? covale7 covale one ? A ASN 332 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 332 A NAG 812 1_555 ? ? ? ? ? ? ? 1.455 ? metalc8 metalc ? ? A HIS 351 NE2 ? ? ? 1_555 U HEM . FE ? ? A HIS 351 A HEM 820 1_555 ? ? ? ? ? ? ? 2.353 ? covale8 covale both ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 810 A NAG 811 1_555 ? ? ? ? ? ? ? 1.433 ? metalc9 metalc ? ? U HEM . FE ? ? ? 1_555 V HOH . O ? ? A HEM 820 A HOH 952 1_555 ? ? ? ? ? ? ? 2.612 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 CYS 6 A . ? CYS 6 A GLY 7 A ? GLY 7 A 1 -22.23 2 TYR 172 A . ? TYR 172 A GLN 173 A ? GLN 173 A 1 2.09 3 LYS 233 A . ? LYS 233 A PRO 234 A ? PRO 234 A 1 1.20 4 TYR 572 A . ? TYR 572 A PRO 573 A ? PRO 573 A 1 -1.12 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? 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 ARG A 41 ? ALA A 42 ? ARG A 41 ALA A 42 AA1 2 ILE A 180 ? ASN A 181 ? ILE A 180 ASN A 181 AA2 1 LEU A 92 ? SER A 97 ? LEU A 92 SER A 97 AA2 2 LYS A 403 ? LYS A 405 ? LYS A 403 LYS A 405 AA3 1 ILE A 142 ? MET A 143 ? ILE A 142 MET A 143 AA3 2 CYS A 157 ? MET A 158 ? CYS A 157 MET A 158 AA4 1 THR A 357 ? SER A 359 ? THR A 357 SER A 359 AA4 2 GLU A 373 ? PRO A 375 ? GLU A 373 PRO A 375 AA5 1 LYS A 561 ? PRO A 563 ? LYS A 561 PRO A 563 AA5 2 PHE A 576 ? ASP A 578 ? PHE A 576 ASP A 578 # 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 N ARG A 41 ? N ARG A 41 O ASN A 181 ? O ASN A 181 AA2 1 2 N ASP A 93 ? N ASP A 93 O SER A 404 ? O SER A 404 AA3 1 2 N ILE A 142 ? N ILE A 142 O MET A 158 ? O MET A 158 AA4 1 2 N VAL A 358 ? N VAL A 358 O LEU A 374 ? O LEU A 374 AA5 1 2 N VAL A 562 ? N VAL A 562 O VAL A 577 ? O VAL A 577 # 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 SO4 801 ? 5 'binding site for residue SO4 A 801' AC2 Software A OSM 802 ? 3 'binding site for residue OSM A 802' AC3 Software A IOD 803 ? 2 'binding site for residue IOD A 803' AC4 Software A IOD 804 ? 2 'binding site for residue IOD A 804' AC5 Software A IOD 805 ? 2 'binding site for residue IOD A 805' AC6 Software A PGE 806 ? 7 'binding site for residue PGE A 806' AC7 Software A PGE 807 ? 3 'binding site for residue PGE A 807' AC8 Software A CA 813 ? 5 'binding site for residue CA A 813' AC9 Software A IOD 814 ? 1 'binding site for residue IOD A 814' AD1 Software A IOD 816 ? 1 'binding site for residue IOD A 816' AD2 Software A IOD 817 ? 2 'binding site for residue IOD A 817' AD3 Software A IOD 818 ? 1 'binding site for residue IOD A 818' AD4 Software A IOD 819 ? 3 'binding site for residue IOD A 819' AD5 Software A HEM 820 ? 20 'binding site for residue HEM A 820' AD6 Software A NAG 808 ? 5 'binding site for Mono-Saccharide NAG A 808 bound to ASN A 95' AD7 Software A NAG 809 ? 8 'binding site for Mono-Saccharide NAG A 809 bound to ASN A 205' AD8 Software A ASN 241 ? 5 'binding site for Poly-Saccharide residues NAG A 810 through NAG A 811 bound to ASN A 241' AD9 Software A NAG 812 ? 2 'binding site for Mono-Saccharide NAG A 812 bound to ASN A 332' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 ASN A 95 ? ASN A 95 . ? 1_555 ? 2 AC1 5 ARG A 96 ? ARG A 96 . ? 1_555 ? 3 AC1 5 ARG A 506 ? ARG A 506 . ? 1_555 ? 4 AC1 5 NAG I . ? NAG A 808 . ? 1_555 ? 5 AC1 5 HOH V . ? HOH A 1050 . ? 1_555 ? 6 AC2 3 ILE A 24 ? ILE A 24 . ? 1_555 ? 7 AC2 3 THR A 25 ? THR A 25 . ? 1_555 ? 8 AC2 3 PGE G . ? PGE A 806 . ? 1_555 ? 9 AC3 2 TRP A 46 ? TRP A 46 . ? 1_555 ? 10 AC3 2 VAL A 342 ? VAL A 342 . ? 1_555 ? 11 AC4 2 ARG A 453 ? ARG A 453 . ? 1_555 ? 12 AC4 2 IOD F . ? IOD A 805 . ? 1_555 ? 13 AC5 2 SER A 459 ? SER A 459 . ? 1_555 ? 14 AC5 2 IOD E . ? IOD A 804 . ? 1_555 ? 15 AC6 7 PRO A 197 ? PRO A 197 . ? 1_555 ? 16 AC6 7 SER A 201 ? SER A 201 . ? 1_555 ? 17 AC6 7 LYS A 472 ? LYS A 472 . ? 1_455 ? 18 AC6 7 PRO A 500 ? PRO A 500 . ? 1_455 ? 19 AC6 7 MET A 501 ? MET A 501 . ? 1_455 ? 20 AC6 7 OSM C . ? OSM A 802 . ? 1_555 ? 21 AC6 7 HOH V . ? HOH A 993 . ? 1_555 ? 22 AC7 3 SER A 459 ? SER A 459 . ? 1_555 ? 23 AC7 3 GLN A 460 ? GLN A 460 . ? 1_555 ? 24 AC7 3 VAL A 470 ? VAL A 470 . ? 1_555 ? 25 AC8 5 ASP A 110 ? ASP A 110 . ? 1_555 ? 26 AC8 5 THR A 184 ? THR A 184 . ? 1_555 ? 27 AC8 5 PHE A 186 ? PHE A 186 . ? 1_555 ? 28 AC8 5 ASP A 188 ? ASP A 188 . ? 1_555 ? 29 AC8 5 SER A 190 ? SER A 190 . ? 1_555 ? 30 AC9 1 ASN A 80 ? ASN A 80 . ? 1_555 ? 31 AD1 1 ARG A 397 ? ARG A 397 . ? 1_555 ? 32 AD2 2 LYS A 462 ? LYS A 462 . ? 1_555 ? 33 AD2 2 THR A 463 ? THR A 463 . ? 1_555 ? 34 AD3 1 SER A 359 ? SER A 359 . ? 1_555 ? 35 AD4 3 GLU A 196 ? GLU A 196 . ? 1_655 ? 36 AD4 3 SEP A 198 ? SEP A 198 . ? 1_655 ? 37 AD4 3 GLN A 468 ? GLN A 468 . ? 1_555 ? 38 AD5 20 MET A 101 ? MET A 101 . ? 1_555 ? 39 AD5 20 GLY A 104 ? GLY A 104 . ? 1_555 ? 40 AD5 20 GLN A 105 ? GLN A 105 . ? 1_555 ? 41 AD5 20 ASP A 108 ? ASP A 108 . ? 1_555 ? 42 AD5 20 ASP A 112 ? ASP A 112 . ? 1_555 ? 43 AD5 20 ALA A 114 ? ALA A 114 . ? 1_555 ? 44 AD5 20 GLU A 258 ? GLU A 258 . ? 1_555 ? 45 AD5 20 GLN A 259 ? GLN A 259 . ? 1_555 ? 46 AD5 20 THR A 344 ? THR A 344 . ? 1_555 ? 47 AD5 20 PHE A 347 ? PHE A 347 . ? 1_555 ? 48 AD5 20 ARG A 348 ? ARG A 348 . ? 1_555 ? 49 AD5 20 GLY A 350 ? GLY A 350 . ? 1_555 ? 50 AD5 20 HIS A 351 ? HIS A 351 . ? 1_555 ? 51 AD5 20 PHE A 380 ? PHE A 380 . ? 1_555 ? 52 AD5 20 ILE A 436 ? ILE A 436 . ? 1_555 ? 53 AD5 20 ARG A 440 ? ARG A 440 . ? 1_555 ? 54 AD5 20 HOH V . ? HOH A 909 . ? 1_555 ? 55 AD5 20 HOH V . ? HOH A 922 . ? 1_555 ? 56 AD5 20 HOH V . ? HOH A 948 . ? 1_555 ? 57 AD5 20 HOH V . ? HOH A 952 . ? 1_555 ? 58 AD6 5 ASN A 95 ? ASN A 95 . ? 1_555 ? 59 AD6 5 ARG A 96 ? ARG A 96 . ? 1_555 ? 60 AD6 5 PRO A 209 ? PRO A 209 . ? 1_655 ? 61 AD6 5 ILE A 315 ? ILE A 315 . ? 1_555 ? 62 AD6 5 SO4 B . ? SO4 A 801 . ? 1_555 ? 63 AD7 8 ASN A 205 ? ASN A 205 . ? 1_555 ? 64 AD7 8 SER A 208 ? SER A 208 . ? 1_555 ? 65 AD7 8 ALA A 214 ? ALA A 214 . ? 1_555 ? 66 AD7 8 VAL A 215 ? VAL A 215 . ? 1_555 ? 67 AD7 8 GLN A 217 ? GLN A 217 . ? 1_555 ? 68 AD7 8 HOH V . ? HOH A 994 . ? 1_555 ? 69 AD7 8 HOH V . ? HOH A 996 . ? 1_555 ? 70 AD7 8 HOH V . ? HOH A 1091 . ? 1_555 ? 71 AD8 5 ASN A 241 ? ASN A 241 . ? 1_555 ? 72 AD8 5 ALA A 244 ? ALA A 244 . ? 1_555 ? 73 AD8 5 TRP A 384 ? TRP A 384 . ? 1_555 ? 74 AD8 5 LYS A 388 ? LYS A 388 . ? 1_555 ? 75 AD8 5 HOH V . ? HOH A 968 . ? 1_555 ? 76 AD9 2 ASN A 332 ? ASN A 332 . ? 1_555 ? 77 AD9 2 HOH V . ? HOH A 928 . ? 1_555 ? # _atom_sites.entry_id 5B72 _atom_sites.fract_transf_matrix[1][1] 0.018571 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005120 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012470 _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] 0.013815 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA FE I N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? -25.578 -34.835 30.691 1.00 108.29 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? -26.788 -34.233 31.336 1.00 113.22 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? -26.651 -32.721 31.537 1.00 119.39 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? -26.504 -32.267 32.674 1.00 114.20 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? -27.057 -34.912 32.687 1.00 113.52 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? -27.156 -36.313 32.534 1.00 112.41 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? -26.714 -31.949 30.443 1.00 129.13 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? -26.433 -30.503 30.501 1.00 134.56 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? -27.445 -29.859 31.426 1.00 139.75 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? -28.661 -29.982 31.224 1.00 138.18 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? -26.428 -29.808 29.110 1.00 132.72 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? -25.477 -28.589 28.984 1.00 133.80 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? -24.408 -28.271 29.804 1.00 135.20 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? -25.497 -27.573 27.960 1.00 132.84 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? -23.793 -27.123 29.363 1.00 133.35 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? -24.435 -26.674 28.238 1.00 132.75 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? -26.316 -27.327 26.845 1.00 127.91 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? -24.172 -25.548 27.440 1.00 127.91 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? -26.051 -26.204 26.048 1.00 127.95 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? -24.991 -25.329 26.356 1.00 126.22 ? 2 TRP A CH2 1 ATOM 21 N N . GLU A 1 3 ? -26.929 -29.206 32.465 1.00 149.82 ? 3 GLU A N 1 ATOM 22 C CA . GLU A 1 3 ? -27.763 -28.474 33.414 1.00 153.19 ? 3 GLU A CA 1 ATOM 23 C C . GLU A 1 3 ? -28.196 -27.246 32.621 1.00 160.54 ? 3 GLU A C 1 ATOM 24 O O . GLU A 1 3 ? -27.826 -26.111 32.935 1.00 170.11 ? 3 GLU A O 1 ATOM 25 C CB . GLU A 1 3 ? -27.054 -28.103 34.740 1.00 150.51 ? 3 GLU A CB 1 ATOM 26 C CG . GLU A 1 3 ? -25.684 -28.723 35.042 1.00 150.14 ? 3 GLU A CG 1 ATOM 27 C CD . GLU A 1 3 ? -24.536 -28.088 34.262 1.00 151.99 ? 3 GLU A CD 1 ATOM 28 O OE1 . GLU A 1 3 ? -24.762 -27.108 33.523 1.00 152.69 ? 3 GLU A OE1 1 ATOM 29 O OE2 . GLU A 1 3 ? -23.391 -28.571 34.389 1.00 150.91 ? 3 GLU A OE2 1 ATOM 30 N N . VAL A 1 4 ? -28.963 -27.530 31.567 1.00 160.01 ? 4 VAL A N 1 ATOM 31 C CA . VAL A 1 4 ? -29.466 -26.555 30.621 1.00 159.71 ? 4 VAL A CA 1 ATOM 32 C C . VAL A 1 4 ? -30.963 -26.629 30.858 1.00 158.35 ? 4 VAL A C 1 ATOM 33 O O . VAL A 1 4 ? -31.532 -27.724 30.904 1.00 154.63 ? 4 VAL A O 1 ATOM 34 C CB . VAL A 1 4 ? -29.059 -26.850 29.144 1.00 160.49 ? 4 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 4 ? -29.617 -28.172 28.615 1.00 161.21 ? 4 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 4 ? -29.507 -25.703 28.242 1.00 156.05 ? 4 VAL A CG2 1 ATOM 37 N N . GLY A 1 5 ? -31.584 -25.468 31.027 1.00 161.40 ? 5 GLY A N 1 ATOM 38 C CA . GLY A 1 5 ? -32.927 -25.381 31.600 1.00 164.11 ? 5 GLY A CA 1 ATOM 39 C C . GLY A 1 5 ? -33.036 -24.541 32.864 1.00 164.07 ? 5 GLY A C 1 ATOM 40 O O . GLY A 1 5 ? -33.974 -24.727 33.643 1.00 157.84 ? 5 GLY A O 1 ATOM 41 N N . CYS A 1 6 ? -32.061 -23.661 33.104 1.00 168.93 ? 6 CYS A N 1 ATOM 42 C CA . CYS A 1 6 ? -32.298 -22.416 33.855 1.00 166.77 ? 6 CYS A CA 1 ATOM 43 C C . CYS A 1 6 ? -32.169 -21.253 32.865 1.00 173.66 ? 6 CYS A C 1 ATOM 44 O O . CYS A 1 6 ? -31.426 -21.366 31.889 1.00 174.12 ? 6 CYS A O 1 ATOM 45 C CB . CYS A 1 6 ? -31.305 -22.206 35.011 1.00 158.18 ? 6 CYS A CB 1 ATOM 46 S SG . CYS A 1 6 ? -30.953 -20.458 35.396 1.00 149.35 ? 6 CYS A SG 1 ATOM 47 N N . GLY A 1 7 ? -32.905 -20.158 33.050 1.00 182.74 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -34.151 -20.093 33.819 1.00 183.36 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -35.299 -19.938 32.824 1.00 180.98 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -35.076 -19.918 31.610 1.00 181.48 ? 7 GLY A O 1 ATOM 51 N N . ALA A 1 8 ? -36.527 -19.820 33.337 1.00 172.80 ? 8 ALA A N 1 ATOM 52 C CA . ALA A 1 8 ? -37.709 -19.469 32.521 1.00 168.19 ? 8 ALA A CA 1 ATOM 53 C C . ALA A 1 8 ? -37.591 -18.124 31.756 1.00 176.61 ? 8 ALA A C 1 ATOM 54 O O . ALA A 1 8 ? -37.640 -18.130 30.519 1.00 183.48 ? 8 ALA A O 1 ATOM 55 C CB . ALA A 1 8 ? -38.973 -19.489 33.374 1.00 156.80 ? 8 ALA A CB 1 ATOM 56 N N . PRO A 1 9 ? -37.395 -16.983 32.470 1.00 176.51 ? 9 PRO A N 1 ATOM 57 C CA . PRO A 1 9 ? -37.375 -15.665 31.858 1.00 171.55 ? 9 PRO A CA 1 ATOM 58 C C . PRO A 1 9 ? -38.227 -15.366 30.605 1.00 162.81 ? 9 PRO A C 1 ATOM 59 O O . PRO A 1 9 ? -39.463 -15.458 30.675 1.00 162.38 ? 9 PRO A O 1 ATOM 60 C CB . PRO A 1 9 ? -35.864 -15.487 31.649 1.00 166.80 ? 9 PRO A CB 1 ATOM 61 C CG . PRO A 1 9 ? -35.284 -16.186 32.858 1.00 164.48 ? 9 PRO A CG 1 ATOM 62 C CD . PRO A 1 9 ? -36.425 -16.887 33.567 1.00 172.96 ? 9 PRO A CD 1 ATOM 63 N N . VAL A 1 10 ? -37.588 -14.954 29.510 1.00 144.40 ? 10 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -38.302 -14.645 28.283 1.00 129.86 ? 10 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -39.110 -15.846 27.788 1.00 127.62 ? 10 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -38.603 -16.979 27.814 1.00 124.14 ? 10 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -37.369 -14.145 27.153 1.00 118.19 ? 10 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -36.760 -12.806 27.527 1.00 113.89 ? 10 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -36.282 -15.166 26.805 1.00 115.24 ? 10 VAL A CG2 1 ATOM 70 N N . PRO A 1 11 ? -40.378 -15.609 27.373 1.00 115.90 ? 11 PRO A N 1 ATOM 71 C CA . PRO A 1 11 ? -41.151 -16.656 26.711 1.00 111.31 ? 11 PRO A CA 1 ATOM 72 C C . PRO A 1 11 ? -40.278 -17.334 25.660 1.00 116.76 ? 11 PRO A C 1 ATOM 73 O O . PRO A 1 11 ? -39.722 -16.647 24.795 1.00 124.08 ? 11 PRO A O 1 ATOM 74 C CB . PRO A 1 11 ? -42.321 -15.895 26.064 1.00 103.76 ? 11 PRO A CB 1 ATOM 75 C CG . PRO A 1 11 ? -42.257 -14.498 26.572 1.00 98.39 ? 11 PRO A CG 1 ATOM 76 C CD . PRO A 1 11 ? -41.198 -14.409 27.614 1.00 103.75 ? 11 PRO A CD 1 ATOM 77 N N . LEU A 1 12 ? -40.140 -18.654 25.749 1.00 106.29 ? 12 LEU A N 1 ATOM 78 C CA . LEU A 1 12 ? -39.104 -19.362 25.001 1.00 101.55 ? 12 LEU A CA 1 ATOM 79 C C . LEU A 1 12 ? -39.541 -19.714 23.556 1.00 100.47 ? 12 LEU A C 1 ATOM 80 O O . LEU A 1 12 ? -39.809 -20.873 23.243 1.00 104.33 ? 12 LEU A O 1 ATOM 81 C CB . LEU A 1 12 ? -38.605 -20.577 25.807 1.00 99.01 ? 12 LEU A CB 1 ATOM 82 C CG . LEU A 1 12 ? -37.987 -20.212 27.185 1.00 92.25 ? 12 LEU A CG 1 ATOM 83 C CD1 . LEU A 1 12 ? -39.017 -20.298 28.307 1.00 89.75 ? 12 LEU A CD1 1 ATOM 84 C CD2 . LEU A 1 12 ? -36.780 -21.082 27.547 1.00 84.32 ? 12 LEU A CD2 1 ATOM 85 N N . VAL A 1 13 ? -39.601 -18.665 22.718 1.00 96.13 ? 13 VAL A N 1 ATOM 86 C CA . VAL A 1 13 ? -39.899 -18.639 21.228 1.00 99.22 ? 13 VAL A CA 1 ATOM 87 C C . VAL A 1 13 ? -41.360 -18.760 20.674 1.00 117.90 ? 13 VAL A C 1 ATOM 88 O O . VAL A 1 13 ? -42.266 -19.286 21.342 1.00 126.47 ? 13 VAL A O 1 ATOM 89 C CB . VAL A 1 13 ? -38.935 -19.505 20.352 1.00 89.35 ? 13 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 13 ? -37.522 -19.538 20.941 1.00 84.61 ? 13 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 13 ? -39.496 -20.900 20.049 1.00 88.71 ? 13 VAL A CG2 1 ATOM 92 N N . LYS A 1 14 ? -41.549 -18.258 19.439 1.00 118.18 ? 14 LYS A N 1 ATOM 93 C CA . LYS A 1 14 ? -42.697 -18.612 18.581 1.00 107.02 ? 14 LYS A CA 1 ATOM 94 C C . LYS A 1 14 ? -42.464 -18.372 17.075 1.00 99.36 ? 14 LYS A C 1 ATOM 95 O O . LYS A 1 14 ? -42.520 -17.232 16.606 1.00 89.55 ? 14 LYS A O 1 ATOM 96 C CB . LYS A 1 14 ? -43.972 -17.890 19.028 1.00 102.80 ? 14 LYS A CB 1 ATOM 97 C CG . LYS A 1 14 ? -45.232 -18.502 18.437 1.00 101.93 ? 14 LYS A CG 1 ATOM 98 C CD . LYS A 1 14 ? -45.236 -20.024 18.509 1.00 98.97 ? 14 LYS A CD 1 ATOM 99 C CE . LYS A 1 14 ? -44.848 -20.537 19.897 1.00 96.15 ? 14 LYS A CE 1 ATOM 100 N NZ . LYS A 1 14 ? -45.458 -21.861 20.164 1.00 98.32 ? 14 LYS A NZ 1 ATOM 101 N N . CYS A 1 15 ? -42.240 -19.439 16.307 1.00 85.20 ? 15 CYS A N 1 ATOM 102 C CA . CYS A 1 15 ? -41.561 -19.270 15.016 1.00 76.52 ? 15 CYS A CA 1 ATOM 103 C C . CYS A 1 15 ? -42.429 -19.365 13.793 1.00 69.01 ? 15 CYS A C 1 ATOM 104 O O . CYS A 1 15 ? -43.158 -20.319 13.659 1.00 85.36 ? 15 CYS A O 1 ATOM 105 C CB . CYS A 1 15 ? -40.397 -20.271 14.895 1.00 75.42 ? 15 CYS A CB 1 ATOM 106 S SG . CYS A 1 15 ? -38.959 -19.844 15.926 1.00 74.09 ? 15 CYS A SG 1 ATOM 107 N N . ASP A 1 16 ? -42.356 -18.378 12.901 1.00 60.19 ? 16 ASP A N 1 ATOM 108 C CA . ASP A 1 16 ? -42.469 -18.679 11.475 1.00 60.67 ? 16 ASP A CA 1 ATOM 109 C C . ASP A 1 16 ? -41.039 -18.823 10.906 1.00 65.65 ? 16 ASP A C 1 ATOM 110 O O . ASP A 1 16 ? -40.453 -17.876 10.330 1.00 54.38 ? 16 ASP A O 1 ATOM 111 C CB . ASP A 1 16 ? -43.290 -17.680 10.671 1.00 59.46 ? 16 ASP A CB 1 ATOM 112 C CG . ASP A 1 16 ? -43.385 -18.071 9.166 1.00 71.61 ? 16 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 16 ? -43.043 -19.236 8.821 1.00 63.69 ? 16 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 16 ? -43.799 -17.218 8.332 1.00 75.96 ? 16 ASP A OD2 1 ATOM 115 N N . GLU A 1 17 ? -40.514 -20.037 11.080 1.00 64.83 ? 17 GLU A N 1 ATOM 116 C CA . GLU A 1 17 ? -39.292 -20.538 10.408 1.00 66.77 ? 17 GLU A CA 1 ATOM 117 C C . GLU A 1 17 ? -39.129 -20.103 8.944 1.00 61.05 ? 17 GLU A C 1 ATOM 118 O O . GLU A 1 17 ? -38.020 -19.839 8.518 1.00 55.21 ? 17 GLU A O 1 ATOM 119 C CB . GLU A 1 17 ? -39.229 -22.088 10.414 1.00 72.42 ? 17 GLU A CB 1 ATOM 120 C CG . GLU A 1 17 ? -39.285 -22.811 11.769 1.00 78.71 ? 17 GLU A CG 1 ATOM 121 C CD . GLU A 1 17 ? -38.161 -22.436 12.719 1.00 81.58 ? 17 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 17 ? -37.352 -21.559 12.377 1.00 80.98 ? 17 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 17 ? -38.075 -23.027 13.815 1.00 90.93 ? 17 GLU A OE2 1 ATOM 124 N N . ASN A 1 18 ? -40.216 -20.047 8.175 1.00 56.05 ? 18 ASN A N 1 ATOM 125 C CA . ASN A 1 18 ? -40.148 -19.670 6.758 1.00 55.01 ? 18 ASN A CA 1 ATOM 126 C C . ASN A 1 18 ? -40.284 -18.185 6.412 1.00 52.67 ? 18 ASN A C 1 ATOM 127 O O . ASN A 1 18 ? -40.184 -17.833 5.239 1.00 50.82 ? 18 ASN A O 1 ATOM 128 C CB . ASN A 1 18 ? -41.181 -20.482 5.967 1.00 61.08 ? 18 ASN A CB 1 ATOM 129 C CG . ASN A 1 18 ? -40.718 -21.897 5.701 1.00 65.43 ? 18 ASN A CG 1 ATOM 130 O OD1 . ASN A 1 18 ? -39.820 -22.402 6.368 1.00 61.20 ? 18 ASN A OD1 1 ATOM 131 N ND2 . ASN A 1 18 ? -41.326 -22.545 4.717 1.00 73.82 ? 18 ASN A ND2 1 ATOM 132 N N . SER A 1 19 ? -40.502 -17.305 7.392 1.00 50.69 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 19 ? -40.597 -15.862 7.078 1.00 46.17 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 19 ? -39.269 -15.326 6.495 1.00 44.78 ? 19 SER A C 1 ATOM 135 O O . SER A 1 19 ? -38.223 -15.640 7.043 1.00 47.20 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 19 ? -40.894 -15.066 8.333 1.00 44.34 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 19 ? -40.905 -13.687 8.026 1.00 48.62 ? 19 SER A OG 1 ATOM 138 N N . PRO A 1 20 ? -39.318 -14.490 5.427 1.00 38.81 ? 20 PRO A N 1 ATOM 139 C CA . PRO A 1 20 ? -38.100 -13.867 4.956 1.00 41.01 ? 20 PRO A CA 1 ATOM 140 C C . PRO A 1 20 ? -37.561 -12.715 5.863 1.00 37.63 ? 20 PRO A C 1 ATOM 141 O O . PRO A 1 20 ? -36.610 -12.074 5.450 1.00 41.67 ? 20 PRO A O 1 ATOM 142 C CB . PRO A 1 20 ? -38.549 -13.239 3.617 1.00 41.44 ? 20 PRO A CB 1 ATOM 143 C CG . PRO A 1 20 ? -39.949 -12.795 3.895 1.00 39.59 ? 20 PRO A CG 1 ATOM 144 C CD . PRO A 1 20 ? -40.506 -13.882 4.776 1.00 37.30 ? 20 PRO A CD 1 ATOM 145 N N . TYR A 1 21 ? -38.215 -12.393 6.987 1.00 33.84 ? 21 TYR A N 1 ATOM 146 C CA . TYR A 1 21 ? -37.826 -11.266 7.819 1.00 30.64 ? 21 TYR A CA 1 ATOM 147 C C . TYR A 1 21 ? -37.317 -11.793 9.116 1.00 30.17 ? 21 TYR A C 1 ATOM 148 O O . TYR A 1 21 ? -37.715 -12.870 9.553 1.00 34.44 ? 21 TYR A O 1 ATOM 149 C CB . TYR A 1 21 ? -38.983 -10.281 8.009 1.00 35.26 ? 21 TYR A CB 1 ATOM 150 C CG . TYR A 1 21 ? -39.520 -9.700 6.706 1.00 34.29 ? 21 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 21 ? -38.655 -9.193 5.739 1.00 37.96 ? 21 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? -40.864 -9.708 6.422 1.00 34.23 ? 21 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? -39.113 -8.720 4.523 1.00 36.03 ? 21 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? -41.347 -9.213 5.228 1.00 34.91 ? 21 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 21 ? -40.468 -8.725 4.264 1.00 38.44 ? 21 TYR A CZ 1 ATOM 156 O OH . TYR A 1 21 ? -40.947 -8.166 3.068 1.00 35.87 ? 21 TYR A OH 1 ATOM 157 N N . ARG A 1 22 ? -36.322 -11.114 9.678 1.00 27.58 ? 22 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? -35.859 -11.426 11.034 1.00 25.89 ? 22 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? -36.995 -11.173 12.015 1.00 23.88 ? 22 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? -37.678 -10.186 11.877 1.00 25.96 ? 22 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? -34.743 -10.487 11.476 1.00 24.02 ? 22 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? -33.501 -10.491 10.620 1.00 25.50 ? 22 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? -32.419 -9.657 11.253 1.00 26.24 ? 22 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? -31.162 -9.659 10.495 1.00 24.31 ? 22 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? -30.165 -10.499 10.649 1.00 23.21 ? 22 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? -30.218 -11.510 11.541 1.00 27.90 ? 22 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? -29.093 -10.347 9.889 1.00 24.86 ? 22 ARG A NH2 1 ATOM 168 N N . THR A 1 23 ? -37.102 -11.970 13.059 1.00 25.80 ? 23 THR A N 1 ATOM 169 C CA . THR A 1 23 ? -37.764 -11.488 14.289 1.00 26.33 ? 23 THR A CA 1 ATOM 170 C C . THR A 1 23 ? -37.055 -10.250 14.908 1.00 27.87 ? 23 THR A C 1 ATOM 171 O O . THR A 1 23 ? -35.931 -9.925 14.577 1.00 24.53 ? 23 THR A O 1 ATOM 172 C CB . THR A 1 23 ? -37.884 -12.563 15.379 1.00 26.26 ? 23 THR A CB 1 ATOM 173 O OG1 . THR A 1 23 ? -36.602 -12.980 15.853 1.00 24.58 ? 23 THR A OG1 1 ATOM 174 C CG2 . THR A 1 23 ? -38.671 -13.788 14.849 1.00 30.55 ? 23 THR A CG2 1 ATOM 175 N N . ILE A 1 24 ? -37.756 -9.581 15.819 1.00 30.38 ? 24 ILE A N 1 ATOM 176 C CA . ILE A 1 24 ? -37.169 -8.482 16.581 1.00 33.11 ? 24 ILE A CA 1 ATOM 177 C C . ILE A 1 24 ? -36.242 -9.082 17.649 1.00 32.04 ? 24 ILE A C 1 ATOM 178 O O . ILE A 1 24 ? -35.162 -8.551 17.876 1.00 32.14 ? 24 ILE A O 1 ATOM 179 C CB . ILE A 1 24 ? -38.285 -7.531 17.128 1.00 31.22 ? 24 ILE A CB 1 ATOM 180 C CG1 . ILE A 1 24 ? -38.667 -6.542 16.015 1.00 33.34 ? 24 ILE A CG1 1 ATOM 181 C CG2 . ILE A 1 24 ? -37.924 -6.808 18.441 1.00 29.40 ? 24 ILE A CG2 1 ATOM 182 C CD1 . ILE A 1 24 ? -37.613 -5.482 15.696 1.00 30.07 ? 24 ILE A CD1 1 ATOM 183 N N . THR A 1 25 ? -36.647 -10.210 18.241 1.00 31.50 ? 25 THR A N 1 ATOM 184 C CA . THR A 1 25 ? -35.894 -10.835 19.341 1.00 27.78 ? 25 THR A CA 1 ATOM 185 C C . THR A 1 25 ? -34.678 -11.586 18.919 1.00 28.50 ? 25 THR A C 1 ATOM 186 O O . THR A 1 25 ? -33.909 -11.952 19.787 1.00 28.03 ? 25 THR A O 1 ATOM 187 C CB . THR A 1 25 ? -36.730 -11.865 20.117 1.00 26.89 ? 25 THR A CB 1 ATOM 188 O OG1 . THR A 1 25 ? -37.319 -12.786 19.185 1.00 25.20 ? 25 THR A OG1 1 ATOM 189 C CG2 . THR A 1 25 ? -37.782 -11.149 20.918 1.00 28.44 ? 25 THR A CG2 1 ATOM 190 N N . GLY A 1 26 ? -34.517 -11.915 17.628 1.00 32.48 ? 26 GLY A N 1 ATOM 191 C CA . GLY A 1 26 ? -33.459 -12.901 17.254 1.00 29.12 ? 26 GLY A CA 1 ATOM 192 C C . GLY A 1 26 ? -33.821 -14.382 17.324 1.00 30.73 ? 26 GLY A C 1 ATOM 193 O O . GLY A 1 26 ? -33.060 -15.225 16.797 1.00 32.14 ? 26 GLY A O 1 ATOM 194 N N . ASP A 1 27 ? -35.000 -14.715 17.861 1.00 30.43 ? 27 ASP A N 1 ATOM 195 C CA . ASP A 1 27 ? -35.512 -16.086 17.779 1.00 30.12 ? 27 ASP A CA 1 ATOM 196 C C . ASP A 1 27 ? -35.833 -16.482 16.338 1.00 29.29 ? 27 ASP A C 1 ATOM 197 O O . ASP A 1 27 ? -36.172 -15.654 15.516 1.00 30.62 ? 27 ASP A O 1 ATOM 198 C CB . ASP A 1 27 ? -36.780 -16.239 18.615 1.00 32.63 ? 27 ASP A CB 1 ATOM 199 C CG . ASP A 1 27 ? -36.518 -16.002 20.089 1.00 35.48 ? 27 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 27 ? -35.683 -16.714 20.673 1.00 33.42 ? 27 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 27 ? -37.094 -15.048 20.643 1.00 39.52 ? 27 ASP A OD2 1 ATOM 202 N N . CYS A 1 28 ? -35.730 -17.763 16.056 1.00 30.50 ? 28 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? -36.107 -18.339 14.776 1.00 32.65 ? 28 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? -35.051 -18.124 13.670 1.00 32.51 ? 28 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? -35.279 -18.518 12.536 1.00 28.24 ? 28 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? -37.508 -17.881 14.300 1.00 39.91 ? 28 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -38.867 -17.910 15.529 1.00 56.46 ? 28 CYS A SG 1 ATOM 208 N N . ASN A 1 29 ? -33.910 -17.508 13.995 1.00 30.63 ? 29 ASN A N 1 ATOM 209 C CA . ASN A 1 29 ? -32.763 -17.403 13.076 1.00 28.66 ? 29 ASN A CA 1 ATOM 210 C C . ASN A 1 29 ? -32.222 -18.812 12.751 1.00 29.62 ? 29 ASN A C 1 ATOM 211 O O . ASN A 1 29 ? -32.192 -19.191 11.586 1.00 31.63 ? 29 ASN A O 1 ATOM 212 C CB . ASN A 1 29 ? -31.601 -16.534 13.661 1.00 24.88 ? 29 ASN A CB 1 ATOM 213 C CG . ASN A 1 29 ? -30.616 -16.083 12.590 1.00 23.18 ? 29 ASN A CG 1 ATOM 214 O OD1 . ASN A 1 29 ? -29.955 -16.894 11.957 1.00 22.34 ? 29 ASN A OD1 1 ATOM 215 N ND2 . ASN A 1 29 ? -30.522 -14.792 12.374 1.00 24.38 ? 29 ASN A ND2 1 ATOM 216 N N . ASN A 1 30 ? -31.773 -19.551 13.770 1.00 28.20 ? 30 ASN A N 1 ATOM 217 C CA . ASN A 1 30 ? -31.305 -20.929 13.603 1.00 29.76 ? 30 ASN A CA 1 ATOM 218 C C . ASN A 1 30 ? -32.503 -21.896 13.715 1.00 33.08 ? 30 ASN A C 1 ATOM 219 O O . ASN A 1 30 ? -33.259 -21.928 14.747 1.00 35.04 ? 30 ASN A O 1 ATOM 220 C CB . ASN A 1 30 ? -30.246 -21.261 14.667 1.00 31.81 ? 30 ASN A CB 1 ATOM 221 C CG . ASN A 1 30 ? -29.547 -22.552 14.403 1.00 33.04 ? 30 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 30 ? -30.160 -23.624 14.510 1.00 33.46 ? 30 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 30 ? -28.253 -22.484 14.072 1.00 32.02 ? 30 ASN A ND2 1 ATOM 224 N N . ARG A 1 31 ? -32.671 -22.708 12.682 1.00 33.14 ? 31 ARG A N 1 ATOM 225 C CA . ARG A 1 31 ? -33.829 -23.635 12.611 1.00 36.88 ? 31 ARG A CA 1 ATOM 226 C C . ARG A 1 31 ? -33.770 -24.733 13.656 1.00 36.17 ? 31 ARG A C 1 ATOM 227 O O . ARG A 1 31 ? -34.785 -25.049 14.279 1.00 48.24 ? 31 ARG A O 1 ATOM 228 C CB . ARG A 1 31 ? -33.996 -24.252 11.205 1.00 36.23 ? 31 ARG A CB 1 ATOM 229 C CG . ARG A 1 31 ? -34.621 -23.303 10.194 1.00 40.60 ? 31 ARG A CG 1 ATOM 230 C CD . ARG A 1 31 ? -34.979 -24.086 8.941 1.00 41.82 ? 31 ARG A CD 1 ATOM 231 N NE . ARG A 1 31 ? -35.485 -23.213 7.882 1.00 43.29 ? 31 ARG A NE 1 ATOM 232 C CZ . ARG A 1 31 ? -36.745 -23.138 7.430 1.00 39.95 ? 31 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 31 ? -37.765 -23.867 7.920 1.00 31.75 ? 31 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 31 ? -36.988 -22.281 6.447 1.00 43.25 ? 31 ARG A NH2 1 ATOM 235 N N . ARG A 1 32 ? -32.604 -25.266 13.927 1.00 35.94 ? 32 ARG A N 1 ATOM 236 C CA . ARG A 1 32 ? -32.532 -26.323 14.927 1.00 39.53 ? 32 ARG A CA 1 ATOM 237 C C . ARG A 1 32 ? -32.414 -25.899 16.421 1.00 43.89 ? 32 ARG A C 1 ATOM 238 O O . ARG A 1 32 ? -32.887 -26.639 17.287 1.00 42.10 ? 32 ARG A O 1 ATOM 239 C CB . ARG A 1 32 ? -31.544 -27.420 14.556 1.00 43.47 ? 32 ARG A CB 1 ATOM 240 C CG . ARG A 1 32 ? -30.287 -27.037 13.832 1.00 49.67 ? 32 ARG A CG 1 ATOM 241 C CD . ARG A 1 32 ? -29.693 -28.246 13.136 1.00 55.36 ? 32 ARG A CD 1 ATOM 242 N NE . ARG A 1 32 ? -28.269 -27.999 12.963 1.00 59.98 ? 32 ARG A NE 1 ATOM 243 C CZ . ARG A 1 32 ? -27.272 -28.701 13.486 1.00 60.54 ? 32 ARG A CZ 1 ATOM 244 N NH1 . ARG A 1 32 ? -26.033 -28.292 13.238 1.00 63.12 ? 32 ARG A NH1 1 ATOM 245 N NH2 . ARG A 1 32 ? -27.474 -29.804 14.210 1.00 62.39 ? 32 ARG A NH2 1 ATOM 246 N N . SER A 1 33 ? -31.829 -24.722 16.710 1.00 40.64 ? 33 SER A N 1 ATOM 247 C CA . SER A 1 33 ? -31.819 -24.129 18.047 1.00 37.13 ? 33 SER A CA 1 ATOM 248 C C . SER A 1 33 ? -32.440 -22.742 17.932 1.00 36.02 ? 33 SER A C 1 ATOM 249 O O . SER A 1 33 ? -31.711 -21.768 17.807 1.00 32.57 ? 33 SER A O 1 ATOM 250 C CB . SER A 1 33 ? -30.429 -23.958 18.602 1.00 42.92 ? 33 SER A CB 1 ATOM 251 O OG . SER A 1 33 ? -29.798 -25.176 18.787 1.00 61.53 ? 33 SER A OG 1 ATOM 252 N N . PRO A 1 34 ? -33.787 -22.653 17.986 1.00 33.58 ? 34 PRO A N 1 ATOM 253 C CA . PRO A 1 34 ? -34.463 -21.391 17.654 1.00 32.59 ? 34 PRO A CA 1 ATOM 254 C C . PRO A 1 34 ? -34.242 -20.184 18.626 1.00 33.18 ? 34 PRO A C 1 ATOM 255 O O . PRO A 1 34 ? -34.604 -19.029 18.268 1.00 32.25 ? 34 PRO A O 1 ATOM 256 C CB . PRO A 1 34 ? -35.932 -21.782 17.568 1.00 32.58 ? 34 PRO A CB 1 ATOM 257 C CG . PRO A 1 34 ? -35.943 -23.289 17.498 1.00 33.66 ? 34 PRO A CG 1 ATOM 258 C CD . PRO A 1 34 ? -34.738 -23.752 18.239 1.00 31.06 ? 34 PRO A CD 1 ATOM 259 N N . ALA A 1 35 ? -33.698 -20.445 19.811 1.00 30.80 ? 35 ALA A N 1 ATOM 260 C CA . ALA A 1 35 ? -33.338 -19.373 20.726 1.00 34.36 ? 35 ALA A CA 1 ATOM 261 C C . ALA A 1 35 ? -31.896 -18.904 20.556 1.00 32.59 ? 35 ALA A C 1 ATOM 262 O O . ALA A 1 35 ? -31.494 -17.943 21.209 1.00 29.84 ? 35 ALA A O 1 ATOM 263 C CB . ALA A 1 35 ? -33.601 -19.795 22.158 1.00 34.78 ? 35 ALA A CB 1 ATOM 264 N N . LEU A 1 36 ? -31.119 -19.540 19.666 1.00 35.90 ? 36 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -29.698 -19.146 19.510 1.00 37.85 ? 36 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -29.565 -17.737 18.970 1.00 30.30 ? 36 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -30.046 -17.465 17.872 1.00 24.70 ? 36 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -28.915 -20.052 18.570 1.00 39.31 ? 36 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? -28.183 -21.224 19.180 1.00 45.21 ? 36 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? -27.451 -21.924 18.041 1.00 44.91 ? 36 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? -27.230 -20.785 20.296 1.00 45.08 ? 36 LEU A CD2 1 ATOM 272 N N . GLY A 1 37 ? -28.875 -16.890 19.737 1.00 28.69 ? 37 GLY A N 1 ATOM 273 C CA . GLY A 1 37 ? -28.607 -15.484 19.349 1.00 26.26 ? 37 GLY A CA 1 ATOM 274 C C . GLY A 1 37 ? -29.681 -14.496 19.718 1.00 27.60 ? 37 GLY A C 1 ATOM 275 O O . GLY A 1 37 ? -29.475 -13.264 19.577 1.00 23.29 ? 37 GLY A O 1 ATOM 276 N N . ALA A 1 38 ? -30.782 -15.004 20.260 1.00 25.35 ? 38 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -31.876 -14.183 20.727 1.00 24.86 ? 38 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -31.457 -13.285 21.900 1.00 26.46 ? 38 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -30.546 -13.636 22.675 1.00 24.87 ? 38 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -33.036 -15.047 21.154 1.00 23.33 ? 38 ALA A CB 1 ATOM 281 N N . ALA A 1 39 ? -32.155 -12.148 22.013 1.00 27.21 ? 39 ALA A N 1 ATOM 282 C CA . ALA A 1 39 ? -31.977 -11.200 23.128 1.00 26.40 ? 39 ALA A CA 1 ATOM 283 C C . ALA A 1 39 ? -32.446 -11.823 24.434 1.00 26.50 ? 39 ALA A C 1 ATOM 284 O O . ALA A 1 39 ? -33.137 -12.836 24.427 1.00 24.45 ? 39 ALA A O 1 ATOM 285 C CB . ALA A 1 39 ? -32.766 -9.932 22.860 1.00 26.76 ? 39 ALA A CB 1 ATOM 286 N N . ASN A 1 40 ? -31.971 -11.266 25.550 1.00 26.61 ? 40 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -32.290 -11.730 26.867 1.00 29.22 ? 40 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -31.957 -13.160 27.159 1.00 29.70 ? 40 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -32.727 -13.810 27.866 1.00 37.34 ? 40 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -33.756 -11.406 27.187 1.00 31.73 ? 40 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -34.010 -9.905 27.184 1.00 38.93 ? 40 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -34.966 -9.424 26.562 1.00 55.55 ? 40 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -33.128 -9.144 27.845 1.00 36.79 ? 40 ASN A ND2 1 ATOM 294 N N . ARG A 1 41 ? -30.782 -13.617 26.698 1.00 29.20 ? 41 ARG A N 1 ATOM 295 C CA . ARG A 1 41 ? -30.218 -14.936 27.014 1.00 28.76 ? 41 ARG A CA 1 ATOM 296 C C . ARG A 1 41 ? -28.824 -14.727 27.564 1.00 28.90 ? 41 ARG A C 1 ATOM 297 O O . ARG A 1 41 ? -28.252 -13.653 27.424 1.00 22.51 ? 41 ARG A O 1 ATOM 298 C CB . ARG A 1 41 ? -30.082 -15.782 25.754 1.00 33.72 ? 41 ARG A CB 1 ATOM 299 C CG . ARG A 1 41 ? -31.342 -16.023 24.944 1.00 38.27 ? 41 ARG A CG 1 ATOM 300 C CD . ARG A 1 41 ? -32.277 -17.019 25.608 1.00 45.52 ? 41 ARG A CD 1 ATOM 301 N NE . ARG A 1 41 ? -33.581 -17.018 24.937 1.00 54.44 ? 41 ARG A NE 1 ATOM 302 C CZ . ARG A 1 41 ? -34.532 -17.953 25.052 1.00 61.99 ? 41 ARG A CZ 1 ATOM 303 N NH1 . ARG A 1 41 ? -34.368 -19.043 25.805 1.00 54.63 ? 41 ARG A NH1 1 ATOM 304 N NH2 . ARG A 1 41 ? -35.673 -17.795 24.373 1.00 66.85 ? 41 ARG A NH2 1 ATOM 305 N N . ALA A 1 42 ? -28.286 -15.755 28.225 1.00 25.43 ? 42 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? -26.951 -15.692 28.755 1.00 26.46 ? 42 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? -25.923 -15.383 27.638 1.00 25.60 ? 42 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? -25.988 -15.951 26.531 1.00 22.79 ? 42 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? -26.601 -17.031 29.402 1.00 27.34 ? 42 ALA A CB 1 ATOM 310 N N . LEU A 1 43 ? -24.981 -14.502 27.927 1.00 24.83 ? 43 LEU A N 1 ATOM 311 C CA . LEU A 1 43 ? -23.760 -14.393 27.105 1.00 25.98 ? 43 LEU A CA 1 ATOM 312 C C . LEU A 1 43 ? -23.101 -15.755 27.059 1.00 25.42 ? 43 LEU A C 1 ATOM 313 O O . LEU A 1 43 ? -23.072 -16.473 28.097 1.00 24.11 ? 43 LEU A O 1 ATOM 314 C CB . LEU A 1 43 ? -22.778 -13.381 27.715 1.00 24.22 ? 43 LEU A CB 1 ATOM 315 C CG . LEU A 1 43 ? -23.209 -11.927 27.587 1.00 24.04 ? 43 LEU A CG 1 ATOM 316 C CD1 . LEU A 1 43 ? -22.541 -11.032 28.613 1.00 24.11 ? 43 LEU A CD1 1 ATOM 317 C CD2 . LEU A 1 43 ? -22.908 -11.385 26.201 1.00 24.02 ? 43 LEU A CD2 1 ATOM 318 N N . ALA A 1 44 ? -22.537 -16.087 25.887 1.00 22.53 ? 44 ALA A N 1 ATOM 319 C CA . ALA A 1 44 ? -21.823 -17.328 25.715 1.00 22.25 ? 44 ALA A CA 1 ATOM 320 C C . ALA A 1 44 ? -20.529 -17.329 26.490 1.00 23.38 ? 44 ALA A C 1 ATOM 321 O O . ALA A 1 44 ? -19.909 -16.258 26.699 1.00 20.63 ? 44 ALA A O 1 ATOM 322 C CB . ALA A 1 44 ? -21.585 -17.608 24.230 1.00 23.14 ? 44 ALA A CB 1 ATOM 323 N N . ARG A 1 45 ? -20.133 -18.518 26.975 1.00 22.10 ? 45 ARG A N 1 ATOM 324 C CA . ARG A 1 45 ? -18.842 -18.707 27.591 1.00 22.72 ? 45 ARG A CA 1 ATOM 325 C C . ARG A 1 45 ? -17.923 -19.505 26.657 1.00 24.62 ? 45 ARG A C 1 ATOM 326 O O . ARG A 1 45 ? -18.153 -20.681 26.396 1.00 23.80 ? 45 ARG A O 1 ATOM 327 C CB . ARG A 1 45 ? -19.005 -19.495 28.886 1.00 25.27 ? 45 ARG A CB 1 ATOM 328 C CG . ARG A 1 45 ? -19.679 -18.732 30.009 1.00 24.01 ? 45 ARG A CG 1 ATOM 329 C CD . ARG A 1 45 ? -18.661 -17.894 30.747 1.00 24.98 ? 45 ARG A CD 1 ATOM 330 N NE . ARG A 1 45 ? -19.265 -17.197 31.874 1.00 25.46 ? 45 ARG A NE 1 ATOM 331 C CZ . ARG A 1 45 ? -18.742 -16.135 32.491 1.00 23.45 ? 45 ARG A CZ 1 ATOM 332 N NH1 . ARG A 1 45 ? -17.488 -15.737 32.217 1.00 26.01 ? 45 ARG A NH1 1 ATOM 333 N NH2 . ARG A 1 45 ? -19.433 -15.555 33.440 1.00 21.32 ? 45 ARG A NH2 1 ATOM 334 N N . TRP A 1 46 ? -16.859 -18.893 26.190 1.00 24.75 ? 46 TRP A N 1 ATOM 335 C CA . TRP A 1 46 ? -15.809 -19.615 25.467 1.00 25.27 ? 46 TRP A CA 1 ATOM 336 C C . TRP A 1 46 ? -14.768 -20.316 26.340 1.00 25.57 ? 46 TRP A C 1 ATOM 337 O O . TRP A 1 46 ? -14.157 -21.258 25.895 1.00 26.75 ? 46 TRP A O 1 ATOM 338 C CB . TRP A 1 46 ? -15.061 -18.648 24.562 1.00 24.75 ? 46 TRP A CB 1 ATOM 339 C CG . TRP A 1 46 ? -15.842 -18.123 23.392 1.00 22.46 ? 46 TRP A CG 1 ATOM 340 C CD1 . TRP A 1 46 ? -17.048 -18.517 22.960 1.00 24.49 ? 46 TRP A CD1 1 ATOM 341 C CD2 . TRP A 1 46 ? -15.378 -17.154 22.485 1.00 24.31 ? 46 TRP A CD2 1 ATOM 342 N NE1 . TRP A 1 46 ? -17.420 -17.800 21.844 1.00 24.83 ? 46 TRP A NE1 1 ATOM 343 C CE2 . TRP A 1 46 ? -16.388 -16.950 21.535 1.00 25.98 ? 46 TRP A CE2 1 ATOM 344 C CE3 . TRP A 1 46 ? -14.199 -16.376 22.412 1.00 25.75 ? 46 TRP A CE3 1 ATOM 345 C CZ2 . TRP A 1 46 ? -16.261 -16.022 20.499 1.00 26.35 ? 46 TRP A CZ2 1 ATOM 346 C CZ3 . TRP A 1 46 ? -14.089 -15.446 21.413 1.00 25.45 ? 46 TRP A CZ3 1 ATOM 347 C CH2 . TRP A 1 46 ? -15.118 -15.285 20.451 1.00 26.82 ? 46 TRP A CH2 1 ATOM 348 N N . LEU A 1 47 ? -14.538 -19.818 27.545 1.00 27.70 ? 47 LEU A N 1 ATOM 349 C CA . LEU A 1 47 ? -13.803 -20.506 28.603 1.00 25.80 ? 47 LEU A CA 1 ATOM 350 C C . LEU A 1 47 ? -14.598 -20.561 29.864 1.00 26.59 ? 47 LEU A C 1 ATOM 351 O O . LEU A 1 47 ? -15.450 -19.724 30.086 1.00 26.55 ? 47 LEU A O 1 ATOM 352 C CB . LEU A 1 47 ? -12.531 -19.753 28.914 1.00 25.35 ? 47 LEU A CB 1 ATOM 353 C CG . LEU A 1 47 ? -11.405 -19.862 27.900 1.00 28.03 ? 47 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 47 ? -10.221 -19.087 28.426 1.00 27.13 ? 47 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 47 ? -11.064 -21.324 27.545 1.00 30.57 ? 47 LEU A CD2 1 ATOM 356 N N . PRO A 1 48 ? -14.325 -21.558 30.738 1.00 26.09 ? 48 PRO A N 1 ATOM 357 C CA . PRO A 1 48 ? -15.098 -21.533 31.993 1.00 25.57 ? 48 PRO A CA 1 ATOM 358 C C . PRO A 1 48 ? -14.888 -20.214 32.809 1.00 26.86 ? 48 PRO A C 1 ATOM 359 O O . PRO A 1 48 ? -13.799 -19.704 32.842 1.00 25.02 ? 48 PRO A O 1 ATOM 360 C CB . PRO A 1 48 ? -14.528 -22.701 32.783 1.00 25.71 ? 48 PRO A CB 1 ATOM 361 C CG . PRO A 1 48 ? -13.844 -23.584 31.768 1.00 27.66 ? 48 PRO A CG 1 ATOM 362 C CD . PRO A 1 48 ? -13.390 -22.690 30.655 1.00 25.12 ? 48 PRO A CD 1 ATOM 363 N N . ALA A 1 49 ? -15.918 -19.759 33.506 1.00 24.41 ? 49 ALA A N 1 ATOM 364 C CA . ALA A 1 49 ? -15.862 -18.611 34.355 1.00 26.97 ? 49 ALA A CA 1 ATOM 365 C C . ALA A 1 49 ? -14.862 -18.749 35.481 1.00 28.68 ? 49 ALA A C 1 ATOM 366 O O . ALA A 1 49 ? -14.645 -19.860 35.973 1.00 29.25 ? 49 ALA A O 1 ATOM 367 C CB . ALA A 1 49 ? -17.265 -18.327 34.909 1.00 28.28 ? 49 ALA A CB 1 ATOM 368 N N . GLU A 1 50 ? -14.188 -17.643 35.830 1.00 24.56 ? 50 GLU A N 1 ATOM 369 C CA . GLU A 1 50 ? -13.251 -17.594 36.989 1.00 25.67 ? 50 GLU A CA 1 ATOM 370 C C . GLU A 1 50 ? -13.708 -16.694 38.074 1.00 24.74 ? 50 GLU A C 1 ATOM 371 O O . GLU A 1 50 ? -13.679 -15.450 37.963 1.00 24.24 ? 50 GLU A O 1 ATOM 372 C CB . GLU A 1 50 ? -11.851 -17.231 36.596 1.00 30.27 ? 50 GLU A CB 1 ATOM 373 C CG . GLU A 1 50 ? -11.427 -18.108 35.431 1.00 40.44 ? 50 GLU A CG 1 ATOM 374 C CD . GLU A 1 50 ? -9.932 -18.269 35.242 1.00 46.18 ? 50 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 50 ? -9.096 -17.530 35.860 1.00 52.43 ? 50 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 50 ? -9.595 -19.164 34.411 1.00 52.37 ? 50 GLU A OE2 1 ATOM 377 N N . TYR A 1 51 ? -14.181 -17.324 39.143 1.00 25.13 ? 51 TYR A N 1 ATOM 378 C CA . TYR A 1 51 ? -14.765 -16.611 40.269 1.00 26.15 ? 51 TYR A CA 1 ATOM 379 C C . TYR A 1 51 ? -14.008 -16.981 41.525 1.00 27.52 ? 51 TYR A C 1 ATOM 380 O O . TYR A 1 51 ? -13.446 -18.043 41.623 1.00 24.50 ? 51 TYR A O 1 ATOM 381 C CB . TYR A 1 51 ? -16.226 -16.921 40.413 1.00 24.62 ? 51 TYR A CB 1 ATOM 382 C CG . TYR A 1 51 ? -17.157 -16.252 39.431 1.00 23.75 ? 51 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 51 ? -17.344 -14.856 39.412 1.00 22.76 ? 51 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 51 ? -17.926 -17.035 38.552 1.00 24.43 ? 51 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 51 ? -18.219 -14.263 38.511 1.00 24.10 ? 51 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 51 ? -18.824 -16.450 37.670 1.00 24.60 ? 51 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 51 ? -18.958 -15.080 37.648 1.00 24.76 ? 51 TYR A CZ 1 ATOM 388 O OH . TYR A 1 51 ? -19.833 -14.595 36.771 1.00 25.25 ? 51 TYR A OH 1 ATOM 389 N N . GLU A 1 52 ? -13.984 -16.063 42.487 1.00 30.79 ? 52 GLU A N 1 ATOM 390 C CA . GLU A 1 52 ? -13.285 -16.265 43.794 1.00 34.54 ? 52 GLU A CA 1 ATOM 391 C C . GLU A 1 52 ? -13.734 -17.539 44.533 1.00 32.92 ? 52 GLU A C 1 ATOM 392 O O . GLU A 1 52 ? -12.921 -18.251 45.073 1.00 32.53 ? 52 GLU A O 1 ATOM 393 C CB . GLU A 1 52 ? -13.593 -15.034 44.667 1.00 38.51 ? 52 GLU A CB 1 ATOM 394 C CG . GLU A 1 52 ? -12.927 -14.984 46.003 1.00 44.26 ? 52 GLU A CG 1 ATOM 395 C CD . GLU A 1 52 ? -13.334 -13.756 46.760 1.00 42.07 ? 52 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 52 ? -14.468 -13.773 47.323 1.00 47.06 ? 52 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 52 ? -12.541 -12.781 46.745 1.00 40.20 ? 52 GLU A OE2 1 ATOM 398 N N . ASP A 1 53 ? -15.037 -17.795 44.542 1.00 31.14 ? 53 ASP A N 1 ATOM 399 C CA . ASP A 1 53 ? -15.635 -18.969 45.216 1.00 32.41 ? 53 ASP A CA 1 ATOM 400 C C . ASP A 1 53 ? -15.957 -20.114 44.214 1.00 31.89 ? 53 ASP A C 1 ATOM 401 O O . ASP A 1 53 ? -16.708 -21.047 44.508 1.00 26.66 ? 53 ASP A O 1 ATOM 402 C CB . ASP A 1 53 ? -16.917 -18.542 45.978 1.00 29.04 ? 53 ASP A CB 1 ATOM 403 C CG . ASP A 1 53 ? -17.989 -17.975 45.059 1.00 30.76 ? 53 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 53 ? -17.706 -17.722 43.841 1.00 25.78 ? 53 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 53 ? -19.127 -17.718 45.554 1.00 32.66 ? 53 ASP A OD2 1 ATOM 406 N N . GLY A 1 54 ? -15.422 -19.990 43.003 1.00 34.59 ? 54 GLY A N 1 ATOM 407 C CA . GLY A 1 54 ? -15.718 -20.895 41.901 1.00 32.85 ? 54 GLY A CA 1 ATOM 408 C C . GLY A 1 54 ? -17.092 -20.783 41.239 1.00 35.07 ? 54 GLY A C 1 ATOM 409 O O . GLY A 1 54 ? -17.341 -21.449 40.240 1.00 38.25 ? 54 GLY A O 1 ATOM 410 N N . LEU A 1 55 ? -17.979 -19.974 41.803 1.00 33.94 ? 55 LEU A N 1 ATOM 411 C CA . LEU A 1 55 ? -19.369 -19.886 41.391 1.00 37.17 ? 55 LEU A CA 1 ATOM 412 C C . LEU A 1 55 ? -19.958 -18.499 41.009 1.00 33.67 ? 55 LEU A C 1 ATOM 413 O O . LEU A 1 55 ? -20.700 -18.377 40.020 1.00 30.62 ? 55 LEU A O 1 ATOM 414 C CB . LEU A 1 55 ? -20.201 -20.398 42.541 1.00 41.45 ? 55 LEU A CB 1 ATOM 415 C CG . LEU A 1 55 ? -21.197 -21.509 42.285 1.00 48.22 ? 55 LEU A CG 1 ATOM 416 C CD1 . LEU A 1 55 ? -22.484 -21.163 42.996 1.00 48.67 ? 55 LEU A CD1 1 ATOM 417 C CD2 . LEU A 1 55 ? -21.480 -21.786 40.832 1.00 50.07 ? 55 LEU A CD2 1 ATOM 418 N N . ALA A 1 56 ? -19.743 -17.499 41.850 1.00 28.72 ? 56 ALA A N 1 ATOM 419 C CA . ALA A 1 56 ? -20.279 -16.197 41.552 1.00 27.73 ? 56 ALA A CA 1 ATOM 420 C C . ALA A 1 56 ? -19.514 -15.004 42.104 1.00 28.18 ? 56 ALA A C 1 ATOM 421 O O . ALA A 1 56 ? -19.761 -13.899 41.660 1.00 28.68 ? 56 ALA A O 1 ATOM 422 C CB . ALA A 1 56 ? -21.725 -16.138 42.027 1.00 28.30 ? 56 ALA A CB 1 ATOM 423 N N . LEU A 1 57 ? -18.679 -15.164 43.117 1.00 28.53 ? 57 LEU A N 1 ATOM 424 C CA . LEU A 1 57 ? -18.046 -14.003 43.721 1.00 28.28 ? 57 LEU A CA 1 ATOM 425 C C . LEU A 1 57 ? -16.869 -13.525 42.889 1.00 27.83 ? 57 LEU A C 1 ATOM 426 O O . LEU A 1 57 ? -16.087 -14.301 42.400 1.00 25.24 ? 57 LEU A O 1 ATOM 427 C CB . LEU A 1 57 ? -17.607 -14.279 45.169 1.00 31.22 ? 57 LEU A CB 1 ATOM 428 C CG . LEU A 1 57 ? -18.776 -14.452 46.158 1.00 35.55 ? 57 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 57 ? -18.282 -14.842 47.556 1.00 35.31 ? 57 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 57 ? -19.664 -13.203 46.229 1.00 37.42 ? 57 LEU A CD2 1 ATOM 431 N N . PRO A 1 58 ? -16.744 -12.220 42.718 1.00 27.26 ? 58 PRO A N 1 ATOM 432 C CA . PRO A 1 58 ? -15.660 -11.766 41.873 1.00 24.64 ? 58 PRO A CA 1 ATOM 433 C C . PRO A 1 58 ? -14.304 -11.816 42.595 1.00 26.19 ? 58 PRO A C 1 ATOM 434 O O . PRO A 1 58 ? -14.227 -11.669 43.841 1.00 28.23 ? 58 PRO A O 1 ATOM 435 C CB . PRO A 1 58 ? -16.084 -10.320 41.522 1.00 24.86 ? 58 PRO A CB 1 ATOM 436 C CG . PRO A 1 58 ? -17.068 -9.914 42.582 1.00 28.08 ? 58 PRO A CG 1 ATOM 437 C CD . PRO A 1 58 ? -17.682 -11.143 43.117 1.00 26.75 ? 58 PRO A CD 1 ATOM 438 N N . PHE A 1 59 ? -13.234 -11.973 41.836 1.00 23.38 ? 59 PHE A N 1 ATOM 439 C CA . PHE A 1 59 ? -11.919 -11.814 42.396 1.00 24.13 ? 59 PHE A CA 1 ATOM 440 C C . PHE A 1 59 ? -11.774 -10.338 42.828 1.00 27.19 ? 59 PHE A C 1 ATOM 441 O O . PHE A 1 59 ? -12.287 -9.431 42.123 1.00 30.96 ? 59 PHE A O 1 ATOM 442 C CB . PHE A 1 59 ? -10.857 -12.198 41.371 1.00 24.24 ? 59 PHE A CB 1 ATOM 443 C CG . PHE A 1 59 ? -10.595 -13.679 41.300 1.00 28.00 ? 59 PHE A CG 1 ATOM 444 C CD1 . PHE A 1 59 ? -10.029 -14.335 42.368 1.00 25.26 ? 59 PHE A CD1 1 ATOM 445 C CD2 . PHE A 1 59 ? -10.903 -14.424 40.163 1.00 28.96 ? 59 PHE A CD2 1 ATOM 446 C CE1 . PHE A 1 59 ? -9.735 -15.689 42.322 1.00 29.97 ? 59 PHE A CE1 1 ATOM 447 C CE2 . PHE A 1 59 ? -10.625 -15.793 40.118 1.00 31.75 ? 59 PHE A CE2 1 ATOM 448 C CZ . PHE A 1 59 ? -10.033 -16.434 41.201 1.00 30.00 ? 59 PHE A CZ 1 ATOM 449 N N . GLY A 1 60 ? -11.139 -10.116 43.984 1.00 25.08 ? 60 GLY A N 1 ATOM 450 C CA . GLY A 1 60 ? -11.181 -8.851 44.694 1.00 28.12 ? 60 GLY A CA 1 ATOM 451 C C . GLY A 1 60 ? -12.270 -8.701 45.780 1.00 31.36 ? 60 GLY A C 1 ATOM 452 O O . GLY A 1 60 ? -12.218 -7.744 46.532 1.00 30.75 ? 60 GLY A O 1 ATOM 453 N N . TRP A 1 61 ? -13.240 -9.618 45.875 1.00 30.81 ? 61 TRP A N 1 ATOM 454 C CA . TRP A 1 61 ? -14.404 -9.431 46.763 1.00 31.27 ? 61 TRP A CA 1 ATOM 455 C C . TRP A 1 61 ? -13.975 -9.611 48.212 1.00 35.67 ? 61 TRP A C 1 ATOM 456 O O . TRP A 1 61 ? -14.332 -8.803 49.054 1.00 34.18 ? 61 TRP A O 1 ATOM 457 C CB . TRP A 1 61 ? -15.514 -10.445 46.448 1.00 30.52 ? 61 TRP A CB 1 ATOM 458 C CG . TRP A 1 61 ? -16.726 -10.400 47.317 1.00 30.13 ? 61 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 61 ? -16.928 -11.073 48.498 1.00 35.36 ? 61 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 61 ? -17.913 -9.638 47.101 1.00 31.39 ? 61 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 61 ? -18.162 -10.771 49.022 1.00 34.24 ? 61 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 61 ? -18.792 -9.906 48.179 1.00 33.50 ? 61 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 61 ? -18.326 -8.765 46.095 1.00 29.05 ? 61 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 61 ? -20.039 -9.340 48.268 1.00 33.94 ? 61 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 61 ? -19.546 -8.221 46.170 1.00 31.81 ? 61 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 61 ? -20.404 -8.492 47.257 1.00 34.09 ? 61 TRP A CH2 1 ATOM 467 N N . THR A 1 62 ? -13.203 -10.663 48.471 1.00 35.85 ? 62 THR A N 1 ATOM 468 C CA . THR A 1 62 ? -12.718 -10.986 49.818 1.00 41.15 ? 62 THR A CA 1 ATOM 469 C C . THR A 1 62 ? -11.246 -10.514 49.918 1.00 45.25 ? 62 THR A C 1 ATOM 470 O O . THR A 1 62 ? -10.412 -10.893 49.104 1.00 44.70 ? 62 THR A O 1 ATOM 471 C CB . THR A 1 62 ? -12.882 -12.508 50.087 1.00 35.20 ? 62 THR A CB 1 ATOM 472 O OG1 . THR A 1 62 ? -14.245 -12.862 49.855 1.00 38.38 ? 62 THR A OG1 1 ATOM 473 C CG2 . THR A 1 62 ? -12.532 -12.882 51.519 1.00 35.71 ? 62 THR A CG2 1 ATOM 474 N N . GLN A 1 63 ? -10.925 -9.714 50.936 1.00 51.60 ? 63 GLN A N 1 ATOM 475 C CA . GLN A 1 63 ? -9.615 -9.029 50.969 1.00 57.47 ? 63 GLN A CA 1 ATOM 476 C C . GLN A 1 63 ? -8.397 -9.985 51.063 1.00 51.46 ? 63 GLN A C 1 ATOM 477 O O . GLN A 1 63 ? -7.469 -9.914 50.247 1.00 66.06 ? 63 GLN A O 1 ATOM 478 C CB . GLN A 1 63 ? -9.590 -7.940 52.072 1.00 65.77 ? 63 GLN A CB 1 ATOM 479 C CG . GLN A 1 63 ? -8.499 -6.886 51.867 1.00 71.51 ? 63 GLN A CG 1 ATOM 480 C CD . GLN A 1 63 ? -8.537 -5.690 52.833 1.00 77.87 ? 63 GLN A CD 1 ATOM 481 O OE1 . GLN A 1 63 ? -7.564 -5.420 53.559 1.00 72.73 ? 63 GLN A OE1 1 ATOM 482 N NE2 . GLN A 1 63 ? -9.651 -4.957 52.833 1.00 83.11 ? 63 GLN A NE2 1 ATOM 483 N N . ARG A 1 64 ? -8.418 -10.872 52.042 1.00 48.45 ? 64 ARG A N 1 ATOM 484 C CA . ARG A 1 64 ? -7.403 -11.953 52.191 1.00 52.83 ? 64 ARG A CA 1 ATOM 485 C C . ARG A 1 64 ? -7.268 -13.059 51.072 1.00 44.70 ? 64 ARG A C 1 ATOM 486 O O . ARG A 1 64 ? -6.280 -13.805 51.072 1.00 43.70 ? 64 ARG A O 1 ATOM 487 C CB . ARG A 1 64 ? -7.719 -12.707 53.490 1.00 61.67 ? 64 ARG A CB 1 ATOM 488 C CG . ARG A 1 64 ? -8.987 -13.582 53.411 1.00 61.78 ? 64 ARG A CG 1 ATOM 489 C CD . ARG A 1 64 ? -9.302 -14.223 54.743 1.00 70.17 ? 64 ARG A CD 1 ATOM 490 N NE . ARG A 1 64 ? -10.737 -14.332 55.002 1.00 74.50 ? 64 ARG A NE 1 ATOM 491 C CZ . ARG A 1 64 ? -11.552 -15.271 54.518 1.00 77.30 ? 64 ARG A CZ 1 ATOM 492 N NH1 . ARG A 1 64 ? -11.120 -16.232 53.690 1.00 81.86 ? 64 ARG A NH1 1 ATOM 493 N NH2 . ARG A 1 64 ? -12.836 -15.238 54.859 1.00 76.64 ? 64 ARG A NH2 1 ATOM 494 N N . LYS A 1 65 ? -8.278 -13.174 50.199 1.00 36.95 ? 65 LYS A N 1 ATOM 495 C CA . LYS A 1 65 ? -8.411 -14.233 49.183 1.00 39.58 ? 65 LYS A CA 1 ATOM 496 C C . LYS A 1 65 ? -7.709 -13.844 47.853 1.00 35.64 ? 65 LYS A C 1 ATOM 497 O O . LYS A 1 65 ? -8.137 -12.923 47.181 1.00 36.65 ? 65 LYS A O 1 ATOM 498 C CB . LYS A 1 65 ? -9.895 -14.510 48.967 1.00 41.21 ? 65 LYS A CB 1 ATOM 499 C CG . LYS A 1 65 ? -10.354 -15.945 48.749 1.00 47.66 ? 65 LYS A CG 1 ATOM 500 C CD . LYS A 1 65 ? -11.500 -16.286 49.682 1.00 56.36 ? 65 LYS A CD 1 ATOM 501 C CE . LYS A 1 65 ? -11.872 -17.766 49.645 1.00 62.69 ? 65 LYS A CE 1 ATOM 502 N NZ . LYS A 1 65 ? -13.034 -18.026 48.767 1.00 64.37 ? 65 LYS A NZ 1 ATOM 503 N N . THR A 1 66 ? -6.651 -14.560 47.481 1.00 26.38 ? 66 THR A N 1 ATOM 504 C CA . THR A 1 66 ? -5.774 -14.155 46.404 1.00 27.51 ? 66 THR A CA 1 ATOM 505 C C . THR A 1 66 ? -6.170 -14.791 45.091 1.00 27.93 ? 66 THR A C 1 ATOM 506 O O . THR A 1 66 ? -6.748 -15.851 45.066 1.00 32.83 ? 66 THR A O 1 ATOM 507 C CB . THR A 1 66 ? -4.292 -14.533 46.662 1.00 25.75 ? 66 THR A CB 1 ATOM 508 O OG1 . THR A 1 66 ? -4.139 -15.965 46.772 1.00 25.03 ? 66 THR A OG1 1 ATOM 509 C CG2 . THR A 1 66 ? -3.720 -13.814 47.908 1.00 27.66 ? 66 THR A CG2 1 ATOM 510 N N . ARG A 1 67 ? -5.814 -14.158 43.999 1.00 25.77 ? 67 ARG A N 1 ATOM 511 C CA . ARG A 1 67 ? -5.881 -14.798 42.696 1.00 23.68 ? 67 ARG A CA 1 ATOM 512 C C . ARG A 1 67 ? -4.482 -15.284 42.351 1.00 22.09 ? 67 ARG A C 1 ATOM 513 O O . ARG A 1 67 ? -3.546 -14.498 42.352 1.00 25.15 ? 67 ARG A O 1 ATOM 514 C CB . ARG A 1 67 ? -6.366 -13.838 41.618 1.00 22.01 ? 67 ARG A CB 1 ATOM 515 C CG . ARG A 1 67 ? -6.629 -14.526 40.308 1.00 23.88 ? 67 ARG A CG 1 ATOM 516 C CD . ARG A 1 67 ? -6.955 -13.493 39.222 1.00 27.74 ? 67 ARG A CD 1 ATOM 517 N NE . ARG A 1 67 ? -7.606 -14.171 38.130 1.00 26.77 ? 67 ARG A NE 1 ATOM 518 C CZ . ARG A 1 67 ? -8.614 -13.696 37.402 1.00 27.82 ? 67 ARG A CZ 1 ATOM 519 N NH1 . ARG A 1 67 ? -9.112 -12.462 37.592 1.00 28.90 ? 67 ARG A NH1 1 ATOM 520 N NH2 . ARG A 1 67 ? -9.144 -14.481 36.487 1.00 26.87 ? 67 ARG A NH2 1 ATOM 521 N N . ASN A 1 68 ? -4.349 -16.577 42.062 1.00 22.86 ? 68 ASN A N 1 ATOM 522 C CA . ASN A 1 68 ? -3.052 -17.232 41.811 1.00 24.95 ? 68 ASN A CA 1 ATOM 523 C C . ASN A 1 68 ? -1.946 -16.860 42.790 1.00 22.16 ? 68 ASN A C 1 ATOM 524 O O . ASN A 1 68 ? -0.766 -16.763 42.408 1.00 24.10 ? 68 ASN A O 1 ATOM 525 C CB . ASN A 1 68 ? -2.571 -17.041 40.337 1.00 25.75 ? 68 ASN A CB 1 ATOM 526 C CG . ASN A 1 68 ? -3.581 -17.544 39.347 1.00 29.19 ? 68 ASN A CG 1 ATOM 527 O OD1 . ASN A 1 68 ? -3.980 -18.704 39.414 1.00 26.23 ? 68 ASN A OD1 1 ATOM 528 N ND2 . ASN A 1 68 ? -4.074 -16.657 38.474 1.00 26.78 ? 68 ASN A ND2 1 ATOM 529 N N . GLY A 1 69 ? -2.310 -16.654 44.041 1.00 19.64 ? 69 GLY A N 1 ATOM 530 C CA . GLY A 1 69 ? -1.325 -16.348 45.055 1.00 20.74 ? 69 GLY A CA 1 ATOM 531 C C . GLY A 1 69 ? -1.089 -14.871 45.335 1.00 21.60 ? 69 GLY A C 1 ATOM 532 O O . GLY A 1 69 ? -0.252 -14.541 46.199 1.00 23.47 ? 69 GLY A O 1 ATOM 533 N N . PHE A 1 70 ? -1.783 -13.982 44.615 1.00 20.44 ? 70 PHE A N 1 ATOM 534 C CA . PHE A 1 70 ? -1.576 -12.511 44.753 1.00 24.95 ? 70 PHE A CA 1 ATOM 535 C C . PHE A 1 70 ? -2.865 -11.736 44.847 1.00 26.09 ? 70 PHE A C 1 ATOM 536 O O . PHE A 1 70 ? -3.864 -12.074 44.241 1.00 26.95 ? 70 PHE A O 1 ATOM 537 C CB . PHE A 1 70 ? -0.691 -11.961 43.607 1.00 29.67 ? 70 PHE A CB 1 ATOM 538 C CG . PHE A 1 70 ? 0.655 -12.660 43.525 1.00 32.02 ? 70 PHE A CG 1 ATOM 539 C CD1 . PHE A 1 70 ? 1.665 -12.344 44.441 1.00 34.90 ? 70 PHE A CD1 1 ATOM 540 C CD2 . PHE A 1 70 ? 0.866 -13.711 42.628 1.00 35.11 ? 70 PHE A CD2 1 ATOM 541 C CE1 . PHE A 1 70 ? 2.881 -13.028 44.431 1.00 37.07 ? 70 PHE A CE1 1 ATOM 542 C CE2 . PHE A 1 70 ? 2.111 -14.355 42.590 1.00 36.75 ? 70 PHE A CE2 1 ATOM 543 C CZ . PHE A 1 70 ? 3.105 -14.032 43.519 1.00 34.62 ? 70 PHE A CZ 1 ATOM 544 N N . ARG A 1 71 ? -2.830 -10.677 45.617 1.00 27.16 ? 71 ARG A N 1 ATOM 545 C CA . ARG A 1 71 ? -3.949 -9.771 45.727 1.00 30.70 ? 71 ARG A CA 1 ATOM 546 C C . ARG A 1 71 ? -4.208 -9.111 44.388 1.00 26.64 ? 71 ARG A C 1 ATOM 547 O O . ARG A 1 71 ? -3.264 -8.773 43.704 1.00 25.34 ? 71 ARG A O 1 ATOM 548 C CB . ARG A 1 71 ? -3.665 -8.680 46.773 1.00 36.69 ? 71 ARG A CB 1 ATOM 549 C CG . ARG A 1 71 ? -3.928 -9.183 48.163 1.00 47.15 ? 71 ARG A CG 1 ATOM 550 C CD . ARG A 1 71 ? -4.542 -8.108 49.034 1.00 57.66 ? 71 ARG A CD 1 ATOM 551 N NE . ARG A 1 71 ? -4.837 -8.673 50.331 1.00 66.75 ? 71 ARG A NE 1 ATOM 552 C CZ . ARG A 1 71 ? -5.233 -7.985 51.383 1.00 72.05 ? 71 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 71 ? -5.423 -6.674 51.299 1.00 74.27 ? 71 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 71 ? -5.458 -8.633 52.529 1.00 89.68 ? 71 ARG A NH2 1 ATOM 555 N N . VAL A 1 72 ? -5.479 -8.977 44.026 1.00 26.48 ? 72 VAL A N 1 ATOM 556 C CA . VAL A 1 72 ? -5.850 -8.305 42.804 1.00 28.96 ? 72 VAL A CA 1 ATOM 557 C C . VAL A 1 72 ? -5.750 -6.832 43.154 1.00 24.51 ? 72 VAL A C 1 ATOM 558 O O . VAL A 1 72 ? -6.305 -6.398 44.170 1.00 26.60 ? 72 VAL A O 1 ATOM 559 C CB . VAL A 1 72 ? -7.233 -8.710 42.173 1.00 27.79 ? 72 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 72 ? -7.212 -10.163 41.738 1.00 36.14 ? 72 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 72 ? -8.387 -8.503 43.088 1.00 31.25 ? 72 VAL A CG2 1 ATOM 562 N N . PRO A 1 73 ? -5.022 -6.087 42.354 1.00 23.31 ? 73 PRO A N 1 ATOM 563 C CA . PRO A 1 73 ? -4.917 -4.647 42.669 1.00 24.59 ? 73 PRO A CA 1 ATOM 564 C C . PRO A 1 73 ? -6.269 -3.893 42.451 1.00 25.23 ? 73 PRO A C 1 ATOM 565 O O . PRO A 1 73 ? -7.145 -4.325 41.656 1.00 21.30 ? 73 PRO A O 1 ATOM 566 C CB . PRO A 1 73 ? -3.843 -4.170 41.672 1.00 26.27 ? 73 PRO A CB 1 ATOM 567 C CG . PRO A 1 73 ? -4.037 -5.089 40.479 1.00 24.41 ? 73 PRO A CG 1 ATOM 568 C CD . PRO A 1 73 ? -4.415 -6.419 41.050 1.00 23.01 ? 73 PRO A CD 1 ATOM 569 N N . LEU A 1 74 ? -6.439 -2.782 43.159 1.00 24.02 ? 74 LEU A N 1 ATOM 570 C CA . LEU A 1 74 ? -7.643 -1.986 43.014 1.00 24.45 ? 74 LEU A CA 1 ATOM 571 C C . LEU A 1 74 ? -7.783 -1.512 41.544 1.00 23.42 ? 74 LEU A C 1 ATOM 572 O O . LEU A 1 74 ? -6.828 -1.025 40.945 1.00 23.46 ? 74 LEU A O 1 ATOM 573 C CB . LEU A 1 74 ? -7.573 -0.778 43.924 1.00 25.65 ? 74 LEU A CB 1 ATOM 574 C CG . LEU A 1 74 ? -7.517 -1.003 45.443 1.00 28.99 ? 74 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 74 ? -7.314 0.330 46.121 1.00 29.46 ? 74 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 74 ? -8.803 -1.614 45.963 1.00 31.14 ? 74 LEU A CD2 1 ATOM 577 N N . ALA A 1 75 ? -8.984 -1.622 41.003 1.00 21.31 ? 75 ALA A N 1 ATOM 578 C CA . ALA A 1 75 ? -9.275 -1.171 39.657 1.00 23.16 ? 75 ALA A CA 1 ATOM 579 C C . ALA A 1 75 ? -8.932 0.330 39.473 1.00 23.28 ? 75 ALA A C 1 ATOM 580 O O . ALA A 1 75 ? -8.317 0.717 38.518 1.00 23.71 ? 75 ALA A O 1 ATOM 581 C CB . ALA A 1 75 ? -10.706 -1.431 39.342 1.00 23.45 ? 75 ALA A CB 1 ATOM 582 N N . ARG A 1 76 ? -9.251 1.143 40.436 1.00 23.58 ? 76 ARG A N 1 ATOM 583 C CA . ARG A 1 76 ? -8.852 2.594 40.343 1.00 24.85 ? 76 ARG A CA 1 ATOM 584 C C . ARG A 1 76 ? -7.343 2.860 40.402 1.00 22.84 ? 76 ARG A C 1 ATOM 585 O O . ARG A 1 76 ? -6.867 3.856 39.837 1.00 23.77 ? 76 ARG A O 1 ATOM 586 C CB . ARG A 1 76 ? -9.593 3.336 41.451 1.00 23.09 ? 76 ARG A CB 1 ATOM 587 C CG . ARG A 1 76 ? -9.332 4.827 41.546 1.00 25.03 ? 76 ARG A CG 1 ATOM 588 C CD . ARG A 1 76 ? -9.779 5.651 40.374 1.00 22.41 ? 76 ARG A CD 1 ATOM 589 N NE . ARG A 1 76 ? -9.377 7.026 40.609 1.00 23.60 ? 76 ARG A NE 1 ATOM 590 C CZ . ARG A 1 76 ? -9.443 8.017 39.723 1.00 23.95 ? 76 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 76 ? -9.884 7.806 38.494 1.00 20.44 ? 76 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 76 ? -9.041 9.243 40.082 1.00 25.44 ? 76 ARG A NH2 1 ATOM 593 N N . GLU A 1 77 ? -6.608 2.004 41.158 1.00 24.06 ? 77 GLU A N 1 ATOM 594 C CA . GLU A 1 77 ? -5.175 2.105 41.233 1.00 23.97 ? 77 GLU A CA 1 ATOM 595 C C . GLU A 1 77 ? -4.513 1.720 39.892 1.00 23.41 ? 77 GLU A C 1 ATOM 596 O O . GLU A 1 77 ? -3.521 2.290 39.510 1.00 20.99 ? 77 GLU A O 1 ATOM 597 C CB . GLU A 1 77 ? -4.579 1.258 42.379 1.00 27.32 ? 77 GLU A CB 1 ATOM 598 C CG . GLU A 1 77 ? -3.043 1.400 42.421 1.00 30.47 ? 77 GLU A CG 1 ATOM 599 C CD . GLU A 1 77 ? -2.421 0.950 43.721 1.00 37.36 ? 77 GLU A CD 1 ATOM 600 O OE1 . GLU A 1 77 ? -3.113 0.357 44.575 1.00 46.04 ? 77 GLU A OE1 1 ATOM 601 O OE2 . GLU A 1 77 ? -1.216 1.192 43.898 1.00 44.76 ? 77 GLU A OE2 1 ATOM 602 N N . VAL A 1 78 ? -5.034 0.699 39.230 1.00 22.11 ? 78 VAL A N 1 ATOM 603 C CA . VAL A 1 78 ? -4.536 0.314 37.911 1.00 23.04 ? 78 VAL A CA 1 ATOM 604 C C . VAL A 1 78 ? -4.860 1.448 36.921 1.00 23.43 ? 78 VAL A C 1 ATOM 605 O O . VAL A 1 78 ? -4.036 1.792 36.079 1.00 21.94 ? 78 VAL A O 1 ATOM 606 C CB . VAL A 1 78 ? -5.159 -1.010 37.384 1.00 20.76 ? 78 VAL A CB 1 ATOM 607 C CG1 . VAL A 1 78 ? -4.585 -1.384 36.026 1.00 20.44 ? 78 VAL A CG1 1 ATOM 608 C CG2 . VAL A 1 78 ? -4.854 -2.134 38.348 1.00 23.19 ? 78 VAL A CG2 1 ATOM 609 N N . SER A 1 79 ? -6.064 1.985 37.023 1.00 23.08 ? 79 SER A N 1 ATOM 610 C CA . SER A 1 79 ? -6.486 3.109 36.128 1.00 24.98 ? 79 SER A CA 1 ATOM 611 C C . SER A 1 79 ? -5.516 4.294 36.329 1.00 25.75 ? 79 SER A C 1 ATOM 612 O O . SER A 1 79 ? -4.970 4.801 35.334 1.00 26.14 ? 79 SER A O 1 ATOM 613 C CB . SER A 1 79 ? -7.934 3.519 36.418 1.00 24.39 ? 79 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? -8.322 4.755 35.828 1.00 21.43 ? 79 SER A OG 1 ATOM 615 N N . ASN A 1 80 ? -5.207 4.614 37.588 1.00 22.28 ? 80 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? -4.340 5.815 37.886 1.00 27.61 ? 80 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? -2.887 5.582 37.405 1.00 27.02 ? 80 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? -2.289 6.508 36.892 1.00 27.26 ? 80 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? -4.255 6.225 39.395 1.00 26.45 ? 80 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? -5.534 6.754 39.966 1.00 29.25 ? 80 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? -6.443 7.187 39.247 1.00 28.24 ? 80 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? -5.637 6.713 41.316 1.00 30.40 ? 80 ASN A ND2 1 ATOM 623 N N . LYS A 1 81 ? -2.320 4.389 37.667 1.00 24.96 ? 81 LYS A N 1 ATOM 624 C CA . LYS A 1 81 ? -0.926 4.123 37.396 1.00 26.09 ? 81 LYS A CA 1 ATOM 625 C C . LYS A 1 81 ? -0.602 3.716 35.988 1.00 23.41 ? 81 LYS A C 1 ATOM 626 O O . LYS A 1 81 ? 0.487 3.952 35.549 1.00 25.12 ? 81 LYS A O 1 ATOM 627 C CB . LYS A 1 81 ? -0.380 3.050 38.345 1.00 30.92 ? 81 LYS A CB 1 ATOM 628 C CG . LYS A 1 81 ? -0.091 3.683 39.667 1.00 36.06 ? 81 LYS A CG 1 ATOM 629 C CD . LYS A 1 81 ? 0.150 2.708 40.795 1.00 42.45 ? 81 LYS A CD 1 ATOM 630 C CE . LYS A 1 81 ? 0.568 3.522 42.015 1.00 42.40 ? 81 LYS A CE 1 ATOM 631 N NZ . LYS A 1 81 ? 0.590 2.625 43.172 1.00 47.54 ? 81 LYS A NZ 1 ATOM 632 N N . ILE A 1 82 ? -1.541 3.085 35.308 1.00 24.85 ? 82 ILE A N 1 ATOM 633 C CA . ILE A 1 82 ? -1.312 2.603 33.935 1.00 25.33 ? 82 ILE A CA 1 ATOM 634 C C . ILE A 1 82 ? -2.102 3.309 32.852 1.00 23.05 ? 82 ILE A C 1 ATOM 635 O O . ILE A 1 82 ? -1.537 3.563 31.772 1.00 24.85 ? 82 ILE A O 1 ATOM 636 C CB . ILE A 1 82 ? -1.487 1.078 33.914 1.00 28.27 ? 82 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 82 ? -0.370 0.500 34.817 1.00 29.42 ? 82 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 82 ? -1.457 0.486 32.494 1.00 28.13 ? 82 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 82 ? -0.546 -0.921 35.171 1.00 38.51 ? 82 ILE A CD1 1 ATOM 640 N N . VAL A 1 83 ? -3.380 3.584 33.104 1.00 23.18 ? 83 VAL A N 1 ATOM 641 C CA . VAL A 1 83 ? -4.341 3.986 32.069 1.00 21.72 ? 83 VAL A CA 1 ATOM 642 C C . VAL A 1 83 ? -4.357 5.514 31.867 1.00 24.22 ? 83 VAL A C 1 ATOM 643 O O . VAL A 1 83 ? -4.627 6.016 30.787 1.00 26.66 ? 83 VAL A O 1 ATOM 644 C CB . VAL A 1 83 ? -5.770 3.452 32.403 1.00 22.98 ? 83 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 83 ? -6.748 3.770 31.315 1.00 24.52 ? 83 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 83 ? -5.778 1.923 32.562 1.00 23.72 ? 83 VAL A CG2 1 ATOM 647 N N . GLY A 1 84 ? -4.004 6.252 32.883 1.00 22.91 ? 84 GLY A N 1 ATOM 648 C CA . GLY A 1 84 ? -4.120 7.696 32.853 1.00 25.30 ? 84 GLY A CA 1 ATOM 649 C C . GLY A 1 84 ? -2.958 8.485 32.298 1.00 26.32 ? 84 GLY A C 1 ATOM 650 O O . GLY A 1 84 ? -1.869 7.952 32.091 1.00 28.80 ? 84 GLY A O 1 ATOM 651 N N . TYR A 1 85 ? -3.220 9.768 32.033 1.00 23.97 ? 85 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? -2.273 10.691 31.456 1.00 24.67 ? 85 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? -2.941 12.077 31.491 1.00 25.92 ? 85 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? -4.144 12.179 31.602 1.00 25.48 ? 85 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? -1.855 10.332 30.001 1.00 24.43 ? 85 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? -2.963 10.554 28.964 1.00 25.99 ? 85 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? -3.920 9.563 28.703 1.00 23.84 ? 85 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? -3.057 11.759 28.244 1.00 24.93 ? 85 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? -4.923 9.760 27.787 1.00 23.54 ? 85 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? -4.088 11.966 27.343 1.00 24.71 ? 85 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? -5.000 10.958 27.108 1.00 24.88 ? 85 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? -6.005 11.144 26.202 1.00 24.55 ? 85 TYR A OH 1 ATOM 663 N N . LEU A 1 86 ? -2.116 13.115 31.436 1.00 27.32 ? 86 LEU A N 1 ATOM 664 C CA . LEU A 1 86 ? -2.547 14.489 31.555 1.00 26.76 ? 86 LEU A CA 1 ATOM 665 C C . LEU A 1 86 ? -2.540 15.150 30.184 1.00 29.07 ? 86 LEU A C 1 ATOM 666 O O . LEU A 1 86 ? -3.498 15.816 29.823 1.00 29.57 ? 86 LEU A O 1 ATOM 667 C CB . LEU A 1 86 ? -1.631 15.226 32.497 1.00 32.48 ? 86 LEU A CB 1 ATOM 668 C CG . LEU A 1 86 ? -1.678 14.900 34.000 1.00 34.15 ? 86 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 86 ? -0.895 15.969 34.759 1.00 38.05 ? 86 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? -3.111 14.889 34.490 1.00 35.81 ? 86 LEU A CD2 1 ATOM 671 N N . ASP A 1 87 ? -1.506 14.925 29.403 1.00 29.62 ? 87 ASP A N 1 ATOM 672 C CA . ASP A 1 87 ? -1.234 15.764 28.244 1.00 31.78 ? 87 ASP A CA 1 ATOM 673 C C . ASP A 1 87 ? -2.007 15.269 27.069 1.00 32.91 ? 87 ASP A C 1 ATOM 674 O O . ASP A 1 87 ? -1.686 14.202 26.548 1.00 33.84 ? 87 ASP A O 1 ATOM 675 C CB . ASP A 1 87 ? 0.272 15.740 27.863 1.00 34.02 ? 87 ASP A CB 1 ATOM 676 C CG . ASP A 1 87 ? 0.613 16.731 26.739 1.00 42.55 ? 87 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 87 ? -0.265 17.511 26.325 1.00 46.60 ? 87 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 87 ? 1.765 16.755 26.252 1.00 54.00 ? 87 ASP A OD2 1 ATOM 679 N N . GLU A 1 88 ? -2.928 16.096 26.579 1.00 32.69 ? 88 GLU A N 1 ATOM 680 C CA . GLU A 1 88 ? -3.779 15.735 25.444 1.00 37.64 ? 88 GLU A CA 1 ATOM 681 C C . GLU A 1 88 ? -3.164 16.059 24.083 1.00 40.28 ? 88 GLU A C 1 ATOM 682 O O . GLU A 1 88 ? -3.728 15.699 23.046 1.00 42.60 ? 88 GLU A O 1 ATOM 683 C CB . GLU A 1 88 ? -5.156 16.371 25.593 1.00 36.17 ? 88 GLU A CB 1 ATOM 684 C CG . GLU A 1 88 ? -5.957 15.865 26.797 1.00 36.92 ? 88 GLU A CG 1 ATOM 685 C CD . GLU A 1 88 ? -6.462 14.439 26.624 1.00 40.70 ? 88 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 88 ? -6.212 13.858 25.531 1.00 41.05 ? 88 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 88 ? -7.116 13.912 27.574 1.00 39.03 ? 88 GLU A OE2 1 ATOM 688 N N . GLU A 1 89 ? -2.018 16.728 24.098 1.00 41.25 ? 89 GLU A N 1 ATOM 689 C CA . GLU A 1 89 ? -1.291 17.092 22.899 1.00 46.09 ? 89 GLU A CA 1 ATOM 690 C C . GLU A 1 89 ? -0.691 15.860 22.290 1.00 44.23 ? 89 GLU A C 1 ATOM 691 O O . GLU A 1 89 ? -0.184 14.984 23.000 1.00 46.66 ? 89 GLU A O 1 ATOM 692 C CB . GLU A 1 89 ? -0.183 18.114 23.214 1.00 53.04 ? 89 GLU A CB 1 ATOM 693 C CG . GLU A 1 89 ? -0.719 19.469 23.690 1.00 57.67 ? 89 GLU A CG 1 ATOM 694 C CD . GLU A 1 89 ? 0.180 20.192 24.699 1.00 62.10 ? 89 GLU A CD 1 ATOM 695 O OE1 . GLU A 1 89 ? 0.094 21.447 24.759 1.00 67.66 ? 89 GLU A OE1 1 ATOM 696 O OE2 . GLU A 1 89 ? 0.963 19.545 25.441 1.00 69.57 ? 89 GLU A OE2 1 ATOM 697 N N . GLY A 1 90 ? -0.750 15.803 20.969 1.00 42.35 ? 90 GLY A N 1 ATOM 698 C CA . GLY A 1 90 ? -0.130 14.736 20.208 1.00 42.50 ? 90 GLY A CA 1 ATOM 699 C C . GLY A 1 90 ? -0.737 13.341 20.366 1.00 41.09 ? 90 GLY A C 1 ATOM 700 O O . GLY A 1 90 ? -0.045 12.339 20.128 1.00 42.02 ? 90 GLY A O 1 ATOM 701 N N . VAL A 1 91 ? -2.011 13.253 20.745 1.00 35.70 ? 91 VAL A N 1 ATOM 702 C CA . VAL A 1 91 ? -2.614 11.942 21.011 1.00 33.43 ? 91 VAL A CA 1 ATOM 703 C C . VAL A 1 91 ? -3.437 11.390 19.852 1.00 32.11 ? 91 VAL A C 1 ATOM 704 O O . VAL A 1 91 ? -3.912 10.234 19.902 1.00 29.42 ? 91 VAL A O 1 ATOM 705 C CB . VAL A 1 91 ? -3.377 11.974 22.363 1.00 37.86 ? 91 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 91 ? -4.763 12.578 22.271 1.00 35.94 ? 91 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 91 ? -3.433 10.603 22.980 1.00 43.25 ? 91 VAL A CG2 1 ATOM 708 N N . LEU A 1 92 ? -3.612 12.176 18.789 1.00 27.66 ? 92 LEU A N 1 ATOM 709 C CA . LEU A 1 92 ? -4.620 11.839 17.772 1.00 29.17 ? 92 LEU A CA 1 ATOM 710 C C . LEU A 1 92 ? -4.057 10.877 16.718 1.00 27.45 ? 92 LEU A C 1 ATOM 711 O O . LEU A 1 92 ? -2.873 10.934 16.418 1.00 29.91 ? 92 LEU A O 1 ATOM 712 C CB . LEU A 1 92 ? -5.186 13.103 17.113 1.00 27.04 ? 92 LEU A CB 1 ATOM 713 C CG . LEU A 1 92 ? -5.801 14.146 18.034 1.00 29.74 ? 92 LEU A CG 1 ATOM 714 C CD1 . LEU A 1 92 ? -6.187 15.377 17.190 1.00 33.37 ? 92 LEU A CD1 1 ATOM 715 C CD2 . LEU A 1 92 ? -7.023 13.601 18.742 1.00 28.43 ? 92 LEU A CD2 1 ATOM 716 N N . ASP A 1 93 ? -4.936 10.013 16.190 1.00 26.38 ? 93 ASP A N 1 ATOM 717 C CA . ASP A 1 93 ? -4.654 9.064 15.128 1.00 24.96 ? 93 ASP A CA 1 ATOM 718 C C . ASP A 1 93 ? -4.650 9.765 13.778 1.00 28.26 ? 93 ASP A C 1 ATOM 719 O O . ASP A 1 93 ? -5.727 10.152 13.281 1.00 30.30 ? 93 ASP A O 1 ATOM 720 C CB . ASP A 1 93 ? -5.741 8.007 15.147 1.00 26.95 ? 93 ASP A CB 1 ATOM 721 C CG . ASP A 1 93 ? -5.425 6.783 14.314 1.00 30.74 ? 93 ASP A CG 1 ATOM 722 O OD1 . ASP A 1 93 ? -4.740 6.906 13.263 1.00 29.42 ? 93 ASP A OD1 1 ATOM 723 O OD2 . ASP A 1 93 ? -5.886 5.676 14.733 1.00 26.80 ? 93 ASP A OD2 1 ATOM 724 N N . GLN A 1 94 ? -3.473 9.859 13.158 1.00 28.21 ? 94 GLN A N 1 ATOM 725 C CA . GLN A 1 94 ? -3.309 10.571 11.875 1.00 33.03 ? 94 GLN A CA 1 ATOM 726 C C . GLN A 1 94 ? -3.973 9.931 10.699 1.00 29.41 ? 94 GLN A C 1 ATOM 727 O O . GLN A 1 94 ? -4.157 10.582 9.679 1.00 28.32 ? 94 GLN A O 1 ATOM 728 C CB . GLN A 1 94 ? -1.803 10.790 11.538 1.00 39.58 ? 94 GLN A CB 1 ATOM 729 C CG . GLN A 1 94 ? -1.050 11.698 12.537 1.00 47.78 ? 94 GLN A CG 1 ATOM 730 C CD . GLN A 1 94 ? -1.652 13.109 12.656 1.00 52.94 ? 94 GLN A CD 1 ATOM 731 O OE1 . GLN A 1 94 ? -1.599 13.864 11.703 1.00 50.94 ? 94 GLN A OE1 1 ATOM 732 N NE2 . GLN A 1 94 ? -2.228 13.459 13.838 1.00 59.65 ? 94 GLN A NE2 1 ATOM 733 N N . ASN A 1 95 ? -4.295 8.655 10.791 1.00 26.75 ? 95 ASN A N 1 ATOM 734 C CA . ASN A 1 95 ? -5.012 7.999 9.732 1.00 28.39 ? 95 ASN A CA 1 ATOM 735 C C . ASN A 1 95 ? -6.341 7.346 10.139 1.00 27.45 ? 95 ASN A C 1 ATOM 736 O O . ASN A 1 95 ? -6.760 6.392 9.497 1.00 30.34 ? 95 ASN A O 1 ATOM 737 C CB . ASN A 1 95 ? -4.060 7.030 9.033 1.00 31.85 ? 95 ASN A CB 1 ATOM 738 C CG . ASN A 1 95 ? -4.560 6.621 7.653 1.00 34.84 ? 95 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 95 ? -5.290 7.392 7.021 1.00 33.59 ? 95 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 95 ? -4.206 5.398 7.199 1.00 37.42 ? 95 ASN A ND2 1 ATOM 741 N N . ARG A 1 96 ? -7.016 7.829 11.192 1.00 26.38 ? 96 ARG A N 1 ATOM 742 C CA . ARG A 1 96 ? -8.446 7.438 11.456 1.00 24.26 ? 96 ARG A CA 1 ATOM 743 C C . ARG A 1 96 ? -9.324 8.622 11.838 1.00 25.39 ? 96 ARG A C 1 ATOM 744 O O . ARG A 1 96 ? -9.030 9.330 12.822 1.00 27.62 ? 96 ARG A O 1 ATOM 745 C CB . ARG A 1 96 ? -8.583 6.367 12.513 1.00 22.75 ? 96 ARG A CB 1 ATOM 746 C CG . ARG A 1 96 ? -7.805 5.089 12.231 1.00 23.44 ? 96 ARG A CG 1 ATOM 747 C CD . ARG A 1 96 ? -8.530 4.118 11.238 1.00 23.07 ? 96 ARG A CD 1 ATOM 748 N NE . ARG A 1 96 ? -7.818 2.854 11.083 1.00 24.41 ? 96 ARG A NE 1 ATOM 749 C CZ . ARG A 1 96 ? -6.709 2.672 10.314 1.00 26.35 ? 96 ARG A CZ 1 ATOM 750 N NH1 . ARG A 1 96 ? -6.150 3.662 9.570 1.00 25.28 ? 96 ARG A NH1 1 ATOM 751 N NH2 . ARG A 1 96 ? -6.167 1.476 10.249 1.00 25.02 ? 96 ARG A NH2 1 ATOM 752 N N . SER A 1 97 ? -10.383 8.841 11.067 1.00 21.75 ? 97 SER A N 1 ATOM 753 C CA . SER A 1 97 ? -11.362 9.846 11.401 1.00 24.76 ? 97 SER A CA 1 ATOM 754 C C . SER A 1 97 ? -12.129 9.529 12.713 1.00 23.85 ? 97 SER A C 1 ATOM 755 O O . SER A 1 97 ? -12.006 8.454 13.258 1.00 21.10 ? 97 SER A O 1 ATOM 756 C CB . SER A 1 97 ? -12.336 10.031 10.261 1.00 27.43 ? 97 SER A CB 1 ATOM 757 O OG . SER A 1 97 ? -13.268 8.986 10.184 1.00 26.00 ? 97 SER A OG 1 ATOM 758 N N . LEU A 1 98 ? -12.847 10.505 13.252 1.00 26.63 ? 98 LEU A N 1 ATOM 759 C CA . LEU A 1 98 ? -13.566 10.308 14.512 1.00 26.51 ? 98 LEU A CA 1 ATOM 760 C C . LEU A 1 98 ? -14.743 9.390 14.270 1.00 27.16 ? 98 LEU A C 1 ATOM 761 O O . LEU A 1 98 ? -15.206 8.754 15.196 1.00 23.42 ? 98 LEU A O 1 ATOM 762 C CB . LEU A 1 98 ? -14.041 11.642 15.119 1.00 30.34 ? 98 LEU A CB 1 ATOM 763 C CG . LEU A 1 98 ? -14.749 11.619 16.505 1.00 28.78 ? 98 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 98 ? -13.835 11.073 17.602 1.00 27.85 ? 98 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 98 ? -15.230 13.004 16.883 1.00 27.67 ? 98 LEU A CD2 1 ATOM 766 N N . LEU A 1 99 ? -15.199 9.292 13.007 1.00 24.52 ? 99 LEU A N 1 ATOM 767 C CA . LEU A 1 99 ? -16.179 8.302 12.620 1.00 24.54 ? 99 LEU A CA 1 ATOM 768 C C . LEU A 1 99 ? -15.748 6.829 12.883 1.00 23.41 ? 99 LEU A C 1 ATOM 769 O O . LEU A 1 99 ? -16.604 6.003 13.231 1.00 24.64 ? 99 LEU A O 1 ATOM 770 C CB . LEU A 1 99 ? -16.594 8.505 11.157 1.00 25.50 ? 99 LEU A CB 1 ATOM 771 C CG . LEU A 1 99 ? -17.557 7.477 10.568 1.00 29.71 ? 99 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 99 ? -18.968 7.551 11.188 1.00 31.09 ? 99 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 99 ? -17.593 7.639 9.062 1.00 31.29 ? 99 LEU A CD2 1 ATOM 774 N N . PHE A 1 100 ? -14.457 6.518 12.731 1.00 22.66 ? 100 PHE A N 1 ATOM 775 C CA . PHE A 1 100 ? -13.885 5.217 13.140 1.00 21.68 ? 100 PHE A CA 1 ATOM 776 C C . PHE A 1 100 ? -14.206 4.844 14.586 1.00 20.65 ? 100 PHE A C 1 ATOM 777 O O . PHE A 1 100 ? -14.709 3.760 14.857 1.00 21.56 ? 100 PHE A O 1 ATOM 778 C CB . PHE A 1 100 ? -12.398 5.227 12.870 1.00 23.93 ? 100 PHE A CB 1 ATOM 779 C CG . PHE A 1 100 ? -11.643 3.973 13.287 1.00 20.62 ? 100 PHE A CG 1 ATOM 780 C CD1 . PHE A 1 100 ? -11.842 2.766 12.649 1.00 22.61 ? 100 PHE A CD1 1 ATOM 781 C CD2 . PHE A 1 100 ? -10.747 4.019 14.349 1.00 20.47 ? 100 PHE A CD2 1 ATOM 782 C CE1 . PHE A 1 100 ? -11.113 1.640 13.027 1.00 20.87 ? 100 PHE A CE1 1 ATOM 783 C CE2 . PHE A 1 100 ? -10.062 2.898 14.749 1.00 20.15 ? 100 PHE A CE2 1 ATOM 784 C CZ . PHE A 1 100 ? -10.247 1.718 14.086 1.00 22.32 ? 100 PHE A CZ 1 ATOM 785 N N . MET A 1 101 ? -13.910 5.714 15.521 1.00 20.14 ? 101 MET A N 1 ATOM 786 C CA . MET A 1 101 ? -14.342 5.526 16.907 1.00 19.60 ? 101 MET A CA 1 ATOM 787 C C . MET A 1 101 ? -15.833 5.314 17.020 1.00 21.23 ? 101 MET A C 1 ATOM 788 O O . MET A 1 101 ? -16.274 4.325 17.609 1.00 19.20 ? 101 MET A O 1 ATOM 789 C CB . MET A 1 101 ? -13.992 6.763 17.748 1.00 18.57 ? 101 MET A CB 1 ATOM 790 C CG . MET A 1 101 ? -14.293 6.628 19.199 1.00 17.97 ? 101 MET A CG 1 ATOM 791 S SD . MET A 1 101 ? -15.997 7.003 19.653 1.00 21.17 ? 101 MET A SD 1 ATOM 792 C CE . MET A 1 101 ? -16.196 8.760 19.310 1.00 18.96 ? 101 MET A CE 1 ATOM 793 N N . GLN A 1 102 ? -16.622 6.230 16.448 1.00 19.07 ? 102 GLN A N 1 ATOM 794 C CA . GLN A 1 102 ? -18.073 6.191 16.650 1.00 21.01 ? 102 GLN A CA 1 ATOM 795 C C . GLN A 1 102 ? -18.773 4.951 16.053 1.00 20.80 ? 102 GLN A C 1 ATOM 796 O O . GLN A 1 102 ? -19.716 4.418 16.655 1.00 22.21 ? 102 GLN A O 1 ATOM 797 C CB . GLN A 1 102 ? -18.742 7.475 16.081 1.00 22.88 ? 102 GLN A CB 1 ATOM 798 C CG . GLN A 1 102 ? -20.171 7.679 16.513 1.00 22.27 ? 102 GLN A CG 1 ATOM 799 C CD . GLN A 1 102 ? -20.265 7.563 18.024 1.00 23.57 ? 102 GLN A CD 1 ATOM 800 O OE1 . GLN A 1 102 ? -19.802 8.424 18.721 1.00 22.20 ? 102 GLN A OE1 1 ATOM 801 N NE2 . GLN A 1 102 ? -20.790 6.450 18.521 1.00 23.54 ? 102 GLN A NE2 1 ATOM 802 N N . TRP A 1 103 ? -18.375 4.544 14.845 1.00 21.56 ? 103 TRP A N 1 ATOM 803 C CA . TRP A 1 103 ? -18.970 3.370 14.206 1.00 21.20 ? 103 TRP A CA 1 ATOM 804 C C . TRP A 1 103 ? -18.735 2.165 15.124 1.00 20.05 ? 103 TRP A C 1 ATOM 805 O O . TRP A 1 103 ? -19.620 1.407 15.334 1.00 22.85 ? 103 TRP A O 1 ATOM 806 C CB . TRP A 1 103 ? -18.344 3.087 12.810 1.00 20.46 ? 103 TRP A CB 1 ATOM 807 C CG . TRP A 1 103 ? -19.058 2.005 12.152 1.00 20.15 ? 103 TRP A CG 1 ATOM 808 C CD1 . TRP A 1 103 ? -18.649 0.723 12.023 1.00 22.94 ? 103 TRP A CD1 1 ATOM 809 C CD2 . TRP A 1 103 ? -20.390 2.061 11.637 1.00 20.81 ? 103 TRP A CD2 1 ATOM 810 N NE1 . TRP A 1 103 ? -19.624 -0.033 11.373 1.00 22.40 ? 103 TRP A NE1 1 ATOM 811 C CE2 . TRP A 1 103 ? -20.719 0.764 11.163 1.00 21.49 ? 103 TRP A CE2 1 ATOM 812 C CE3 . TRP A 1 103 ? -21.338 3.088 11.503 1.00 22.31 ? 103 TRP A CE3 1 ATOM 813 C CZ2 . TRP A 1 103 ? -21.945 0.476 10.543 1.00 21.20 ? 103 TRP A CZ2 1 ATOM 814 C CZ3 . TRP A 1 103 ? -22.575 2.791 10.910 1.00 22.39 ? 103 TRP A CZ3 1 ATOM 815 C CH2 . TRP A 1 103 ? -22.841 1.493 10.395 1.00 21.79 ? 103 TRP A CH2 1 ATOM 816 N N . GLY A 1 104 ? -17.535 2.017 15.676 1.00 19.96 ? 104 GLY A N 1 ATOM 817 C CA . GLY A 1 104 ? -17.262 0.954 16.630 1.00 21.85 ? 104 GLY A CA 1 ATOM 818 C C . GLY A 1 104 ? -18.274 0.914 17.807 1.00 19.72 ? 104 GLY A C 1 ATOM 819 O O . GLY A 1 104 ? -18.775 -0.134 18.157 1.00 19.70 ? 104 GLY A O 1 ATOM 820 N N . GLN A 1 105 ? -18.598 2.039 18.383 1.00 18.37 ? 105 GLN A N 1 ATOM 821 C CA . GLN A 1 105 ? -19.589 2.048 19.433 1.00 22.23 ? 105 GLN A CA 1 ATOM 822 C C . GLN A 1 105 ? -20.995 1.563 18.940 1.00 22.03 ? 105 GLN A C 1 ATOM 823 O O . GLN A 1 105 ? -21.659 0.804 19.644 1.00 21.66 ? 105 GLN A O 1 ATOM 824 C CB . GLN A 1 105 ? -19.681 3.400 20.147 1.00 21.13 ? 105 GLN A CB 1 ATOM 825 C CG . GLN A 1 105 ? -20.392 3.309 21.477 1.00 22.96 ? 105 GLN A CG 1 ATOM 826 C CD . GLN A 1 105 ? -20.540 4.632 22.217 1.00 22.65 ? 105 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 105 ? -20.603 5.684 21.610 1.00 21.43 ? 105 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 105 ? -20.684 4.573 23.510 1.00 19.94 ? 105 GLN A NE2 1 ATOM 829 N N . ILE A 1 106 ? -21.381 2.002 17.744 1.00 20.40 ? 106 ILE A N 1 ATOM 830 C CA . ILE A 1 106 ? -22.622 1.610 17.104 1.00 21.22 ? 106 ILE A CA 1 ATOM 831 C C . ILE A 1 106 ? -22.666 0.112 16.966 1.00 20.82 ? 106 ILE A C 1 ATOM 832 O O . ILE A 1 106 ? -23.650 -0.527 17.321 1.00 19.98 ? 106 ILE A O 1 ATOM 833 C CB . ILE A 1 106 ? -22.757 2.270 15.714 1.00 24.02 ? 106 ILE A CB 1 ATOM 834 C CG1 . ILE A 1 106 ? -23.100 3.760 15.862 1.00 23.16 ? 106 ILE A CG1 1 ATOM 835 C CG2 . ILE A 1 106 ? -23.738 1.545 14.759 1.00 26.62 ? 106 ILE A CG2 1 ATOM 836 C CD1 . ILE A 1 106 ? -24.467 4.062 16.444 1.00 25.64 ? 106 ILE A CD1 1 ATOM 837 N N . VAL A 1 107 ? -21.612 -0.441 16.415 1.00 22.07 ? 107 VAL A N 1 ATOM 838 C CA . VAL A 1 107 ? -21.542 -1.899 16.223 1.00 21.98 ? 107 VAL A CA 1 ATOM 839 C C . VAL A 1 107 ? -21.694 -2.649 17.555 1.00 22.22 ? 107 VAL A C 1 ATOM 840 O O . VAL A 1 107 ? -22.503 -3.583 17.651 1.00 24.21 ? 107 VAL A O 1 ATOM 841 C CB . VAL A 1 107 ? -20.273 -2.303 15.448 1.00 21.35 ? 107 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 107 ? -20.206 -3.805 15.320 1.00 22.86 ? 107 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 107 ? -20.360 -1.730 14.014 1.00 22.01 ? 107 VAL A CG2 1 ATOM 844 N N . ASP A 1 108 ? -20.925 -2.236 18.546 1.00 20.19 ? 108 ASP A N 1 ATOM 845 C CA . ASP A 1 108 ? -20.938 -2.812 19.919 1.00 21.85 ? 108 ASP A CA 1 ATOM 846 C C . ASP A 1 108 ? -22.392 -2.812 20.476 1.00 21.29 ? 108 ASP A C 1 ATOM 847 O O . ASP A 1 108 ? -22.876 -3.801 20.992 1.00 22.09 ? 108 ASP A O 1 ATOM 848 C CB . ASP A 1 108 ? -19.981 -1.984 20.816 1.00 20.25 ? 108 ASP A CB 1 ATOM 849 C CG . ASP A 1 108 ? -19.918 -2.475 22.220 1.00 22.96 ? 108 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 108 ? -20.966 -2.353 22.955 1.00 21.47 ? 108 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 108 ? -18.792 -2.939 22.627 1.00 23.71 ? 108 ASP A OD2 1 ATOM 852 N N . HIS A 1 109 ? -23.100 -1.730 20.255 1.00 21.67 ? 109 HIS A N 1 ATOM 853 C CA . HIS A 1 109 ? -24.450 -1.560 20.823 1.00 19.97 ? 109 HIS A CA 1 ATOM 854 C C . HIS A 1 109 ? -25.489 -2.408 20.097 1.00 19.14 ? 109 HIS A C 1 ATOM 855 O O . HIS A 1 109 ? -26.488 -2.770 20.718 1.00 20.45 ? 109 HIS A O 1 ATOM 856 C CB . HIS A 1 109 ? -24.850 -0.085 20.868 1.00 19.80 ? 109 HIS A CB 1 ATOM 857 C CG . HIS A 1 109 ? -24.163 0.688 21.960 1.00 21.52 ? 109 HIS A CG 1 ATOM 858 N ND1 . HIS A 1 109 ? -24.488 1.979 22.324 1.00 22.66 ? 109 HIS A ND1 1 ATOM 859 C CD2 . HIS A 1 109 ? -23.190 0.310 22.806 1.00 22.55 ? 109 HIS A CD2 1 ATOM 860 C CE1 . HIS A 1 109 ? -23.749 2.362 23.336 1.00 22.37 ? 109 HIS A CE1 1 ATOM 861 N NE2 . HIS A 1 109 ? -22.945 1.364 23.642 1.00 24.75 ? 109 HIS A NE2 1 ATOM 862 N N . ASP A 1 110 ? -25.247 -2.736 18.817 1.00 19.48 ? 110 ASP A N 1 ATOM 863 C CA . ASP A 1 110 ? -26.089 -3.706 18.067 1.00 20.49 ? 110 ASP A CA 1 ATOM 864 C C . ASP A 1 110 ? -25.917 -5.131 18.650 1.00 19.17 ? 110 ASP A C 1 ATOM 865 O O . ASP A 1 110 ? -26.866 -5.904 18.716 1.00 23.01 ? 110 ASP A O 1 ATOM 866 C CB . ASP A 1 110 ? -25.681 -3.667 16.582 1.00 23.07 ? 110 ASP A CB 1 ATOM 867 C CG . ASP A 1 110 ? -26.718 -4.278 15.623 1.00 27.48 ? 110 ASP A CG 1 ATOM 868 O OD1 . ASP A 1 110 ? -27.220 -5.397 15.861 1.00 28.41 ? 110 ASP A OD1 1 ATOM 869 O OD2 . ASP A 1 110 ? -26.957 -3.628 14.570 1.00 30.96 ? 110 ASP A OD2 1 ATOM 870 N N . LEU A 1 111 ? -24.715 -5.470 19.075 1.00 18.76 ? 111 LEU A N 1 ATOM 871 C CA . LEU A 1 111 ? -24.344 -6.836 19.429 1.00 17.61 ? 111 LEU A CA 1 ATOM 872 C C . LEU A 1 111 ? -24.507 -7.145 20.899 1.00 20.23 ? 111 LEU A C 1 ATOM 873 O O . LEU A 1 111 ? -24.905 -8.253 21.254 1.00 23.18 ? 111 LEU A O 1 ATOM 874 C CB . LEU A 1 111 ? -22.873 -7.058 19.071 1.00 17.17 ? 111 LEU A CB 1 ATOM 875 C CG . LEU A 1 111 ? -22.514 -6.954 17.586 1.00 18.13 ? 111 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 111 ? -21.035 -7.219 17.343 1.00 17.20 ? 111 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 111 ? -23.352 -7.865 16.693 1.00 19.74 ? 111 LEU A CD2 1 ATOM 878 N N . ASP A 1 112 ? -24.143 -6.222 21.791 1.00 22.04 ? 112 ASP A N 1 ATOM 879 C CA . ASP A 1 112 ? -24.215 -6.552 23.216 1.00 23.31 ? 112 ASP A CA 1 ATOM 880 C C . ASP A 1 112 ? -24.644 -5.492 24.187 1.00 22.81 ? 112 ASP A C 1 ATOM 881 O O . ASP A 1 112 ? -24.353 -4.290 24.003 1.00 21.89 ? 112 ASP A O 1 ATOM 882 C CB . ASP A 1 112 ? -22.936 -7.227 23.694 1.00 27.37 ? 112 ASP A CB 1 ATOM 883 C CG . ASP A 1 112 ? -21.643 -6.514 23.261 1.00 28.39 ? 112 ASP A CG 1 ATOM 884 O OD1 . ASP A 1 112 ? -21.168 -6.768 22.148 1.00 32.55 ? 112 ASP A OD1 1 ATOM 885 O OD2 . ASP A 1 112 ? -21.028 -5.819 24.086 1.00 31.34 ? 112 ASP A OD2 1 ATOM 886 N N . PHE A 1 113 ? -25.351 -5.951 25.221 1.00 23.66 ? 113 PHE A N 1 ATOM 887 C CA . PHE A 1 113 ? -25.744 -5.107 26.376 1.00 25.83 ? 113 PHE A CA 1 ATOM 888 C C . PHE A 1 113 ? -26.023 -5.981 27.625 1.00 25.40 ? 113 PHE A C 1 ATOM 889 O O . PHE A 1 113 ? -26.991 -6.727 27.661 1.00 23.03 ? 113 PHE A O 1 ATOM 890 C CB . PHE A 1 113 ? -26.918 -4.230 26.059 1.00 28.67 ? 113 PHE A CB 1 ATOM 891 C CG . PHE A 1 113 ? -27.319 -3.274 27.166 1.00 36.97 ? 113 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 113 ? -26.392 -2.681 28.011 1.00 39.13 ? 113 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 113 ? -28.666 -2.887 27.288 1.00 45.01 ? 113 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 113 ? -26.797 -1.796 28.997 1.00 41.70 ? 113 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 113 ? -29.068 -1.984 28.261 1.00 44.03 ? 113 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 113 ? -28.135 -1.445 29.118 1.00 41.85 ? 113 PHE A CZ 1 ATOM 897 N N . ALA A 1 114 ? -25.141 -5.900 28.614 1.00 24.87 ? 114 ALA A N 1 ATOM 898 C CA . ALA A 1 114 ? -25.292 -6.636 29.891 1.00 30.23 ? 114 ALA A CA 1 ATOM 899 C C . ALA A 1 114 ? -25.684 -5.618 30.915 1.00 31.26 ? 114 ALA A C 1 ATOM 900 O O . ALA A 1 114 ? -24.815 -4.979 31.468 1.00 31.47 ? 114 ALA A O 1 ATOM 901 C CB . ALA A 1 114 ? -23.998 -7.340 30.312 1.00 28.40 ? 114 ALA A CB 1 ATOM 902 N N . PRO A 1 115 ? -26.991 -5.436 31.134 1.00 35.98 ? 115 PRO A N 1 ATOM 903 C CA . PRO A 1 115 ? -27.449 -4.372 32.040 1.00 42.67 ? 115 PRO A CA 1 ATOM 904 C C . PRO A 1 115 ? -27.262 -4.735 33.514 1.00 36.95 ? 115 PRO A C 1 ATOM 905 O O . PRO A 1 115 ? -27.231 -5.896 33.867 1.00 36.71 ? 115 PRO A O 1 ATOM 906 C CB . PRO A 1 115 ? -28.929 -4.261 31.698 1.00 43.08 ? 115 PRO A CB 1 ATOM 907 C CG . PRO A 1 115 ? -29.286 -5.689 31.447 1.00 44.71 ? 115 PRO A CG 1 ATOM 908 C CD . PRO A 1 115 ? -28.094 -6.332 30.762 1.00 39.78 ? 115 PRO A CD 1 ATOM 909 N N . GLU A 1 116 ? -27.096 -3.723 34.334 1.00 43.78 ? 116 GLU A N 1 ATOM 910 C CA . GLU A 1 116 ? -27.034 -3.876 35.798 1.00 48.72 ? 116 GLU A CA 1 ATOM 911 C C . GLU A 1 116 ? -28.288 -4.395 36.439 1.00 56.16 ? 116 GLU A C 1 ATOM 912 O O . GLU A 1 116 ? -29.395 -4.182 35.957 1.00 64.45 ? 116 GLU A O 1 ATOM 913 C CB . GLU A 1 116 ? -26.717 -2.560 36.475 1.00 49.11 ? 116 GLU A CB 1 ATOM 914 C CG . GLU A 1 116 ? -25.312 -2.086 36.200 1.00 53.66 ? 116 GLU A CG 1 ATOM 915 C CD . GLU A 1 116 ? -25.066 -0.681 36.698 1.00 57.23 ? 116 GLU A CD 1 ATOM 916 O OE1 . GLU A 1 116 ? -25.804 -0.194 37.574 1.00 61.13 ? 116 GLU A OE1 1 ATOM 917 O OE2 . GLU A 1 116 ? -24.100 -0.062 36.218 1.00 66.75 ? 116 GLU A OE2 1 ATOM 918 N N . THR A 1 117 ? -28.060 -5.076 37.556 1.00 70.56 ? 117 THR A N 1 ATOM 919 C CA . THR A 1 117 ? -29.083 -5.561 38.469 1.00 72.79 ? 117 THR A CA 1 ATOM 920 C C . THR A 1 117 ? -29.989 -4.390 38.886 1.00 80.03 ? 117 THR A C 1 ATOM 921 O O . THR A 1 117 ? -29.524 -3.415 39.481 1.00 66.71 ? 117 THR A O 1 ATOM 922 C CB . THR A 1 117 ? -28.422 -6.213 39.720 1.00 73.79 ? 117 THR A CB 1 ATOM 923 O OG1 . THR A 1 117 ? -27.440 -5.320 40.272 1.00 61.62 ? 117 THR A OG1 1 ATOM 924 C CG2 . THR A 1 117 ? -27.740 -7.575 39.361 1.00 76.55 ? 117 THR A CG2 1 ATOM 925 N N . GLU A 1 118 ? -31.281 -4.517 38.558 1.00 100.63 ? 118 GLU A N 1 ATOM 926 C CA . GLU A 1 118 ? -32.285 -3.441 38.680 1.00 106.80 ? 118 GLU A CA 1 ATOM 927 C C . GLU A 1 118 ? -32.857 -3.263 40.089 1.00 117.89 ? 118 GLU A C 1 ATOM 928 O O . GLU A 1 118 ? -33.689 -2.369 40.289 1.00 118.25 ? 118 GLU A O 1 ATOM 929 C CB . GLU A 1 118 ? -33.484 -3.721 37.756 1.00 103.43 ? 118 GLU A CB 1 ATOM 930 C CG . GLU A 1 118 ? -33.201 -3.711 36.269 1.00 106.54 ? 118 GLU A CG 1 ATOM 931 C CD . GLU A 1 118 ? -34.304 -4.390 35.475 1.00 109.63 ? 118 GLU A CD 1 ATOM 932 O OE1 . GLU A 1 118 ? -33.988 -5.287 34.667 1.00 106.34 ? 118 GLU A OE1 1 ATOM 933 O OE2 . GLU A 1 118 ? -35.490 -4.036 35.670 1.00 107.40 ? 118 GLU A OE2 1 ATOM 934 N N . LEU A 1 119 ? -32.421 -4.088 41.050 1.00 120.04 ? 119 LEU A N 1 ATOM 935 C CA . LEU A 1 119 ? -33.110 -4.242 42.346 1.00 123.16 ? 119 LEU A CA 1 ATOM 936 C C . LEU A 1 119 ? -33.163 -2.936 43.146 1.00 124.57 ? 119 LEU A C 1 ATOM 937 O O . LEU A 1 119 ? -34.169 -2.627 43.775 1.00 129.20 ? 119 LEU A O 1 ATOM 938 C CB . LEU A 1 119 ? -32.459 -5.334 43.217 1.00 122.78 ? 119 LEU A CB 1 ATOM 939 C CG . LEU A 1 119 ? -31.889 -6.650 42.655 1.00 121.38 ? 119 LEU A CG 1 ATOM 940 C CD1 . LEU A 1 119 ? -31.727 -7.656 43.789 1.00 122.13 ? 119 LEU A CD1 1 ATOM 941 C CD2 . LEU A 1 119 ? -32.729 -7.253 41.542 1.00 121.97 ? 119 LEU A CD2 1 ATOM 942 N N . GLY A 1 120 ? -32.077 -2.170 43.089 1.00 132.75 ? 120 GLY A N 1 ATOM 943 C CA . GLY A 1 120 ? -31.950 -0.900 43.795 1.00 139.67 ? 120 GLY A CA 1 ATOM 944 C C . GLY A 1 120 ? -33.110 0.089 43.803 1.00 145.93 ? 120 GLY A C 1 ATOM 945 O O . GLY A 1 120 ? -33.238 0.872 44.743 1.00 138.64 ? 120 GLY A O 1 ATOM 946 N N . SER A 1 121 ? -33.937 0.074 42.755 1.00 157.46 ? 121 SER A N 1 ATOM 947 C CA . SER A 1 121 ? -35.159 0.893 42.706 1.00 161.88 ? 121 SER A CA 1 ATOM 948 C C . SER A 1 121 ? -36.169 0.400 43.746 1.00 172.44 ? 121 SER A C 1 ATOM 949 O O . SER A 1 121 ? -36.017 -0.695 44.297 1.00 183.72 ? 121 SER A O 1 ATOM 950 C CB . SER A 1 121 ? -35.786 0.874 41.305 1.00 151.76 ? 121 SER A CB 1 ATOM 951 O OG . SER A 1 121 ? -34.799 0.656 40.313 1.00 148.69 ? 121 SER A OG 1 ATOM 952 N N . ASN A 1 122 ? -37.182 1.224 44.027 1.00 169.73 ? 122 ASN A N 1 ATOM 953 C CA . ASN A 1 122 ? -38.176 0.942 45.083 1.00 161.13 ? 122 ASN A CA 1 ATOM 954 C C . ASN A 1 122 ? -37.514 0.726 46.470 1.00 160.64 ? 122 ASN A C 1 ATOM 955 O O . ASN A 1 122 ? -38.083 0.065 47.347 1.00 159.33 ? 122 ASN A O 1 ATOM 956 C CB . ASN A 1 122 ? -39.036 -0.277 44.675 1.00 151.74 ? 122 ASN A CB 1 ATOM 957 C CG . ASN A 1 122 ? -40.453 -0.240 45.249 1.00 140.88 ? 122 ASN A CG 1 ATOM 958 O OD1 . ASN A 1 122 ? -41.098 0.810 45.294 1.00 136.83 ? 122 ASN A OD1 1 ATOM 959 N ND2 . ASN A 1 122 ? -40.955 -1.401 45.660 1.00 130.06 ? 122 ASN A ND2 1 ATOM 960 N N . GLU A 1 123 ? -36.327 1.313 46.660 1.00 155.21 ? 123 GLU A N 1 ATOM 961 C CA . GLU A 1 123 ? -35.452 1.029 47.808 1.00 142.56 ? 123 GLU A CA 1 ATOM 962 C C . GLU A 1 123 ? -34.319 2.071 47.885 1.00 142.56 ? 123 GLU A C 1 ATOM 963 O O . GLU A 1 123 ? -33.910 2.614 46.855 1.00 136.76 ? 123 GLU A O 1 ATOM 964 C CB . GLU A 1 123 ? -34.868 -0.382 47.688 1.00 128.62 ? 123 GLU A CB 1 ATOM 965 C CG . GLU A 1 123 ? -34.121 -0.856 48.927 1.00 122.85 ? 123 GLU A CG 1 ATOM 966 C CD . GLU A 1 123 ? -34.097 -2.368 49.084 1.00 119.08 ? 123 GLU A CD 1 ATOM 967 O OE1 . GLU A 1 123 ? -34.983 -3.056 48.539 1.00 119.98 ? 123 GLU A OE1 1 ATOM 968 O OE2 . GLU A 1 123 ? -33.185 -2.876 49.772 1.00 108.97 ? 123 GLU A OE2 1 ATOM 969 N N . HIS A 1 124 ? -33.835 2.354 49.099 1.00 142.48 ? 124 HIS A N 1 ATOM 970 C CA . HIS A 1 124 ? -32.694 3.276 49.304 1.00 142.91 ? 124 HIS A CA 1 ATOM 971 C C . HIS A 1 124 ? -31.351 2.558 49.552 1.00 150.89 ? 124 HIS A C 1 ATOM 972 O O . HIS A 1 124 ? -30.300 3.138 49.279 1.00 159.15 ? 124 HIS A O 1 ATOM 973 C CB . HIS A 1 124 ? -32.982 4.305 50.415 1.00 135.29 ? 124 HIS A CB 1 ATOM 974 C CG . HIS A 1 124 ? -32.836 3.770 51.807 1.00 131.92 ? 124 HIS A CG 1 ATOM 975 N ND1 . HIS A 1 124 ? -31.609 3.560 52.403 1.00 134.61 ? 124 HIS A ND1 1 ATOM 976 C CD2 . HIS A 1 124 ? -33.764 3.419 52.727 1.00 131.38 ? 124 HIS A CD2 1 ATOM 977 C CE1 . HIS A 1 124 ? -31.788 3.091 53.624 1.00 134.42 ? 124 HIS A CE1 1 ATOM 978 N NE2 . HIS A 1 124 ? -33.087 2.997 53.846 1.00 137.29 ? 124 HIS A NE2 1 ATOM 979 N N . SER A 1 125 ? -31.377 1.319 50.066 1.00 146.25 ? 125 SER A N 1 ATOM 980 C CA . SER A 1 125 ? -30.150 0.491 50.199 1.00 136.06 ? 125 SER A CA 1 ATOM 981 C C . SER A 1 125 ? -29.231 0.601 48.951 1.00 127.89 ? 125 SER A C 1 ATOM 982 O O . SER A 1 125 ? -27.998 0.521 49.044 1.00 127.56 ? 125 SER A O 1 ATOM 983 C CB . SER A 1 125 ? -30.477 -0.979 50.522 1.00 134.52 ? 125 SER A CB 1 ATOM 984 O OG . SER A 1 125 ? -30.556 -1.781 49.356 1.00 140.03 ? 125 SER A OG 1 ATOM 985 N N . LYS A 1 126 ? -29.860 0.796 47.794 1.00 120.77 ? 126 LYS A N 1 ATOM 986 C CA . LYS A 1 126 ? -29.176 1.215 46.581 1.00 120.25 ? 126 LYS A CA 1 ATOM 987 C C . LYS A 1 126 ? -28.459 2.547 46.726 1.00 121.24 ? 126 LYS A C 1 ATOM 988 O O . LYS A 1 126 ? -27.286 2.595 46.425 1.00 133.21 ? 126 LYS A O 1 ATOM 989 C CB . LYS A 1 126 ? -30.157 1.290 45.428 1.00 118.44 ? 126 LYS A CB 1 ATOM 990 C CG . LYS A 1 126 ? -29.553 1.678 44.073 1.00 119.84 ? 126 LYS A CG 1 ATOM 991 C CD . LYS A 1 126 ? -30.525 2.451 43.195 1.00 117.71 ? 126 LYS A CD 1 ATOM 992 C CE . LYS A 1 126 ? -31.158 3.613 43.948 1.00 123.53 ? 126 LYS A CE 1 ATOM 993 N NZ . LYS A 1 126 ? -31.486 4.768 43.079 1.00 129.44 ? 126 LYS A NZ 1 ATOM 994 N N . THR A 1 127 ? -29.174 3.602 47.132 1.00 116.62 ? 127 THR A N 1 ATOM 995 C CA . THR A 1 127 ? -28.588 4.909 47.531 1.00 119.38 ? 127 THR A CA 1 ATOM 996 C C . THR A 1 127 ? -27.580 4.813 48.716 1.00 113.51 ? 127 THR A C 1 ATOM 997 O O . THR A 1 127 ? -26.667 5.628 48.845 1.00 114.53 ? 127 THR A O 1 ATOM 998 C CB . THR A 1 127 ? -29.683 5.980 47.771 1.00 120.33 ? 127 THR A CB 1 ATOM 999 O OG1 . THR A 1 127 ? -30.670 5.894 46.731 1.00 124.53 ? 127 THR A OG1 1 ATOM 1000 C CG2 . THR A 1 127 ? -29.092 7.395 47.751 1.00 118.00 ? 127 THR A CG2 1 ATOM 1001 N N . GLN A 1 128 ? -27.736 3.789 49.546 1.00 112.85 ? 128 GLN A N 1 ATOM 1002 C CA . GLN A 1 128 ? -26.785 3.475 50.630 1.00 112.90 ? 128 GLN A CA 1 ATOM 1003 C C . GLN A 1 128 ? -25.435 2.889 50.152 1.00 112.84 ? 128 GLN A C 1 ATOM 1004 O O . GLN A 1 128 ? -24.391 3.212 50.744 1.00 113.38 ? 128 GLN A O 1 ATOM 1005 C CB . GLN A 1 128 ? -27.491 2.591 51.678 1.00 116.23 ? 128 GLN A CB 1 ATOM 1006 C CG . GLN A 1 128 ? -26.658 1.659 52.555 1.00 118.84 ? 128 GLN A CG 1 ATOM 1007 C CD . GLN A 1 128 ? -27.445 1.146 53.770 1.00 123.41 ? 128 GLN A CD 1 ATOM 1008 O OE1 . GLN A 1 128 ? -28.631 1.476 53.959 1.00 124.57 ? 128 GLN A OE1 1 ATOM 1009 N NE2 . GLN A 1 128 ? -26.784 0.340 54.606 1.00 114.32 ? 128 GLN A NE2 1 ATOM 1010 N N . CYS A 1 129 ? -25.459 2.052 49.103 1.00 106.83 ? 129 CYS A N 1 ATOM 1011 C CA . CYS A 1 129 ? -24.231 1.550 48.422 1.00 98.26 ? 129 CYS A CA 1 ATOM 1012 C C . CYS A 1 129 ? -23.253 2.723 48.184 1.00 98.46 ? 129 CYS A C 1 ATOM 1013 O O . CYS A 1 129 ? -22.110 2.704 48.647 1.00 105.36 ? 129 CYS A O 1 ATOM 1014 C CB . CYS A 1 129 ? -24.616 0.815 47.101 1.00 95.97 ? 129 CYS A CB 1 ATOM 1015 S SG . CYS A 1 129 ? -23.338 0.052 46.023 1.00 97.76 ? 129 CYS A SG 1 ATOM 1016 N N . GLU A 1 130 ? -23.769 3.766 47.540 1.00 98.66 ? 130 GLU A N 1 ATOM 1017 C CA . GLU A 1 130 ? -23.036 5.017 47.219 1.00 97.93 ? 130 GLU A CA 1 ATOM 1018 C C . GLU A 1 130 ? -22.716 5.882 48.411 1.00 90.06 ? 130 GLU A C 1 ATOM 1019 O O . GLU A 1 130 ? -21.602 6.429 48.511 1.00 72.37 ? 130 GLU A O 1 ATOM 1020 C CB . GLU A 1 130 ? -23.770 5.902 46.180 1.00 92.90 ? 130 GLU A CB 1 ATOM 1021 C CG . GLU A 1 130 ? -25.245 6.168 46.374 1.00 93.89 ? 130 GLU A CG 1 ATOM 1022 C CD . GLU A 1 130 ? -26.058 4.969 45.987 1.00 93.99 ? 130 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 130 ? -25.799 3.914 46.609 1.00 98.89 ? 130 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 130 ? -26.950 5.070 45.115 1.00 92.27 ? 130 GLU A OE2 1 ATOM 1025 N N . GLU A 1 131 ? -23.697 6.029 49.291 1.00 89.38 ? 131 GLU A N 1 ATOM 1026 C CA . GLU A 1 131 ? -23.531 6.905 50.442 1.00 96.21 ? 131 GLU A CA 1 ATOM 1027 C C . GLU A 1 131 ? -22.427 6.378 51.378 1.00 91.99 ? 131 GLU A C 1 ATOM 1028 O O . GLU A 1 131 ? -21.542 7.135 51.780 1.00 94.85 ? 131 GLU A O 1 ATOM 1029 C CB . GLU A 1 131 ? -24.863 7.097 51.175 1.00 104.70 ? 131 GLU A CB 1 ATOM 1030 C CG . GLU A 1 131 ? -25.059 8.489 51.758 1.00 112.35 ? 131 GLU A CG 1 ATOM 1031 C CD . GLU A 1 131 ? -26.508 8.766 52.101 1.00 121.37 ? 131 GLU A CD 1 ATOM 1032 O OE1 . GLU A 1 131 ? -26.785 9.053 53.285 1.00 130.14 ? 131 GLU A OE1 1 ATOM 1033 O OE2 . GLU A 1 131 ? -27.368 8.675 51.194 1.00 120.12 ? 131 GLU A OE2 1 ATOM 1034 N N . TYR A 1 132 ? -22.436 5.075 51.653 1.00 81.89 ? 132 TYR A N 1 ATOM 1035 C CA . TYR A 1 132 ? -21.540 4.499 52.654 1.00 77.83 ? 132 TYR A CA 1 ATOM 1036 C C . TYR A 1 132 ? -20.433 3.573 52.109 1.00 73.40 ? 132 TYR A C 1 ATOM 1037 O O . TYR A 1 132 ? -19.612 3.091 52.900 1.00 70.40 ? 132 TYR A O 1 ATOM 1038 C CB . TYR A 1 132 ? -22.376 3.784 53.720 1.00 83.15 ? 132 TYR A CB 1 ATOM 1039 C CG . TYR A 1 132 ? -23.432 4.674 54.341 1.00 88.80 ? 132 TYR A CG 1 ATOM 1040 C CD1 . TYR A 1 132 ? -23.108 5.564 55.358 1.00 95.83 ? 132 TYR A CD1 1 ATOM 1041 C CD2 . TYR A 1 132 ? -24.753 4.640 53.899 1.00 96.03 ? 132 TYR A CD2 1 ATOM 1042 C CE1 . TYR A 1 132 ? -24.072 6.391 55.930 1.00 100.00 ? 132 TYR A CE1 1 ATOM 1043 C CE2 . TYR A 1 132 ? -25.729 5.465 54.453 1.00 100.12 ? 132 TYR A CE2 1 ATOM 1044 C CZ . TYR A 1 132 ? -25.384 6.338 55.474 1.00 106.75 ? 132 TYR A CZ 1 ATOM 1045 O OH . TYR A 1 132 ? -26.342 7.157 56.034 1.00 115.30 ? 132 TYR A OH 1 ATOM 1046 N N . CYS A 1 133 ? -20.378 3.347 50.789 1.00 60.39 ? 133 CYS A N 1 ATOM 1047 C CA . CYS A 1 133 ? -19.340 2.497 50.184 1.00 54.91 ? 133 CYS A CA 1 ATOM 1048 C C . CYS A 1 133 ? -19.313 1.094 50.799 1.00 51.37 ? 133 CYS A C 1 ATOM 1049 O O . CYS A 1 133 ? -18.243 0.588 51.094 1.00 50.07 ? 133 CYS A O 1 ATOM 1050 C CB . CYS A 1 133 ? -17.929 3.146 50.289 1.00 55.08 ? 133 CYS A CB 1 ATOM 1051 S SG . CYS A 1 133 ? -17.668 4.646 49.305 1.00 54.95 ? 133 CYS A SG 1 ATOM 1052 N N . ILE A 1 134 ? -20.479 0.476 50.973 1.00 52.75 ? 134 ILE A N 1 ATOM 1053 C CA . ILE A 1 134 ? -20.586 -0.852 51.629 1.00 60.43 ? 134 ILE A CA 1 ATOM 1054 C C . ILE A 1 134 ? -20.702 -2.001 50.632 1.00 49.39 ? 134 ILE A C 1 ATOM 1055 O O . ILE A 1 134 ? -21.628 -2.026 49.849 1.00 50.82 ? 134 ILE A O 1 ATOM 1056 C CB . ILE A 1 134 ? -21.797 -0.896 52.597 1.00 66.48 ? 134 ILE A CB 1 ATOM 1057 C CG1 . ILE A 1 134 ? -21.466 -0.091 53.847 1.00 67.05 ? 134 ILE A CG1 1 ATOM 1058 C CG2 . ILE A 1 134 ? -22.147 -2.325 53.023 1.00 65.34 ? 134 ILE A CG2 1 ATOM 1059 C CD1 . ILE A 1 134 ? -22.669 0.191 54.715 1.00 70.81 ? 134 ILE A CD1 1 ATOM 1060 N N . GLN A 1 135 ? -19.774 -2.956 50.696 1.00 47.95 ? 135 GLN A N 1 ATOM 1061 C CA . GLN A 1 135 ? -19.799 -4.140 49.812 1.00 44.00 ? 135 GLN A CA 1 ATOM 1062 C C . GLN A 1 135 ? -20.800 -5.143 50.318 1.00 43.52 ? 135 GLN A C 1 ATOM 1063 O O . GLN A 1 135 ? -20.776 -5.488 51.490 1.00 40.41 ? 135 GLN A O 1 ATOM 1064 C CB . GLN A 1 135 ? -18.419 -4.803 49.753 1.00 43.29 ? 135 GLN A CB 1 ATOM 1065 C CG . GLN A 1 135 ? -18.273 -5.867 48.703 1.00 39.78 ? 135 GLN A CG 1 ATOM 1066 C CD . GLN A 1 135 ? -16.836 -6.316 48.564 1.00 42.60 ? 135 GLN A CD 1 ATOM 1067 O OE1 . GLN A 1 135 ? -16.040 -5.706 47.839 1.00 46.07 ? 135 GLN A OE1 1 ATOM 1068 N NE2 . GLN A 1 135 ? -16.486 -7.380 49.256 1.00 41.48 ? 135 GLN A NE2 1 ATOM 1069 N N . GLY A 1 136 ? -21.703 -5.571 49.445 1.00 44.71 ? 136 GLY A N 1 ATOM 1070 C CA . GLY A 1 136 ? -22.597 -6.676 49.722 1.00 40.37 ? 136 GLY A CA 1 ATOM 1071 C C . GLY A 1 136 ? -23.663 -6.834 48.660 1.00 40.89 ? 136 GLY A C 1 ATOM 1072 O O . GLY A 1 136 ? -24.056 -5.867 48.045 1.00 43.40 ? 136 GLY A O 1 ATOM 1073 N N . ASP A 1 137 ? -24.148 -8.059 48.489 1.00 40.61 ? 137 ASP A N 1 ATOM 1074 C CA . ASP A 1 137 ? -25.131 -8.398 47.485 1.00 44.52 ? 137 ASP A CA 1 ATOM 1075 C C . ASP A 1 137 ? -24.611 -7.955 46.092 1.00 44.88 ? 137 ASP A C 1 ATOM 1076 O O . ASP A 1 137 ? -23.514 -8.320 45.704 1.00 44.24 ? 137 ASP A O 1 ATOM 1077 C CB . ASP A 1 137 ? -26.514 -7.800 47.864 1.00 53.04 ? 137 ASP A CB 1 ATOM 1078 C CG . ASP A 1 137 ? -26.991 -8.233 49.261 1.00 65.86 ? 137 ASP A CG 1 ATOM 1079 O OD1 . ASP A 1 137 ? -26.752 -9.405 49.651 1.00 70.24 ? 137 ASP A OD1 1 ATOM 1080 O OD2 . ASP A 1 137 ? -27.607 -7.396 49.976 1.00 73.59 ? 137 ASP A OD2 1 ATOM 1081 N N . ASN A 1 138 ? -25.370 -7.175 45.331 1.00 45.78 ? 138 ASN A N 1 ATOM 1082 C CA . ASN A 1 138 ? -24.878 -6.701 44.042 1.00 44.54 ? 138 ASN A CA 1 ATOM 1083 C C . ASN A 1 138 ? -24.139 -5.354 44.185 1.00 40.91 ? 138 ASN A C 1 ATOM 1084 O O . ASN A 1 138 ? -23.783 -4.753 43.199 1.00 38.31 ? 138 ASN A O 1 ATOM 1085 C CB . ASN A 1 138 ? -26.012 -6.686 43.021 1.00 48.56 ? 138 ASN A CB 1 ATOM 1086 C CG . ASN A 1 138 ? -26.652 -8.094 42.815 1.00 56.15 ? 138 ASN A CG 1 ATOM 1087 O OD1 . ASN A 1 138 ? -25.965 -9.176 42.737 1.00 50.25 ? 138 ASN A OD1 1 ATOM 1088 N ND2 . ASN A 1 138 ? -27.983 -8.094 42.760 1.00 53.80 ? 138 ASN A ND2 1 ATOM 1089 N N . CYS A 1 139 ? -23.885 -4.894 45.409 1.00 39.27 ? 139 CYS A N 1 ATOM 1090 C CA . CYS A 1 139 ? -23.010 -3.732 45.644 1.00 40.33 ? 139 CYS A CA 1 ATOM 1091 C C . CYS A 1 139 ? -21.492 -4.103 45.730 1.00 35.04 ? 139 CYS A C 1 ATOM 1092 O O . CYS A 1 139 ? -21.034 -4.749 46.693 1.00 32.32 ? 139 CYS A O 1 ATOM 1093 C CB . CYS A 1 139 ? -23.490 -2.945 46.865 1.00 45.46 ? 139 CYS A CB 1 ATOM 1094 S SG . CYS A 1 139 ? -22.533 -1.443 47.153 1.00 66.46 ? 139 CYS A SG 1 ATOM 1095 N N . PHE A 1 140 ? -20.714 -3.682 44.707 1.00 29.09 ? 140 PHE A N 1 ATOM 1096 C CA . PHE A 1 140 ? -19.308 -4.033 44.583 1.00 26.43 ? 140 PHE A CA 1 ATOM 1097 C C . PHE A 1 140 ? -18.504 -2.781 44.285 1.00 28.42 ? 140 PHE A C 1 ATOM 1098 O O . PHE A 1 140 ? -17.895 -2.656 43.174 1.00 27.77 ? 140 PHE A O 1 ATOM 1099 C CB . PHE A 1 140 ? -19.152 -5.132 43.511 1.00 29.15 ? 140 PHE A CB 1 ATOM 1100 C CG . PHE A 1 140 ? -17.730 -5.643 43.292 1.00 26.90 ? 140 PHE A CG 1 ATOM 1101 C CD1 . PHE A 1 140 ? -16.880 -5.912 44.345 1.00 28.71 ? 140 PHE A CD1 1 ATOM 1102 C CD2 . PHE A 1 140 ? -17.293 -5.932 42.017 1.00 27.66 ? 140 PHE A CD2 1 ATOM 1103 C CE1 . PHE A 1 140 ? -15.610 -6.405 44.140 1.00 27.86 ? 140 PHE A CE1 1 ATOM 1104 C CE2 . PHE A 1 140 ? -16.016 -6.474 41.793 1.00 27.40 ? 140 PHE A CE2 1 ATOM 1105 C CZ . PHE A 1 140 ? -15.177 -6.701 42.857 1.00 28.80 ? 140 PHE A CZ 1 ATOM 1106 N N . PRO A 1 141 ? -18.442 -1.870 45.290 1.00 28.52 ? 141 PRO A N 1 ATOM 1107 C CA . PRO A 1 141 ? -17.879 -0.542 45.063 1.00 28.59 ? 141 PRO A CA 1 ATOM 1108 C C . PRO A 1 141 ? -16.387 -0.551 44.633 1.00 26.83 ? 141 PRO A C 1 ATOM 1109 O O . PRO A 1 141 ? -15.610 -1.446 44.993 1.00 23.69 ? 141 PRO A O 1 ATOM 1110 C CB . PRO A 1 141 ? -18.083 0.155 46.414 1.00 31.32 ? 141 PRO A CB 1 ATOM 1111 C CG . PRO A 1 141 ? -18.071 -0.924 47.414 1.00 28.30 ? 141 PRO A CG 1 ATOM 1112 C CD . PRO A 1 141 ? -18.752 -2.076 46.728 1.00 31.45 ? 141 PRO A CD 1 ATOM 1113 N N . ILE A 1 142 ? -16.040 0.453 43.842 1.00 25.41 ? 142 ILE A N 1 ATOM 1114 C CA . ILE A 1 142 ? -14.675 0.720 43.418 1.00 25.60 ? 142 ILE A CA 1 ATOM 1115 C C . ILE A 1 142 ? -14.030 1.627 44.448 1.00 26.21 ? 142 ILE A C 1 ATOM 1116 O O . ILE A 1 142 ? -14.357 2.820 44.537 1.00 27.96 ? 142 ILE A O 1 ATOM 1117 C CB . ILE A 1 142 ? -14.693 1.337 42.013 1.00 25.22 ? 142 ILE A CB 1 ATOM 1118 C CG1 . ILE A 1 142 ? -15.173 0.294 41.047 1.00 23.25 ? 142 ILE A CG1 1 ATOM 1119 C CG2 . ILE A 1 142 ? -13.335 1.870 41.580 1.00 26.57 ? 142 ILE A CG2 1 ATOM 1120 C CD1 . ILE A 1 142 ? -15.657 0.892 39.731 1.00 25.05 ? 142 ILE A CD1 1 ATOM 1121 N N . MET A 1 143 ? -13.158 1.045 45.268 1.00 26.40 ? 143 MET A N 1 ATOM 1122 C CA . MET A 1 143 ? -12.511 1.780 46.337 1.00 27.42 ? 143 MET A CA 1 ATOM 1123 C C . MET A 1 143 ? -11.345 2.651 45.828 1.00 26.41 ? 143 MET A C 1 ATOM 1124 O O . MET A 1 143 ? -10.619 2.220 44.961 1.00 26.00 ? 143 MET A O 1 ATOM 1125 C CB . MET A 1 143 ? -12.020 0.807 47.420 1.00 28.56 ? 143 MET A CB 1 ATOM 1126 C CG . MET A 1 143 ? -13.100 -0.014 48.101 1.00 32.95 ? 143 MET A CG 1 ATOM 1127 S SD . MET A 1 143 ? -14.628 0.791 48.721 1.00 40.31 ? 143 MET A SD 1 ATOM 1128 C CE . MET A 1 143 ? -14.007 1.817 50.042 1.00 40.77 ? 143 MET A CE 1 ATOM 1129 N N . PHE A 1 144 ? -11.166 3.864 46.377 1.00 28.22 ? 144 PHE A N 1 ATOM 1130 C CA . PHE A 1 144 ? -10.020 4.695 46.031 1.00 28.43 ? 144 PHE A CA 1 ATOM 1131 C C . PHE A 1 144 ? -8.785 4.293 46.794 1.00 27.22 ? 144 PHE A C 1 ATOM 1132 O O . PHE A 1 144 ? -8.878 4.063 47.982 1.00 25.99 ? 144 PHE A O 1 ATOM 1133 C CB . PHE A 1 144 ? -10.276 6.188 46.276 1.00 29.17 ? 144 PHE A CB 1 ATOM 1134 C CG . PHE A 1 144 ? -11.455 6.756 45.508 1.00 35.24 ? 144 PHE A CG 1 ATOM 1135 C CD1 . PHE A 1 144 ? -11.617 6.523 44.151 1.00 38.35 ? 144 PHE A CD1 1 ATOM 1136 C CD2 . PHE A 1 144 ? -12.406 7.563 46.156 1.00 34.95 ? 144 PHE A CD2 1 ATOM 1137 C CE1 . PHE A 1 144 ? -12.713 7.058 43.465 1.00 38.41 ? 144 PHE A CE1 1 ATOM 1138 C CE2 . PHE A 1 144 ? -13.505 8.098 45.480 1.00 35.96 ? 144 PHE A CE2 1 ATOM 1139 C CZ . PHE A 1 144 ? -13.661 7.838 44.127 1.00 35.58 ? 144 PHE A CZ 1 ATOM 1140 N N . PRO A 1 145 ? -7.619 4.223 46.119 1.00 26.36 ? 145 PRO A N 1 ATOM 1141 C CA . PRO A 1 145 ? -6.386 4.026 46.811 1.00 30.15 ? 145 PRO A CA 1 ATOM 1142 C C . PRO A 1 145 ? -5.946 5.298 47.545 1.00 35.63 ? 145 PRO A C 1 ATOM 1143 O O . PRO A 1 145 ? -6.469 6.404 47.284 1.00 35.94 ? 145 PRO A O 1 ATOM 1144 C CB . PRO A 1 145 ? -5.394 3.727 45.692 1.00 29.11 ? 145 PRO A CB 1 ATOM 1145 C CG . PRO A 1 145 ? -5.941 4.434 44.470 1.00 27.05 ? 145 PRO A CG 1 ATOM 1146 C CD . PRO A 1 145 ? -7.417 4.457 44.672 1.00 26.78 ? 145 PRO A CD 1 ATOM 1147 N N . LYS A 1 146 ? -4.979 5.163 48.438 1.00 38.59 ? 146 LYS A N 1 ATOM 1148 C CA . LYS A 1 146 ? -4.437 6.353 49.092 1.00 46.51 ? 146 LYS A CA 1 ATOM 1149 C C . LYS A 1 146 ? -3.687 7.174 48.021 1.00 49.54 ? 146 LYS A C 1 ATOM 1150 O O . LYS A 1 146 ? -3.290 6.662 46.958 1.00 62.93 ? 146 LYS A O 1 ATOM 1151 C CB . LYS A 1 146 ? -3.578 5.993 50.323 1.00 50.47 ? 146 LYS A CB 1 ATOM 1152 C CG . LYS A 1 146 ? -2.131 5.660 50.051 1.00 55.12 ? 146 LYS A CG 1 ATOM 1153 C CD . LYS A 1 146 ? -1.380 5.454 51.355 1.00 60.74 ? 146 LYS A CD 1 ATOM 1154 C CE . LYS A 1 146 ? 0.083 5.107 51.112 1.00 67.21 ? 146 LYS A CE 1 ATOM 1155 N NZ . LYS A 1 146 ? 0.903 5.125 52.367 1.00 71.18 ? 146 LYS A NZ 1 ATOM 1156 N N . ASN A 1 147 ? -3.535 8.456 48.270 1.00 50.93 ? 147 ASN A N 1 ATOM 1157 C CA . ASN A 1 147 ? -3.009 9.377 47.227 1.00 52.79 ? 147 ASN A CA 1 ATOM 1158 C C . ASN A 1 147 ? -3.922 9.597 46.027 1.00 41.17 ? 147 ASN A C 1 ATOM 1159 O O . ASN A 1 147 ? -3.474 10.160 45.068 1.00 45.20 ? 147 ASN A O 1 ATOM 1160 C CB . ASN A 1 147 ? -1.609 8.979 46.710 1.00 54.42 ? 147 ASN A CB 1 ATOM 1161 C CG . ASN A 1 147 ? -0.649 8.642 47.834 1.00 64.02 ? 147 ASN A CG 1 ATOM 1162 O OD1 . ASN A 1 147 ? -0.697 9.240 48.926 1.00 67.31 ? 147 ASN A OD1 1 ATOM 1163 N ND2 . ASN A 1 147 ? 0.233 7.674 47.581 1.00 74.69 ? 147 ASN A ND2 1 ATOM 1164 N N . ASP A 1 148 ? -5.184 9.199 46.086 1.00 34.44 ? 148 ASP A N 1 ATOM 1165 C CA . ASP A 1 148 ? -6.086 9.448 44.970 1.00 34.56 ? 148 ASP A CA 1 ATOM 1166 C C . ASP A 1 148 ? -6.668 10.853 45.168 1.00 32.47 ? 148 ASP A C 1 ATOM 1167 O O . ASP A 1 148 ? -7.297 11.120 46.177 1.00 30.03 ? 148 ASP A O 1 ATOM 1168 C CB . ASP A 1 148 ? -7.196 8.374 44.865 1.00 33.86 ? 148 ASP A CB 1 ATOM 1169 C CG . ASP A 1 148 ? -7.874 8.370 43.501 1.00 34.08 ? 148 ASP A CG 1 ATOM 1170 O OD1 . ASP A 1 148 ? -8.313 9.447 43.077 1.00 27.52 ? 148 ASP A OD1 1 ATOM 1171 O OD2 . ASP A 1 148 ? -7.948 7.281 42.835 1.00 34.18 ? 148 ASP A OD2 1 ATOM 1172 N N . PRO A 1 149 ? -6.480 11.747 44.188 1.00 32.38 ? 149 PRO A N 1 ATOM 1173 C CA . PRO A 1 149 ? -7.067 13.071 44.349 1.00 29.49 ? 149 PRO A CA 1 ATOM 1174 C C . PRO A 1 149 ? -8.551 13.068 44.623 1.00 32.01 ? 149 PRO A C 1 ATOM 1175 O O . PRO A 1 149 ? -9.032 14.021 45.262 1.00 28.74 ? 149 PRO A O 1 ATOM 1176 C CB . PRO A 1 149 ? -6.782 13.747 43.006 1.00 31.60 ? 149 PRO A CB 1 ATOM 1177 C CG . PRO A 1 149 ? -5.649 13.005 42.390 1.00 33.08 ? 149 PRO A CG 1 ATOM 1178 C CD . PRO A 1 149 ? -5.645 11.628 42.961 1.00 31.96 ? 149 PRO A CD 1 ATOM 1179 N N . LYS A 1 150 ? -9.311 12.052 44.132 1.00 29.80 ? 150 LYS A N 1 ATOM 1180 C CA . LYS A 1 150 ? -10.765 12.015 44.416 1.00 29.56 ? 150 LYS A CA 1 ATOM 1181 C C . LYS A 1 150 ? -11.175 11.838 45.895 1.00 30.40 ? 150 LYS A C 1 ATOM 1182 O O . LYS A 1 150 ? -12.325 12.091 46.259 1.00 32.43 ? 150 LYS A O 1 ATOM 1183 C CB . LYS A 1 150 ? -11.480 10.959 43.557 1.00 32.84 ? 150 LYS A CB 1 ATOM 1184 C CG . LYS A 1 150 ? -11.628 11.397 42.117 1.00 31.70 ? 150 LYS A CG 1 ATOM 1185 C CD . LYS A 1 150 ? -12.409 10.396 41.265 1.00 32.98 ? 150 LYS A CD 1 ATOM 1186 C CE . LYS A 1 150 ? -12.336 10.736 39.775 1.00 30.04 ? 150 LYS A CE 1 ATOM 1187 N NZ . LYS A 1 150 ? -13.160 11.931 39.463 1.00 28.92 ? 150 LYS A NZ 1 ATOM 1188 N N . LEU A 1 151 ? -10.253 11.370 46.729 1.00 31.15 ? 151 LEU A N 1 ATOM 1189 C CA . LEU A 1 151 ? -10.437 11.375 48.181 1.00 35.77 ? 151 LEU A CA 1 ATOM 1190 C C . LEU A 1 151 ? -10.698 12.795 48.735 1.00 36.21 ? 151 LEU A C 1 ATOM 1191 O O . LEU A 1 151 ? -11.372 12.944 49.731 1.00 36.73 ? 151 LEU A O 1 ATOM 1192 C CB . LEU A 1 151 ? -9.192 10.830 48.875 1.00 35.02 ? 151 LEU A CB 1 ATOM 1193 C CG . LEU A 1 151 ? -9.075 9.400 49.418 1.00 41.21 ? 151 LEU A CG 1 ATOM 1194 C CD1 . LEU A 1 151 ? -10.313 8.527 49.280 1.00 40.60 ? 151 LEU A CD1 1 ATOM 1195 C CD2 . LEU A 1 151 ? -7.811 8.726 48.905 1.00 38.16 ? 151 LEU A CD2 1 ATOM 1196 N N . LYS A 1 152 ? -10.129 13.813 48.113 1.00 36.09 ? 152 LYS A N 1 ATOM 1197 C CA . LYS A 1 152 ? -10.336 15.187 48.588 1.00 42.31 ? 152 LYS A CA 1 ATOM 1198 C C . LYS A 1 152 ? -11.706 15.794 48.247 1.00 44.32 ? 152 LYS A C 1 ATOM 1199 O O . LYS A 1 152 ? -12.103 16.786 48.889 1.00 42.12 ? 152 LYS A O 1 ATOM 1200 C CB . LYS A 1 152 ? -9.190 16.077 48.093 1.00 47.22 ? 152 LYS A CB 1 ATOM 1201 C CG . LYS A 1 152 ? -7.970 15.999 49.028 1.00 49.58 ? 152 LYS A CG 1 ATOM 1202 C CD . LYS A 1 152 ? -6.620 16.033 48.311 1.00 51.30 ? 152 LYS A CD 1 ATOM 1203 C CE . LYS A 1 152 ? -5.456 15.618 49.210 1.00 55.14 ? 152 LYS A CE 1 ATOM 1204 N NZ . LYS A 1 152 ? -4.814 16.674 50.057 1.00 63.27 ? 152 LYS A NZ 1 ATOM 1205 N N . THR A 1 153 ? -12.424 15.222 47.256 1.00 36.89 ? 153 THR A N 1 ATOM 1206 C CA . THR A 1 153 ? -13.660 15.833 46.745 1.00 38.92 ? 153 THR A CA 1 ATOM 1207 C C . THR A 1 153 ? -14.863 14.922 46.654 1.00 41.15 ? 153 THR A C 1 ATOM 1208 O O . THR A 1 153 ? -15.991 15.401 46.534 1.00 41.50 ? 153 THR A O 1 ATOM 1209 C CB . THR A 1 153 ? -13.449 16.442 45.333 1.00 41.70 ? 153 THR A CB 1 ATOM 1210 O OG1 . THR A 1 153 ? -12.904 15.462 44.434 1.00 37.97 ? 153 THR A OG1 1 ATOM 1211 C CG2 . THR A 1 153 ? -12.488 17.634 45.400 1.00 43.62 ? 153 THR A CG2 1 ATOM 1212 N N . GLN A 1 154 ? -14.644 13.617 46.695 1.00 39.48 ? 154 GLN A N 1 ATOM 1213 C CA . GLN A 1 154 ? -15.652 12.694 46.233 1.00 44.01 ? 154 GLN A CA 1 ATOM 1214 C C . GLN A 1 154 ? -15.912 11.547 47.175 1.00 42.44 ? 154 GLN A C 1 ATOM 1215 O O . GLN A 1 154 ? -16.707 10.696 46.831 1.00 50.32 ? 154 GLN A O 1 ATOM 1216 C CB . GLN A 1 154 ? -15.217 12.144 44.864 1.00 44.19 ? 154 GLN A CB 1 ATOM 1217 C CG . GLN A 1 154 ? -16.071 12.551 43.694 1.00 46.97 ? 154 GLN A CG 1 ATOM 1218 C CD . GLN A 1 154 ? -15.570 11.908 42.393 1.00 49.11 ? 154 GLN A CD 1 ATOM 1219 O OE1 . GLN A 1 154 ? -14.884 12.548 41.597 1.00 42.56 ? 154 GLN A OE1 1 ATOM 1220 N NE2 . GLN A 1 154 ? -15.857 10.612 42.214 1.00 49.84 ? 154 GLN A NE2 1 ATOM 1221 N N . GLY A 1 155 ? -15.271 11.498 48.335 1.00 39.62 ? 155 GLY A N 1 ATOM 1222 C CA . GLY A 1 155 ? -15.431 10.361 49.256 1.00 40.25 ? 155 GLY A CA 1 ATOM 1223 C C . GLY A 1 155 ? -14.474 9.211 49.038 1.00 42.06 ? 155 GLY A C 1 ATOM 1224 O O . GLY A 1 155 ? -13.384 9.414 48.525 1.00 42.36 ? 155 GLY A O 1 ATOM 1225 N N . LYS A 1 156 ? -14.879 8.001 49.454 1.00 42.07 ? 156 LYS A N 1 ATOM 1226 C CA . LYS A 1 156 ? -13.975 6.836 49.534 1.00 42.68 ? 156 LYS A CA 1 ATOM 1227 C C . LYS A 1 156 ? -14.051 5.822 48.352 1.00 36.41 ? 156 LYS A C 1 ATOM 1228 O O . LYS A 1 156 ? -13.160 4.974 48.181 1.00 35.77 ? 156 LYS A O 1 ATOM 1229 C CB . LYS A 1 156 ? -14.240 6.062 50.840 1.00 46.65 ? 156 LYS A CB 1 ATOM 1230 C CG . LYS A 1 156 ? -13.746 6.717 52.115 1.00 53.05 ? 156 LYS A CG 1 ATOM 1231 C CD . LYS A 1 156 ? -13.853 5.723 53.285 1.00 60.92 ? 156 LYS A CD 1 ATOM 1232 C CE . LYS A 1 156 ? -13.318 6.298 54.595 1.00 69.52 ? 156 LYS A CE 1 ATOM 1233 N NZ . LYS A 1 156 ? -12.968 5.264 55.620 1.00 73.41 ? 156 LYS A NZ 1 ATOM 1234 N N . CYS A 1 157 ? -15.140 5.864 47.614 1.00 35.49 ? 157 CYS A N 1 ATOM 1235 C CA . CYS A 1 157 ? -15.375 4.961 46.504 1.00 34.77 ? 157 CYS A CA 1 ATOM 1236 C C . CYS A 1 157 ? -16.282 5.560 45.434 1.00 35.00 ? 157 CYS A C 1 ATOM 1237 O O . CYS A 1 157 ? -16.882 6.633 45.594 1.00 29.88 ? 157 CYS A O 1 ATOM 1238 C CB . CYS A 1 157 ? -16.049 3.722 47.020 1.00 35.01 ? 157 CYS A CB 1 ATOM 1239 S SG . CYS A 1 157 ? -17.798 4.007 47.352 1.00 38.70 ? 157 CYS A SG 1 ATOM 1240 N N . MET A 1 158 ? -16.370 4.824 44.337 1.00 30.61 ? 158 MET A N 1 ATOM 1241 C CA . MET A 1 158 ? -17.308 5.099 43.281 1.00 32.07 ? 158 MET A CA 1 ATOM 1242 C C . MET A 1 158 ? -18.264 3.923 43.373 1.00 31.84 ? 158 MET A C 1 ATOM 1243 O O . MET A 1 158 ? -17.834 2.769 43.358 1.00 31.18 ? 158 MET A O 1 ATOM 1244 C CB . MET A 1 158 ? -16.640 5.077 41.907 1.00 31.93 ? 158 MET A CB 1 ATOM 1245 C CG . MET A 1 158 ? -15.715 6.214 41.537 1.00 37.40 ? 158 MET A CG 1 ATOM 1246 S SD . MET A 1 158 ? -14.690 6.000 40.021 1.00 34.44 ? 158 MET A SD 1 ATOM 1247 C CE . MET A 1 158 ? -15.711 4.852 39.157 1.00 35.09 ? 158 MET A CE 1 ATOM 1248 N N . PRO A 1 159 ? -19.566 4.190 43.509 1.00 36.45 ? 159 PRO A N 1 ATOM 1249 C CA . PRO A 1 159 ? -20.428 3.001 43.574 1.00 34.24 ? 159 PRO A CA 1 ATOM 1250 C C . PRO A 1 159 ? -20.413 2.171 42.272 1.00 29.91 ? 159 PRO A C 1 ATOM 1251 O O . PRO A 1 159 ? -20.193 2.706 41.206 1.00 30.89 ? 159 PRO A O 1 ATOM 1252 C CB . PRO A 1 159 ? -21.815 3.607 43.822 1.00 35.66 ? 159 PRO A CB 1 ATOM 1253 C CG . PRO A 1 159 ? -21.729 5.020 43.342 1.00 36.47 ? 159 PRO A CG 1 ATOM 1254 C CD . PRO A 1 159 ? -20.331 5.432 43.763 1.00 36.53 ? 159 PRO A CD 1 ATOM 1255 N N . PHE A 1 160 ? -20.657 0.883 42.397 1.00 28.60 ? 160 PHE A N 1 ATOM 1256 C CA . PHE A 1 160 ? -20.689 -0.042 41.280 1.00 28.51 ? 160 PHE A CA 1 ATOM 1257 C C . PHE A 1 160 ? -21.613 -1.185 41.679 1.00 27.93 ? 160 PHE A C 1 ATOM 1258 O O . PHE A 1 160 ? -21.461 -1.748 42.766 1.00 27.25 ? 160 PHE A O 1 ATOM 1259 C CB . PHE A 1 160 ? -19.257 -0.517 41.023 1.00 27.89 ? 160 PHE A CB 1 ATOM 1260 C CG . PHE A 1 160 ? -19.109 -1.548 39.940 1.00 25.35 ? 160 PHE A CG 1 ATOM 1261 C CD1 . PHE A 1 160 ? -19.352 -2.897 40.187 1.00 28.19 ? 160 PHE A CD1 1 ATOM 1262 C CD2 . PHE A 1 160 ? -18.636 -1.181 38.688 1.00 27.47 ? 160 PHE A CD2 1 ATOM 1263 C CE1 . PHE A 1 160 ? -19.211 -3.847 39.181 1.00 25.84 ? 160 PHE A CE1 1 ATOM 1264 C CE2 . PHE A 1 160 ? -18.474 -2.094 37.694 1.00 24.31 ? 160 PHE A CE2 1 ATOM 1265 C CZ . PHE A 1 160 ? -18.739 -3.437 37.942 1.00 27.43 ? 160 PHE A CZ 1 ATOM 1266 N N . PHE A 1 161 ? -22.549 -1.501 40.790 1.00 29.74 ? 161 PHE A N 1 ATOM 1267 C CA . PHE A 1 161 ? -23.499 -2.564 40.929 1.00 30.69 ? 161 PHE A CA 1 ATOM 1268 C C . PHE A 1 161 ? -23.212 -3.623 39.905 1.00 33.06 ? 161 PHE A C 1 ATOM 1269 O O . PHE A 1 161 ? -22.898 -3.327 38.733 1.00 28.81 ? 161 PHE A O 1 ATOM 1270 C CB . PHE A 1 161 ? -24.906 -2.048 40.717 1.00 36.11 ? 161 PHE A CB 1 ATOM 1271 C CG . PHE A 1 161 ? -25.301 -1.061 41.749 1.00 49.55 ? 161 PHE A CG 1 ATOM 1272 C CD1 . PHE A 1 161 ? -25.843 -1.491 42.969 1.00 54.63 ? 161 PHE A CD1 1 ATOM 1273 C CD2 . PHE A 1 161 ? -25.063 0.289 41.552 1.00 54.36 ? 161 PHE A CD2 1 ATOM 1274 C CE1 . PHE A 1 161 ? -26.193 -0.586 43.949 1.00 57.85 ? 161 PHE A CE1 1 ATOM 1275 C CE2 . PHE A 1 161 ? -25.405 1.201 42.538 1.00 61.48 ? 161 PHE A CE2 1 ATOM 1276 C CZ . PHE A 1 161 ? -25.981 0.766 43.730 1.00 63.92 ? 161 PHE A CZ 1 ATOM 1277 N N . ARG A 1 162 ? -23.362 -4.862 40.347 1.00 27.39 ? 162 ARG A N 1 ATOM 1278 C CA . ARG A 1 162 ? -23.001 -6.005 39.551 1.00 26.11 ? 162 ARG A CA 1 ATOM 1279 C C . ARG A 1 162 ? -23.951 -6.197 38.372 1.00 27.83 ? 162 ARG A C 1 ATOM 1280 O O . ARG A 1 162 ? -25.093 -5.756 38.401 1.00 30.10 ? 162 ARG A O 1 ATOM 1281 C CB . ARG A 1 162 ? -22.965 -7.233 40.449 1.00 24.28 ? 162 ARG A CB 1 ATOM 1282 C CG . ARG A 1 162 ? -21.843 -7.196 41.440 1.00 23.47 ? 162 ARG A CG 1 ATOM 1283 C CD . ARG A 1 162 ? -21.651 -8.561 42.014 1.00 24.33 ? 162 ARG A CD 1 ATOM 1284 N NE . ARG A 1 162 ? -21.070 -9.459 41.054 1.00 25.29 ? 162 ARG A NE 1 ATOM 1285 C CZ . ARG A 1 162 ? -20.908 -10.770 41.234 1.00 25.99 ? 162 ARG A CZ 1 ATOM 1286 N NH1 . ARG A 1 162 ? -21.275 -11.351 42.368 1.00 24.42 ? 162 ARG A NH1 1 ATOM 1287 N NH2 . ARG A 1 162 ? -20.358 -11.501 40.261 1.00 23.21 ? 162 ARG A NH2 1 ATOM 1288 N N . ALA A 1 163 ? -23.448 -6.807 37.300 1.00 28.07 ? 163 ALA A N 1 ATOM 1289 C CA . ALA A 1 163 ? -24.265 -7.073 36.132 1.00 29.39 ? 163 ALA A CA 1 ATOM 1290 C C . ALA A 1 163 ? -25.355 -8.081 36.455 1.00 28.88 ? 163 ALA A C 1 ATOM 1291 O O . ALA A 1 163 ? -25.148 -9.028 37.196 1.00 30.62 ? 163 ALA A O 1 ATOM 1292 C CB . ALA A 1 163 ? -23.412 -7.567 34.965 1.00 29.11 ? 163 ALA A CB 1 ATOM 1293 N N . GLY A 1 164 ? -26.528 -7.877 35.884 1.00 31.46 ? 164 GLY A N 1 ATOM 1294 C CA . GLY A 1 164 ? -27.565 -8.897 35.913 1.00 35.14 ? 164 GLY A CA 1 ATOM 1295 C C . GLY A 1 164 ? -27.149 -10.217 35.282 1.00 36.44 ? 164 GLY A C 1 ATOM 1296 O O . GLY A 1 164 ? -26.264 -10.266 34.402 1.00 37.00 ? 164 GLY A O 1 ATOM 1297 N N . PHE A 1 165 ? -27.852 -11.268 35.696 1.00 40.94 ? 165 PHE A N 1 ATOM 1298 C CA . PHE A 1 165 ? -27.498 -12.660 35.406 1.00 41.49 ? 165 PHE A CA 1 ATOM 1299 C C . PHE A 1 165 ? -28.760 -13.533 35.345 1.00 42.53 ? 165 PHE A C 1 ATOM 1300 O O . PHE A 1 165 ? -29.724 -13.206 35.981 1.00 43.77 ? 165 PHE A O 1 ATOM 1301 C CB . PHE A 1 165 ? -26.532 -13.187 36.462 1.00 42.38 ? 165 PHE A CB 1 ATOM 1302 C CG . PHE A 1 165 ? -27.031 -13.064 37.890 1.00 42.46 ? 165 PHE A CG 1 ATOM 1303 C CD1 . PHE A 1 165 ? -26.896 -11.877 38.586 1.00 38.64 ? 165 PHE A CD1 1 ATOM 1304 C CD2 . PHE A 1 165 ? -27.603 -14.164 38.556 1.00 47.48 ? 165 PHE A CD2 1 ATOM 1305 C CE1 . PHE A 1 165 ? -27.324 -11.773 39.903 1.00 42.74 ? 165 PHE A CE1 1 ATOM 1306 C CE2 . PHE A 1 165 ? -28.055 -14.068 39.882 1.00 48.10 ? 165 PHE A CE2 1 ATOM 1307 C CZ . PHE A 1 165 ? -27.900 -12.865 40.555 1.00 46.52 ? 165 PHE A CZ 1 ATOM 1308 N N . VAL A 1 166 ? -28.710 -14.609 34.561 1.00 42.77 ? 166 VAL A N 1 ATOM 1309 C CA . VAL A 1 166 ? -29.841 -15.529 34.277 1.00 46.52 ? 166 VAL A CA 1 ATOM 1310 C C . VAL A 1 166 ? -30.243 -16.370 35.479 1.00 52.50 ? 166 VAL A C 1 ATOM 1311 O O . VAL A 1 166 ? -29.408 -16.626 36.335 1.00 48.45 ? 166 VAL A O 1 ATOM 1312 C CB . VAL A 1 166 ? -29.511 -16.512 33.128 1.00 44.81 ? 166 VAL A CB 1 ATOM 1313 C CG1 . VAL A 1 166 ? -29.245 -15.788 31.830 1.00 47.21 ? 166 VAL A CG1 1 ATOM 1314 C CG2 . VAL A 1 166 ? -28.328 -17.397 33.458 1.00 49.65 ? 166 VAL A CG2 1 ATOM 1315 N N . CYS A 1 167 ? -31.472 -16.897 35.466 1.00 77.25 ? 167 CYS A N 1 ATOM 1316 C CA . CYS A 1 167 ? -32.200 -17.309 36.697 1.00 98.94 ? 167 CYS A CA 1 ATOM 1317 C C . CYS A 1 167 ? -32.226 -15.963 37.383 1.00 101.62 ? 167 CYS A C 1 ATOM 1318 O O . CYS A 1 167 ? -31.507 -15.767 38.347 1.00 108.73 ? 167 CYS A O 1 ATOM 1319 C CB . CYS A 1 167 ? -31.479 -18.386 37.560 1.00 106.21 ? 167 CYS A CB 1 ATOM 1320 S SG . CYS A 1 167 ? -31.821 -20.125 37.197 1.00 129.49 ? 167 CYS A SG 1 ATOM 1321 N N . PRO A 1 168 ? -32.973 -14.997 36.812 1.00 115.15 ? 168 PRO A N 1 ATOM 1322 C CA . PRO A 1 168 ? -32.436 -13.648 36.920 1.00 113.67 ? 168 PRO A CA 1 ATOM 1323 C C . PRO A 1 168 ? -33.133 -12.772 37.924 1.00 111.87 ? 168 PRO A C 1 ATOM 1324 O O . PRO A 1 168 ? -34.237 -12.353 37.651 1.00 108.43 ? 168 PRO A O 1 ATOM 1325 C CB . PRO A 1 168 ? -32.639 -13.095 35.496 1.00 105.52 ? 168 PRO A CB 1 ATOM 1326 C CG . PRO A 1 168 ? -33.741 -13.902 34.903 1.00 107.77 ? 168 PRO A CG 1 ATOM 1327 C CD . PRO A 1 168 ? -34.083 -15.031 35.846 1.00 112.32 ? 168 PRO A CD 1 ATOM 1328 N N . THR A 1 169 ? -32.472 -12.498 39.052 1.00 133.26 ? 169 THR A N 1 ATOM 1329 C CA . THR A 1 169 ? -32.966 -11.637 40.168 1.00 158.33 ? 169 THR A CA 1 ATOM 1330 C C . THR A 1 169 ? -32.774 -12.284 41.564 1.00 171.48 ? 169 THR A C 1 ATOM 1331 O O . THR A 1 169 ? -32.441 -11.561 42.514 1.00 173.63 ? 169 THR A O 1 ATOM 1332 C CB . THR A 1 169 ? -34.422 -11.093 39.991 1.00 160.57 ? 169 THR A CB 1 ATOM 1333 O OG1 . THR A 1 169 ? -34.435 -10.086 38.971 1.00 168.08 ? 169 THR A OG1 1 ATOM 1334 C CG2 . THR A 1 169 ? -34.962 -10.471 41.259 1.00 153.64 ? 169 THR A CG2 1 ATOM 1335 N N . PRO A 1 170 ? -33.044 -13.613 41.709 1.00 173.17 ? 170 PRO A N 1 ATOM 1336 C CA . PRO A 1 170 ? -32.538 -14.393 42.869 1.00 161.97 ? 170 PRO A CA 1 ATOM 1337 C C . PRO A 1 170 ? -31.027 -14.675 42.797 1.00 153.74 ? 170 PRO A C 1 ATOM 1338 O O . PRO A 1 170 ? -30.535 -15.020 41.723 1.00 157.14 ? 170 PRO A O 1 ATOM 1339 C CB . PRO A 1 170 ? -33.322 -15.707 42.792 1.00 154.36 ? 170 PRO A CB 1 ATOM 1340 C CG . PRO A 1 170 ? -34.585 -15.332 42.113 1.00 157.48 ? 170 PRO A CG 1 ATOM 1341 C CD . PRO A 1 170 ? -34.218 -14.273 41.103 1.00 167.93 ? 170 PRO A CD 1 ATOM 1342 N N . PRO A 1 171 ? -30.303 -14.566 43.935 1.00 144.68 ? 171 PRO A N 1 ATOM 1343 C CA . PRO A 1 171 ? -28.825 -14.464 43.887 1.00 138.96 ? 171 PRO A CA 1 ATOM 1344 C C . PRO A 1 171 ? -28.036 -15.720 43.502 1.00 133.18 ? 171 PRO A C 1 ATOM 1345 O O . PRO A 1 171 ? -26.988 -15.607 42.872 1.00 128.25 ? 171 PRO A O 1 ATOM 1346 C CB . PRO A 1 171 ? -28.440 -14.021 45.312 1.00 140.26 ? 171 PRO A CB 1 ATOM 1347 C CG . PRO A 1 171 ? -29.679 -14.108 46.146 1.00 142.80 ? 171 PRO A CG 1 ATOM 1348 C CD . PRO A 1 171 ? -30.819 -14.623 45.318 1.00 144.91 ? 171 PRO A CD 1 ATOM 1349 N N . TYR A 1 172 ? -28.554 -16.891 43.867 1.00 135.75 ? 172 TYR A N 1 ATOM 1350 C CA . TYR A 1 172 ? -27.772 -18.137 43.963 1.00 135.73 ? 172 TYR A CA 1 ATOM 1351 C C . TYR A 1 172 ? -28.756 -19.313 44.171 1.00 137.00 ? 172 TYR A C 1 ATOM 1352 O O . TYR A 1 172 ? -29.793 -19.117 44.815 1.00 131.84 ? 172 TYR A O 1 ATOM 1353 C CB . TYR A 1 172 ? -26.857 -18.058 45.193 1.00 130.11 ? 172 TYR A CB 1 ATOM 1354 C CG . TYR A 1 172 ? -27.663 -18.188 46.446 1.00 125.49 ? 172 TYR A CG 1 ATOM 1355 C CD1 . TYR A 1 172 ? -28.590 -17.206 46.775 1.00 122.28 ? 172 TYR A CD1 1 ATOM 1356 C CD2 . TYR A 1 172 ? -27.573 -19.303 47.264 1.00 120.66 ? 172 TYR A CD2 1 ATOM 1357 C CE1 . TYR A 1 172 ? -29.390 -17.305 47.889 1.00 116.91 ? 172 TYR A CE1 1 ATOM 1358 C CE2 . TYR A 1 172 ? -28.357 -19.412 48.404 1.00 113.32 ? 172 TYR A CE2 1 ATOM 1359 C CZ . TYR A 1 172 ? -29.265 -18.414 48.708 1.00 113.95 ? 172 TYR A CZ 1 ATOM 1360 O OH . TYR A 1 172 ? -30.045 -18.525 49.830 1.00 107.92 ? 172 TYR A OH 1 ATOM 1361 N N . GLN A 1 173 ? -28.462 -20.532 43.713 1.00 141.47 ? 173 GLN A N 1 ATOM 1362 C CA . GLN A 1 173 ? -27.225 -20.927 43.029 1.00 134.42 ? 173 GLN A CA 1 ATOM 1363 C C . GLN A 1 173 ? -27.367 -22.293 42.325 1.00 120.01 ? 173 GLN A C 1 ATOM 1364 O O . GLN A 1 173 ? -28.223 -23.105 42.690 1.00 115.98 ? 173 GLN A O 1 ATOM 1365 C CB . GLN A 1 173 ? -26.069 -21.005 44.024 1.00 142.22 ? 173 GLN A CB 1 ATOM 1366 C CG . GLN A 1 173 ? -26.379 -21.710 45.341 1.00 144.52 ? 173 GLN A CG 1 ATOM 1367 C CD . GLN A 1 173 ? -26.590 -23.215 45.221 1.00 143.93 ? 173 GLN A CD 1 ATOM 1368 O OE1 . GLN A 1 173 ? -27.388 -23.775 45.961 1.00 146.32 ? 173 GLN A OE1 1 ATOM 1369 N NE2 . GLN A 1 173 ? -25.899 -23.870 44.285 1.00 148.76 ? 173 GLN A NE2 1 ATOM 1370 N N . SER A 1 174 ? -26.492 -22.545 41.351 1.00 106.54 ? 174 SER A N 1 ATOM 1371 C CA . SER A 1 174 ? -26.441 -23.817 40.606 1.00 99.18 ? 174 SER A CA 1 ATOM 1372 C C . SER A 1 174 ? -25.091 -23.917 39.847 1.00 95.11 ? 174 SER A C 1 ATOM 1373 O O . SER A 1 174 ? -24.093 -24.340 40.442 1.00 88.18 ? 174 SER A O 1 ATOM 1374 C CB . SER A 1 174 ? -27.674 -23.969 39.680 1.00 97.16 ? 174 SER A CB 1 ATOM 1375 O OG . SER A 1 174 ? -27.683 -25.203 38.980 1.00 93.66 ? 174 SER A OG 1 ATOM 1376 N N . LEU A 1 175 ? -25.044 -23.501 38.569 1.00 86.74 ? 175 LEU A N 1 ATOM 1377 C CA . LEU A 1 175 ? -23.782 -23.445 37.785 1.00 77.08 ? 175 LEU A CA 1 ATOM 1378 C C . LEU A 1 175 ? -23.241 -22.037 37.911 1.00 57.50 ? 175 LEU A C 1 ATOM 1379 O O . LEU A 1 175 ? -23.854 -21.214 38.562 1.00 53.71 ? 175 LEU A O 1 ATOM 1380 C CB . LEU A 1 175 ? -23.984 -23.796 36.313 1.00 79.75 ? 175 LEU A CB 1 ATOM 1381 C CG . LEU A 1 175 ? -24.357 -25.239 35.961 1.00 94.33 ? 175 LEU A CG 1 ATOM 1382 C CD1 . LEU A 1 175 ? -23.374 -26.259 36.536 1.00 87.91 ? 175 LEU A CD1 1 ATOM 1383 C CD2 . LEU A 1 175 ? -25.796 -25.542 36.380 1.00 104.76 ? 175 LEU A CD2 1 ATOM 1384 N N . ALA A 1 176 ? -22.091 -21.760 37.317 1.00 46.00 ? 176 ALA A N 1 ATOM 1385 C CA . ALA A 1 176 ? -21.490 -20.445 37.463 1.00 43.26 ? 176 ALA A CA 1 ATOM 1386 C C . ALA A 1 176 ? -22.431 -19.332 37.007 1.00 37.14 ? 176 ALA A C 1 ATOM 1387 O O . ALA A 1 176 ? -23.262 -19.517 36.171 1.00 39.26 ? 176 ALA A O 1 ATOM 1388 C CB . ALA A 1 176 ? -20.169 -20.376 36.725 1.00 43.07 ? 176 ALA A CB 1 ATOM 1389 N N . ARG A 1 177 ? -22.278 -18.159 37.586 1.00 39.42 ? 177 ARG A N 1 ATOM 1390 C CA . ARG A 1 177 ? -23.082 -17.000 37.193 1.00 33.18 ? 177 ARG A CA 1 ATOM 1391 C C . ARG A 1 177 ? -22.784 -16.578 35.755 1.00 30.85 ? 177 ARG A C 1 ATOM 1392 O O . ARG A 1 177 ? -21.638 -16.398 35.374 1.00 27.58 ? 177 ARG A O 1 ATOM 1393 C CB . ARG A 1 177 ? -22.804 -15.902 38.194 1.00 33.51 ? 177 ARG A CB 1 ATOM 1394 C CG . ARG A 1 177 ? -23.345 -14.532 37.930 1.00 36.08 ? 177 ARG A CG 1 ATOM 1395 C CD . ARG A 1 177 ? -23.554 -13.946 39.287 1.00 37.96 ? 177 ARG A CD 1 ATOM 1396 N NE . ARG A 1 177 ? -23.621 -12.521 39.337 1.00 43.88 ? 177 ARG A NE 1 ATOM 1397 C CZ . ARG A 1 177 ? -24.073 -11.867 40.385 1.00 41.71 ? 177 ARG A CZ 1 ATOM 1398 N NH1 . ARG A 1 177 ? -24.511 -12.545 41.445 1.00 45.19 ? 177 ARG A NH1 1 ATOM 1399 N NH2 . ARG A 1 177 ? -24.120 -10.550 40.362 1.00 44.06 ? 177 ARG A NH2 1 ATOM 1400 N N . GLU A 1 178 ? -23.851 -16.466 34.979 1.00 29.68 ? 178 GLU A N 1 ATOM 1401 C CA . GLU A 1 178 ? -23.827 -16.108 33.563 1.00 32.62 ? 178 GLU A CA 1 ATOM 1402 C C . GLU A 1 178 ? -24.596 -14.789 33.406 1.00 29.96 ? 178 GLU A C 1 ATOM 1403 O O . GLU A 1 178 ? -25.771 -14.741 33.688 1.00 30.24 ? 178 GLU A O 1 ATOM 1404 C CB . GLU A 1 178 ? -24.506 -17.225 32.733 1.00 31.45 ? 178 GLU A CB 1 ATOM 1405 C CG . GLU A 1 178 ? -23.979 -18.655 32.974 1.00 31.96 ? 178 GLU A CG 1 ATOM 1406 C CD . GLU A 1 178 ? -22.478 -18.816 32.788 1.00 36.40 ? 178 GLU A CD 1 ATOM 1407 O OE1 . GLU A 1 178 ? -21.898 -19.807 33.299 1.00 45.13 ? 178 GLU A OE1 1 ATOM 1408 O OE2 . GLU A 1 178 ? -21.841 -17.945 32.162 1.00 36.39 ? 178 GLU A OE2 1 ATOM 1409 N N . GLN A 1 179 ? -23.919 -13.746 32.931 1.00 29.93 ? 179 GLN A N 1 ATOM 1410 C CA . GLN A 1 179 ? -24.508 -12.426 32.704 1.00 25.17 ? 179 GLN A CA 1 ATOM 1411 C C . GLN A 1 179 ? -25.317 -12.522 31.414 1.00 25.73 ? 179 GLN A C 1 ATOM 1412 O O . GLN A 1 179 ? -25.068 -13.398 30.603 1.00 27.07 ? 179 GLN A O 1 ATOM 1413 C CB . GLN A 1 179 ? -23.438 -11.339 32.601 1.00 22.92 ? 179 GLN A CB 1 ATOM 1414 C CG . GLN A 1 179 ? -22.653 -11.026 33.884 1.00 22.96 ? 179 GLN A CG 1 ATOM 1415 C CD . GLN A 1 179 ? -21.748 -12.157 34.361 1.00 21.64 ? 179 GLN A CD 1 ATOM 1416 O OE1 . GLN A 1 179 ? -21.166 -12.880 33.550 1.00 23.68 ? 179 GLN A OE1 1 ATOM 1417 N NE2 . GLN A 1 179 ? -21.634 -12.334 35.688 1.00 21.55 ? 179 GLN A NE2 1 ATOM 1418 N N . ILE A 1 180 ? -26.286 -11.633 31.282 1.00 25.14 ? 180 ILE A N 1 ATOM 1419 C CA . ILE A 1 180 ? -27.300 -11.592 30.220 1.00 28.76 ? 180 ILE A CA 1 ATOM 1420 C C . ILE A 1 180 ? -26.860 -10.650 29.110 1.00 26.48 ? 180 ILE A C 1 ATOM 1421 O O . ILE A 1 180 ? -26.283 -9.587 29.360 1.00 28.77 ? 180 ILE A O 1 ATOM 1422 C CB . ILE A 1 180 ? -28.612 -10.996 30.749 1.00 32.28 ? 180 ILE A CB 1 ATOM 1423 C CG1 . ILE A 1 180 ? -29.130 -11.808 31.928 1.00 41.39 ? 180 ILE A CG1 1 ATOM 1424 C CG2 . ILE A 1 180 ? -29.703 -10.959 29.687 1.00 34.07 ? 180 ILE A CG2 1 ATOM 1425 C CD1 . ILE A 1 180 ? -30.044 -11.019 32.838 1.00 44.29 ? 180 ILE A CD1 1 ATOM 1426 N N . ASN A 1 181 ? -27.194 -11.025 27.901 1.00 22.87 ? 181 ASN A N 1 ATOM 1427 C CA . ASN A 1 181 ? -27.185 -10.104 26.786 1.00 22.34 ? 181 ASN A CA 1 ATOM 1428 C C . ASN A 1 181 ? -28.578 -9.679 26.431 1.00 21.69 ? 181 ASN A C 1 ATOM 1429 O O . ASN A 1 181 ? -29.383 -10.492 25.952 1.00 18.92 ? 181 ASN A O 1 ATOM 1430 C CB . ASN A 1 181 ? -26.548 -10.771 25.582 1.00 21.10 ? 181 ASN A CB 1 ATOM 1431 C CG . ASN A 1 181 ? -26.219 -9.787 24.487 1.00 20.40 ? 181 ASN A CG 1 ATOM 1432 O OD1 . ASN A 1 181 ? -26.498 -8.576 24.586 1.00 20.63 ? 181 ASN A OD1 1 ATOM 1433 N ND2 . ASN A 1 181 ? -25.629 -10.300 23.418 1.00 22.00 ? 181 ASN A ND2 1 ATOM 1434 N N . ALA A 1 182 ? -28.848 -8.401 26.600 1.00 19.64 ? 182 ALA A N 1 ATOM 1435 C CA . ALA A 1 182 ? -30.169 -7.861 26.408 1.00 22.54 ? 182 ALA A CA 1 ATOM 1436 C C . ALA A 1 182 ? -30.503 -7.476 24.969 1.00 24.30 ? 182 ALA A C 1 ATOM 1437 O O . ALA A 1 182 ? -31.612 -7.066 24.713 1.00 26.61 ? 182 ALA A O 1 ATOM 1438 C CB . ALA A 1 182 ? -30.368 -6.636 27.321 1.00 24.62 ? 182 ALA A CB 1 ATOM 1439 N N . VAL A 1 183 ? -29.553 -7.547 24.048 1.00 24.67 ? 183 VAL A N 1 ATOM 1440 C CA . VAL A 1 183 ? -29.851 -7.325 22.641 1.00 22.84 ? 183 VAL A CA 1 ATOM 1441 C C . VAL A 1 183 ? -29.572 -8.563 21.820 1.00 22.77 ? 183 VAL A C 1 ATOM 1442 O O . VAL A 1 183 ? -29.005 -9.538 22.308 1.00 24.84 ? 183 VAL A O 1 ATOM 1443 C CB . VAL A 1 183 ? -29.074 -6.105 22.141 1.00 24.18 ? 183 VAL A CB 1 ATOM 1444 C CG1 . VAL A 1 183 ? -29.398 -4.934 23.043 1.00 22.78 ? 183 VAL A CG1 1 ATOM 1445 C CG2 . VAL A 1 183 ? -27.553 -6.360 22.050 1.00 24.95 ? 183 VAL A CG2 1 ATOM 1446 N N . THR A 1 184 ? -29.944 -8.514 20.548 1.00 23.12 ? 184 THR A N 1 ATOM 1447 C CA . THR A 1 184 ? -29.757 -9.652 19.665 1.00 23.87 ? 184 THR A CA 1 ATOM 1448 C C . THR A 1 184 ? -28.286 -9.743 19.239 1.00 22.06 ? 184 THR A C 1 ATOM 1449 O O . THR A 1 184 ? -27.619 -8.713 18.909 1.00 21.42 ? 184 THR A O 1 ATOM 1450 C CB . THR A 1 184 ? -30.659 -9.547 18.397 1.00 24.28 ? 184 THR A CB 1 ATOM 1451 O OG1 . THR A 1 184 ? -30.160 -8.535 17.528 1.00 25.40 ? 184 THR A OG1 1 ATOM 1452 C CG2 . THR A 1 184 ? -32.093 -9.233 18.750 1.00 25.30 ? 184 THR A CG2 1 ATOM 1453 N N . SER A 1 185 ? -27.778 -10.960 19.234 1.00 20.10 ? 185 SER A N 1 ATOM 1454 C CA . SER A 1 185 ? -26.376 -11.223 18.909 1.00 20.28 ? 185 SER A CA 1 ATOM 1455 C C . SER A 1 185 ? -26.037 -10.977 17.395 1.00 22.57 ? 185 SER A C 1 ATOM 1456 O O . SER A 1 185 ? -24.875 -10.785 17.049 1.00 21.21 ? 185 SER A O 1 ATOM 1457 C CB . SER A 1 185 ? -26.018 -12.677 19.251 1.00 20.42 ? 185 SER A CB 1 ATOM 1458 O OG . SER A 1 185 ? -25.771 -12.833 20.599 1.00 20.93 ? 185 SER A OG 1 ATOM 1459 N N . PHE A 1 186 ? -27.059 -10.994 16.540 1.00 22.53 ? 186 PHE A N 1 ATOM 1460 C CA . PHE A 1 186 ? -26.897 -10.735 15.108 1.00 24.75 ? 186 PHE A CA 1 ATOM 1461 C C . PHE A 1 186 ? -26.672 -9.252 14.861 1.00 23.87 ? 186 PHE A C 1 ATOM 1462 O O . PHE A 1 186 ? -27.112 -8.415 15.626 1.00 22.35 ? 186 PHE A O 1 ATOM 1463 C CB . PHE A 1 186 ? -28.146 -11.237 14.299 1.00 27.36 ? 186 PHE A CB 1 ATOM 1464 C CG . PHE A 1 186 ? -28.493 -12.677 14.574 1.00 24.90 ? 186 PHE A CG 1 ATOM 1465 C CD1 . PHE A 1 186 ? -27.697 -13.691 14.078 1.00 24.32 ? 186 PHE A CD1 1 ATOM 1466 C CD2 . PHE A 1 186 ? -29.559 -13.007 15.443 1.00 24.37 ? 186 PHE A CD2 1 ATOM 1467 C CE1 . PHE A 1 186 ? -27.970 -15.024 14.363 1.00 24.53 ? 186 PHE A CE1 1 ATOM 1468 C CE2 . PHE A 1 186 ? -29.845 -14.331 15.734 1.00 25.15 ? 186 PHE A CE2 1 ATOM 1469 C CZ . PHE A 1 186 ? -29.051 -15.344 15.213 1.00 25.23 ? 186 PHE A CZ 1 ATOM 1470 N N . LEU A 1 187 ? -25.952 -8.966 13.784 1.00 24.26 ? 187 LEU A N 1 ATOM 1471 C CA . LEU A 1 187 ? -25.664 -7.653 13.376 1.00 22.16 ? 187 LEU A CA 1 ATOM 1472 C C . LEU A 1 187 ? -26.824 -7.248 12.504 1.00 23.36 ? 187 LEU A C 1 ATOM 1473 O O . LEU A 1 187 ? -26.788 -7.394 11.287 1.00 22.87 ? 187 LEU A O 1 ATOM 1474 C CB . LEU A 1 187 ? -24.312 -7.593 12.668 1.00 23.62 ? 187 LEU A CB 1 ATOM 1475 C CG . LEU A 1 187 ? -23.823 -6.196 12.289 1.00 22.41 ? 187 LEU A CG 1 ATOM 1476 C CD1 . LEU A 1 187 ? -23.780 -5.316 13.536 1.00 23.58 ? 187 LEU A CD1 1 ATOM 1477 C CD2 . LEU A 1 187 ? -22.419 -6.319 11.648 1.00 22.44 ? 187 LEU A CD2 1 ATOM 1478 N N . ASP A 1 188 ? -27.866 -6.704 13.148 1.00 23.62 ? 188 ASP A N 1 ATOM 1479 C CA . ASP A 1 188 ? -29.184 -6.590 12.536 1.00 22.65 ? 188 ASP A CA 1 ATOM 1480 C C . ASP A 1 188 ? -29.875 -5.251 12.713 1.00 23.81 ? 188 ASP A C 1 ATOM 1481 O O . ASP A 1 188 ? -31.057 -5.146 12.421 1.00 24.12 ? 188 ASP A O 1 ATOM 1482 C CB . ASP A 1 188 ? -30.044 -7.721 13.062 1.00 23.67 ? 188 ASP A CB 1 ATOM 1483 C CG . ASP A 1 188 ? -30.211 -7.670 14.600 1.00 22.31 ? 188 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 188 ? -29.630 -6.758 15.300 1.00 20.26 ? 188 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 188 ? -30.857 -8.583 15.120 1.00 20.39 ? 188 ASP A OD2 1 ATOM 1486 N N . ALA A 1 189 ? -29.139 -4.207 13.134 1.00 21.12 ? 189 ALA A N 1 ATOM 1487 C CA . ALA A 1 189 ? -29.727 -2.903 13.428 1.00 22.01 ? 189 ALA A CA 1 ATOM 1488 C C . ALA A 1 189 ? -30.772 -2.918 14.617 1.00 22.35 ? 189 ALA A C 1 ATOM 1489 O O . ALA A 1 189 ? -31.661 -2.089 14.694 1.00 21.04 ? 189 ALA A O 1 ATOM 1490 C CB . ALA A 1 189 ? -30.315 -2.278 12.175 1.00 21.92 ? 189 ALA A CB 1 ATOM 1491 N N . SER A 1 190 ? -30.626 -3.859 15.537 1.00 22.93 ? 190 SER A N 1 ATOM 1492 C CA . SER A 1 190 ? -31.466 -3.899 16.693 1.00 23.39 ? 190 SER A CA 1 ATOM 1493 C C . SER A 1 190 ? -31.328 -2.630 17.490 1.00 23.88 ? 190 SER A C 1 ATOM 1494 O O . SER A 1 190 ? -32.235 -2.298 18.271 1.00 22.91 ? 190 SER A O 1 ATOM 1495 C CB . SER A 1 190 ? -31.143 -5.114 17.565 1.00 25.02 ? 190 SER A CB 1 ATOM 1496 O OG . SER A 1 190 ? -29.754 -5.206 17.830 1.00 22.28 ? 190 SER A OG 1 ATOM 1497 N N . LEU A 1 191 ? -30.209 -1.923 17.344 1.00 23.69 ? 191 LEU A N 1 ATOM 1498 C CA . LEU A 1 191 ? -30.074 -0.655 18.060 1.00 24.91 ? 191 LEU A CA 1 ATOM 1499 C C . LEU A 1 191 ? -30.988 0.442 17.526 1.00 24.70 ? 191 LEU A C 1 ATOM 1500 O O . LEU A 1 191 ? -31.259 1.417 18.233 1.00 24.36 ? 191 LEU A O 1 ATOM 1501 C CB . LEU A 1 191 ? -28.609 -0.162 18.063 1.00 27.18 ? 191 LEU A CB 1 ATOM 1502 C CG . LEU A 1 191 ? -28.022 0.570 16.848 1.00 24.36 ? 191 LEU A CG 1 ATOM 1503 C CD1 . LEU A 1 191 ? -26.744 1.180 17.307 1.00 22.91 ? 191 LEU A CD1 1 ATOM 1504 C CD2 . LEU A 1 191 ? -27.758 -0.361 15.692 1.00 22.66 ? 191 LEU A CD2 1 ATOM 1505 N N . VAL A 1 192 ? -31.418 0.296 16.274 1.00 21.59 ? 192 VAL A N 1 ATOM 1506 C CA . VAL A 1 192 ? -32.457 1.147 15.680 1.00 22.51 ? 192 VAL A CA 1 ATOM 1507 C C . VAL A 1 192 ? -33.883 0.614 16.010 1.00 23.17 ? 192 VAL A C 1 ATOM 1508 O O . VAL A 1 192 ? -34.760 1.364 16.496 1.00 22.65 ? 192 VAL A O 1 ATOM 1509 C CB . VAL A 1 192 ? -32.258 1.208 14.169 1.00 22.38 ? 192 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 192 ? -33.305 2.063 13.497 1.00 23.04 ? 192 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 192 ? -30.846 1.739 13.844 1.00 21.57 ? 192 VAL A CG2 1 ATOM 1512 N N . TYR A 1 193 ? -34.096 -0.692 15.800 1.00 21.93 ? 193 TYR A N 1 ATOM 1513 C CA . TYR A 1 193 ? -35.433 -1.205 15.833 1.00 23.38 ? 193 TYR A CA 1 ATOM 1514 C C . TYR A 1 193 ? -35.892 -1.704 17.218 1.00 24.22 ? 193 TYR A C 1 ATOM 1515 O O . TYR A 1 193 ? -37.072 -1.879 17.395 1.00 27.43 ? 193 TYR A O 1 ATOM 1516 C CB . TYR A 1 193 ? -35.647 -2.246 14.712 1.00 20.46 ? 193 TYR A CB 1 ATOM 1517 C CG . TYR A 1 193 ? -35.399 -1.646 13.369 1.00 21.44 ? 193 TYR A CG 1 ATOM 1518 C CD1 . TYR A 1 193 ? -36.309 -0.751 12.811 1.00 19.68 ? 193 TYR A CD1 1 ATOM 1519 C CD2 . TYR A 1 193 ? -34.223 -1.922 12.654 1.00 19.90 ? 193 TYR A CD2 1 ATOM 1520 C CE1 . TYR A 1 193 ? -36.070 -0.159 11.597 1.00 20.10 ? 193 TYR A CE1 1 ATOM 1521 C CE2 . TYR A 1 193 ? -33.995 -1.345 11.409 1.00 18.59 ? 193 TYR A CE2 1 ATOM 1522 C CZ . TYR A 1 193 ? -34.905 -0.470 10.892 1.00 20.01 ? 193 TYR A CZ 1 ATOM 1523 O OH . TYR A 1 193 ? -34.656 0.103 9.696 1.00 21.10 ? 193 TYR A OH 1 ATOM 1524 N N . GLY A 1 194 ? -34.973 -1.930 18.162 1.00 23.74 ? 194 GLY A N 1 ATOM 1525 C CA . GLY A 1 194 ? -35.277 -2.582 19.424 1.00 21.58 ? 194 GLY A CA 1 ATOM 1526 C C . GLY A 1 194 ? -35.094 -4.077 19.324 1.00 23.05 ? 194 GLY A C 1 ATOM 1527 O O . GLY A 1 194 ? -35.037 -4.645 18.253 1.00 27.94 ? 194 GLY A O 1 ATOM 1528 N N . SER A 1 195 ? -34.938 -4.708 20.465 1.00 25.77 ? 195 SER A N 1 ATOM 1529 C CA . SER A 1 195 ? -34.692 -6.152 20.594 1.00 26.11 ? 195 SER A CA 1 ATOM 1530 C C . SER A 1 195 ? -35.839 -6.880 21.289 1.00 29.44 ? 195 SER A C 1 ATOM 1531 O O . SER A 1 195 ? -35.740 -8.093 21.530 1.00 24.86 ? 195 SER A O 1 ATOM 1532 C CB . SER A 1 195 ? -33.409 -6.350 21.425 1.00 26.45 ? 195 SER A CB 1 ATOM 1533 O OG . SER A 1 195 ? -32.237 -6.101 20.614 1.00 26.87 ? 195 SER A OG 1 ATOM 1534 N N . GLU A 1 196 ? -36.915 -6.138 21.601 1.00 31.21 ? 196 GLU A N 1 ATOM 1535 C CA . GLU A 1 196 ? -38.052 -6.646 22.351 1.00 34.65 ? 196 GLU A CA 1 ATOM 1536 C C . GLU A 1 196 ? -39.286 -6.060 21.671 1.00 31.75 ? 196 GLU A C 1 ATOM 1537 O O . GLU A 1 196 ? -39.239 -4.893 21.216 1.00 28.51 ? 196 GLU A O 1 ATOM 1538 C CB . GLU A 1 196 ? -37.967 -6.137 23.769 1.00 42.27 ? 196 GLU A CB 1 ATOM 1539 C CG . GLU A 1 196 ? -38.132 -7.155 24.842 1.00 51.06 ? 196 GLU A CG 1 ATOM 1540 C CD . GLU A 1 196 ? -37.971 -6.521 26.209 1.00 61.15 ? 196 GLU A CD 1 ATOM 1541 O OE1 . GLU A 1 196 ? -38.962 -6.461 26.982 1.00 71.57 ? 196 GLU A OE1 1 ATOM 1542 O OE2 . GLU A 1 196 ? -36.840 -6.070 26.494 1.00 65.30 ? 196 GLU A OE2 1 ATOM 1543 N N . PRO A 1 197 ? -40.385 -6.834 21.586 1.00 29.90 ? 197 PRO A N 1 ATOM 1544 C CA . PRO A 1 197 ? -41.558 -6.349 20.828 1.00 30.51 ? 197 PRO A CA 1 ATOM 1545 C C . PRO A 1 197 ? -42.237 -5.071 21.338 1.00 30.58 ? 197 PRO A C 1 ATOM 1546 O O . PRO A 1 197 ? -42.737 -4.318 20.456 1.00 30.21 ? 197 PRO A O 1 ATOM 1547 C CB . PRO A 1 197 ? -42.515 -7.558 20.808 1.00 31.69 ? 197 PRO A CB 1 ATOM 1548 C CG . PRO A 1 197 ? -41.675 -8.755 21.064 1.00 29.17 ? 197 PRO A CG 1 ATOM 1549 C CD . PRO A 1 197 ? -40.428 -8.292 21.799 1.00 30.97 ? 197 PRO A CD 1 HETATM 1550 N N . SEP A 1 198 ? -42.228 -4.830 22.689 1.00 29.84 ? 198 SEP A N 1 HETATM 1551 C CA . SEP A 1 198 ? -42.688 -3.591 23.455 1.00 34.24 ? 198 SEP A CA 1 HETATM 1552 C CB . SEP A 1 198 ? -42.235 -3.423 24.994 1.00 38.22 ? 198 SEP A CB 1 HETATM 1553 O OG . SEP A 1 198 ? -42.105 -2.065 25.786 1.00 51.97 ? 198 SEP A OG 1 HETATM 1554 C C . SEP A 1 198 ? -42.062 -2.449 22.796 1.00 29.60 ? 198 SEP A C 1 HETATM 1555 O O . SEP A 1 198 ? -42.715 -1.622 22.218 1.00 32.08 ? 198 SEP A O 1 HETATM 1556 P P . SEP A 1 198 ? -42.012 -0.349 25.868 1.00 26.49 ? 198 SEP A P 1 HETATM 1557 O O1P . SEP A 1 198 ? -42.545 0.039 24.557 1.00 54.34 ? 198 SEP A O1P 1 HETATM 1558 O O2P . SEP A 1 198 ? -40.548 -0.037 26.219 1.00 30.35 ? 198 SEP A O2P 1 HETATM 1559 O O3P . SEP A 1 198 ? -43.049 0.272 26.697 1.00 36.98 ? 198 SEP A O3P 1 ATOM 1560 N N . LEU A 1 199 ? -40.747 -2.405 22.876 1.00 30.74 ? 199 LEU A N 1 ATOM 1561 C CA . LEU A 1 199 ? -40.023 -1.261 22.398 1.00 32.66 ? 199 LEU A CA 1 ATOM 1562 C C . LEU A 1 199 ? -40.163 -1.129 20.851 1.00 27.30 ? 199 LEU A C 1 ATOM 1563 O O . LEU A 1 199 ? -40.345 -0.027 20.314 1.00 26.97 ? 199 LEU A O 1 ATOM 1564 C CB . LEU A 1 199 ? -38.554 -1.362 22.818 1.00 33.64 ? 199 LEU A CB 1 ATOM 1565 C CG . LEU A 1 199 ? -37.653 -0.182 22.434 1.00 37.29 ? 199 LEU A CG 1 ATOM 1566 C CD1 . LEU A 1 199 ? -38.203 1.084 23.077 1.00 39.23 ? 199 LEU A CD1 1 ATOM 1567 C CD2 . LEU A 1 199 ? -36.176 -0.424 22.816 1.00 37.92 ? 199 LEU A CD2 1 ATOM 1568 N N . ALA A 1 200 ? -40.061 -2.236 20.145 1.00 26.03 ? 200 ALA A N 1 ATOM 1569 C CA . ALA A 1 200 ? -40.125 -2.194 18.661 1.00 26.27 ? 200 ALA A CA 1 ATOM 1570 C C . ALA A 1 200 ? -41.427 -1.538 18.218 1.00 26.72 ? 200 ALA A C 1 ATOM 1571 O O . ALA A 1 200 ? -41.458 -0.769 17.272 1.00 27.29 ? 200 ALA A O 1 ATOM 1572 C CB . ALA A 1 200 ? -40.003 -3.604 18.075 1.00 23.88 ? 200 ALA A CB 1 ATOM 1573 N N . SER A 1 201 ? -42.511 -1.830 18.938 1.00 28.94 ? 201 SER A N 1 ATOM 1574 C CA . SER A 1 201 ? -43.816 -1.279 18.592 1.00 29.96 ? 201 SER A CA 1 ATOM 1575 C C . SER A 1 201 ? -43.841 0.232 18.872 1.00 29.30 ? 201 SER A C 1 ATOM 1576 O O . SER A 1 201 ? -44.240 1.034 18.018 1.00 31.61 ? 201 SER A O 1 ATOM 1577 C CB . SER A 1 201 ? -44.943 -1.996 19.352 1.00 32.11 ? 201 SER A CB 1 ATOM 1578 O OG . SER A 1 201 ? -46.167 -1.385 18.998 1.00 32.56 ? 201 SER A OG 1 ATOM 1579 N N . ARG A 1 202 ? -43.416 0.596 20.069 1.00 29.82 ? 202 ARG A N 1 ATOM 1580 C CA . ARG A 1 202 ? -43.328 1.984 20.497 1.00 30.88 ? 202 ARG A CA 1 ATOM 1581 C C . ARG A 1 202 ? -42.495 2.854 19.547 1.00 32.31 ? 202 ARG A C 1 ATOM 1582 O O . ARG A 1 202 ? -42.821 3.993 19.272 1.00 34.58 ? 202 ARG A O 1 ATOM 1583 C CB . ARG A 1 202 ? -42.719 2.012 21.889 1.00 32.91 ? 202 ARG A CB 1 ATOM 1584 C CG . ARG A 1 202 ? -42.776 3.378 22.538 1.00 37.21 ? 202 ARG A CG 1 ATOM 1585 C CD . ARG A 1 202 ? -42.498 3.298 24.027 1.00 40.04 ? 202 ARG A CD 1 ATOM 1586 N NE . ARG A 1 202 ? -42.193 4.598 24.640 1.00 43.58 ? 202 ARG A NE 1 ATOM 1587 C CZ . ARG A 1 202 ? -41.698 4.752 25.871 1.00 48.27 ? 202 ARG A CZ 1 ATOM 1588 N NH1 . ARG A 1 202 ? -41.465 3.693 26.619 1.00 53.90 ? 202 ARG A NH1 1 ATOM 1589 N NH2 . ARG A 1 202 ? -41.425 5.970 26.365 1.00 50.51 ? 202 ARG A NH2 1 ATOM 1590 N N . LEU A 1 203 ? -41.402 2.314 19.038 1.00 32.19 ? 203 LEU A N 1 ATOM 1591 C CA . LEU A 1 203 ? -40.577 3.038 18.093 1.00 26.98 ? 203 LEU A CA 1 ATOM 1592 C C . LEU A 1 203 ? -41.178 3.324 16.769 1.00 28.55 ? 203 LEU A C 1 ATOM 1593 O O . LEU A 1 203 ? -40.831 4.325 16.126 1.00 27.25 ? 203 LEU A O 1 ATOM 1594 C CB . LEU A 1 203 ? -39.298 2.274 17.890 1.00 30.10 ? 203 LEU A CB 1 ATOM 1595 C CG . LEU A 1 203 ? -38.099 2.490 18.807 1.00 29.30 ? 203 LEU A CG 1 ATOM 1596 C CD1 . LEU A 1 203 ? -38.387 3.236 20.062 1.00 29.48 ? 203 LEU A CD1 1 ATOM 1597 C CD2 . LEU A 1 203 ? -37.352 1.216 19.030 1.00 25.88 ? 203 LEU A CD2 1 ATOM 1598 N N . ARG A 1 204 ? -42.105 2.478 16.348 1.00 29.06 ? 204 ARG A N 1 ATOM 1599 C CA . ARG A 1 204 ? -42.757 2.608 15.046 1.00 29.62 ? 204 ARG A CA 1 ATOM 1600 C C . ARG A 1 204 ? -43.823 3.647 14.940 1.00 30.21 ? 204 ARG A C 1 ATOM 1601 O O . ARG A 1 204 ? -44.553 3.856 15.880 1.00 29.56 ? 204 ARG A O 1 ATOM 1602 C CB . ARG A 1 204 ? -43.364 1.285 14.680 1.00 29.77 ? 204 ARG A CB 1 ATOM 1603 C CG . ARG A 1 204 ? -42.272 0.338 14.323 1.00 33.40 ? 204 ARG A CG 1 ATOM 1604 C CD . ARG A 1 204 ? -42.834 -1.051 14.083 1.00 36.58 ? 204 ARG A CD 1 ATOM 1605 N NE . ARG A 1 204 ? -43.626 -1.109 12.885 1.00 34.29 ? 204 ARG A NE 1 ATOM 1606 C CZ . ARG A 1 204 ? -44.011 -2.248 12.303 1.00 40.86 ? 204 ARG A CZ 1 ATOM 1607 N NH1 . ARG A 1 204 ? -43.650 -3.477 12.801 1.00 41.98 ? 204 ARG A NH1 1 ATOM 1608 N NH2 . ARG A 1 204 ? -44.775 -2.162 11.213 1.00 35.84 ? 204 ARG A NH2 1 ATOM 1609 N N . ASN A 1 205 ? -43.966 4.257 13.772 1.00 32.11 ? 205 ASN A N 1 ATOM 1610 C CA . ASN A 1 205 ? -45.144 5.080 13.518 1.00 33.77 ? 205 ASN A CA 1 ATOM 1611 C C . ASN A 1 205 ? -46.275 4.188 12.978 1.00 38.30 ? 205 ASN A C 1 ATOM 1612 O O . ASN A 1 205 ? -46.354 3.929 11.771 1.00 38.45 ? 205 ASN A O 1 ATOM 1613 C CB . ASN A 1 205 ? -44.823 6.166 12.524 1.00 35.29 ? 205 ASN A CB 1 ATOM 1614 C CG . ASN A 1 205 ? -45.985 7.143 12.348 1.00 39.94 ? 205 ASN A CG 1 ATOM 1615 O OD1 . ASN A 1 205 ? -47.152 6.812 12.653 1.00 39.78 ? 205 ASN A OD1 1 ATOM 1616 N ND2 . ASN A 1 205 ? -45.678 8.338 11.858 1.00 40.05 ? 205 ASN A ND2 1 ATOM 1617 N N . LEU A 1 206 ? -47.147 3.730 13.868 1.00 41.57 ? 206 LEU A N 1 ATOM 1618 C CA . LEU A 1 206 ? -48.229 2.810 13.478 1.00 46.86 ? 206 LEU A CA 1 ATOM 1619 C C . LEU A 1 206 ? -49.381 3.581 12.781 1.00 48.10 ? 206 LEU A C 1 ATOM 1620 O O . LEU A 1 206 ? -50.010 3.072 11.865 1.00 52.63 ? 206 LEU A O 1 ATOM 1621 C CB . LEU A 1 206 ? -48.692 1.990 14.695 1.00 42.58 ? 206 LEU A CB 1 ATOM 1622 C CG . LEU A 1 206 ? -47.564 1.134 15.324 1.00 43.52 ? 206 LEU A CG 1 ATOM 1623 C CD1 . LEU A 1 206 ? -48.012 0.441 16.605 1.00 41.97 ? 206 LEU A CD1 1 ATOM 1624 C CD2 . LEU A 1 206 ? -47.007 0.086 14.369 1.00 41.57 ? 206 LEU A CD2 1 ATOM 1625 N N . SER A 1 207 ? -49.597 4.834 13.151 1.00 48.49 ? 207 SER A N 1 ATOM 1626 C CA . SER A 1 207 ? -50.532 5.691 12.409 1.00 51.74 ? 207 SER A CA 1 ATOM 1627 C C . SER A 1 207 ? -50.298 5.786 10.891 1.00 55.02 ? 207 SER A C 1 ATOM 1628 O O . SER A 1 207 ? -51.249 5.927 10.126 1.00 59.78 ? 207 SER A O 1 ATOM 1629 C CB . SER A 1 207 ? -50.504 7.077 13.004 1.00 54.23 ? 207 SER A CB 1 ATOM 1630 O OG . SER A 1 207 ? -50.870 6.993 14.366 1.00 57.90 ? 207 SER A OG 1 ATOM 1631 N N . SER A 1 208 ? -49.052 5.673 10.434 1.00 53.64 ? 208 SER A N 1 ATOM 1632 C CA . SER A 1 208 ? -48.763 5.871 9.010 1.00 49.70 ? 208 SER A CA 1 ATOM 1633 C C . SER A 1 208 ? -48.758 4.591 8.109 1.00 52.58 ? 208 SER A C 1 ATOM 1634 O O . SER A 1 208 ? -48.212 3.556 8.481 1.00 51.91 ? 208 SER A O 1 ATOM 1635 C CB . SER A 1 208 ? -47.481 6.692 8.839 1.00 52.35 ? 208 SER A CB 1 ATOM 1636 O OG . SER A 1 208 ? -46.339 5.908 8.568 1.00 51.80 ? 208 SER A OG 1 ATOM 1637 N N . PRO A 1 209 ? -49.391 4.666 6.916 1.00 57.21 ? 209 PRO A N 1 ATOM 1638 C CA . PRO A 1 209 ? -49.281 3.598 5.886 1.00 55.83 ? 209 PRO A CA 1 ATOM 1639 C C . PRO A 1 209 ? -47.883 3.419 5.241 1.00 52.20 ? 209 PRO A C 1 ATOM 1640 O O . PRO A 1 209 ? -47.695 2.475 4.461 1.00 44.93 ? 209 PRO A O 1 ATOM 1641 C CB . PRO A 1 209 ? -50.276 4.039 4.796 1.00 55.75 ? 209 PRO A CB 1 ATOM 1642 C CG . PRO A 1 209 ? -51.207 4.983 5.449 1.00 58.47 ? 209 PRO A CG 1 ATOM 1643 C CD . PRO A 1 209 ? -50.502 5.601 6.627 1.00 60.58 ? 209 PRO A CD 1 ATOM 1644 N N . LEU A 1 210 ? -46.932 4.313 5.528 1.00 45.17 ? 210 LEU A N 1 ATOM 1645 C CA . LEU A 1 210 ? -45.620 4.241 4.899 1.00 45.36 ? 210 LEU A CA 1 ATOM 1646 C C . LEU A 1 210 ? -44.590 3.376 5.641 1.00 38.88 ? 210 LEU A C 1 ATOM 1647 O O . LEU A 1 210 ? -43.503 3.190 5.130 1.00 42.94 ? 210 LEU A O 1 ATOM 1648 C CB . LEU A 1 210 ? -45.079 5.651 4.642 1.00 47.74 ? 210 LEU A CB 1 ATOM 1649 C CG . LEU A 1 210 ? -45.989 6.646 3.901 1.00 54.41 ? 210 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 210 ? -45.200 7.927 3.660 1.00 56.71 ? 210 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 210 ? -46.488 6.142 2.559 1.00 55.24 ? 210 LEU A CD2 1 ATOM 1652 N N . GLY A 1 211 ? -44.945 2.819 6.799 1.00 35.28 ? 211 GLY A N 1 ATOM 1653 C CA . GLY A 1 211 ? -44.062 1.941 7.549 1.00 34.13 ? 211 GLY A CA 1 ATOM 1654 C C . GLY A 1 211 ? -42.873 2.672 8.146 1.00 33.90 ? 211 GLY A C 1 ATOM 1655 O O . GLY A 1 211 ? -41.772 2.145 8.156 1.00 34.40 ? 211 GLY A O 1 ATOM 1656 N N . LEU A 1 212 ? -43.110 3.900 8.608 1.00 32.71 ? 212 LEU A N 1 ATOM 1657 C CA . LEU A 1 212 ? -42.117 4.777 9.150 1.00 30.23 ? 212 LEU A CA 1 ATOM 1658 C C . LEU A 1 212 ? -41.873 4.524 10.630 1.00 31.72 ? 212 LEU A C 1 ATOM 1659 O O . LEU A 1 212 ? -42.745 4.026 11.331 1.00 29.64 ? 212 LEU A O 1 ATOM 1660 C CB . LEU A 1 212 ? -42.601 6.220 9.048 1.00 29.41 ? 212 LEU A CB 1 ATOM 1661 C CG . LEU A 1 212 ? -42.960 6.838 7.716 1.00 34.49 ? 212 LEU A CG 1 ATOM 1662 C CD1 . LEU A 1 212 ? -43.441 8.259 7.967 1.00 37.58 ? 212 LEU A CD1 1 ATOM 1663 C CD2 . LEU A 1 212 ? -41.813 6.852 6.696 1.00 36.79 ? 212 LEU A CD2 1 ATOM 1664 N N . MET A 1 213 ? -40.701 4.965 11.108 1.00 31.29 ? 213 MET A N 1 ATOM 1665 C CA . MET A 1 213 ? -40.417 5.020 12.529 1.00 30.23 ? 213 MET A CA 1 ATOM 1666 C C . MET A 1 213 ? -40.911 6.333 13.048 1.00 28.94 ? 213 MET A C 1 ATOM 1667 O O . MET A 1 213 ? -40.934 7.309 12.321 1.00 26.62 ? 213 MET A O 1 ATOM 1668 C CB . MET A 1 213 ? -38.909 4.885 12.815 1.00 30.68 ? 213 MET A CB 1 ATOM 1669 C CG . MET A 1 213 ? -38.280 3.623 12.289 1.00 30.24 ? 213 MET A CG 1 ATOM 1670 S SD . MET A 1 213 ? -38.768 2.209 13.258 1.00 33.31 ? 213 MET A SD 1 ATOM 1671 C CE . MET A 1 213 ? -37.775 2.361 14.727 1.00 33.72 ? 213 MET A CE 1 ATOM 1672 N N . ALA A 1 214 ? -41.368 6.341 14.298 1.00 28.01 ? 214 ALA A N 1 ATOM 1673 C CA . ALA A 1 214 ? -41.809 7.554 14.965 1.00 29.55 ? 214 ALA A CA 1 ATOM 1674 C C . ALA A 1 214 ? -40.701 8.620 14.998 1.00 31.23 ? 214 ALA A C 1 ATOM 1675 O O . ALA A 1 214 ? -39.502 8.273 15.191 1.00 30.09 ? 214 ALA A O 1 ATOM 1676 C CB . ALA A 1 214 ? -42.221 7.229 16.394 1.00 31.59 ? 214 ALA A CB 1 ATOM 1677 N N . VAL A 1 215 ? -41.068 9.888 14.785 1.00 28.18 ? 215 VAL A N 1 ATOM 1678 C CA . VAL A 1 215 ? -40.100 10.966 14.891 1.00 30.69 ? 215 VAL A CA 1 ATOM 1679 C C . VAL A 1 215 ? -40.503 11.960 15.950 1.00 33.36 ? 215 VAL A C 1 ATOM 1680 O O . VAL A 1 215 ? -41.647 11.972 16.389 1.00 35.05 ? 215 VAL A O 1 ATOM 1681 C CB . VAL A 1 215 ? -39.838 11.688 13.548 1.00 31.43 ? 215 VAL A CB 1 ATOM 1682 C CG1 . VAL A 1 215 ? -39.313 10.721 12.468 1.00 34.11 ? 215 VAL A CG1 1 ATOM 1683 C CG2 . VAL A 1 215 ? -41.031 12.481 13.083 1.00 30.77 ? 215 VAL A CG2 1 ATOM 1684 N N . ASN A 1 216 ? -39.557 12.799 16.376 1.00 32.68 ? 216 ASN A N 1 ATOM 1685 C CA . ASN A 1 216 ? -39.875 13.906 17.304 1.00 31.77 ? 216 ASN A CA 1 ATOM 1686 C C . ASN A 1 216 ? -41.001 14.831 16.690 1.00 31.13 ? 216 ASN A C 1 ATOM 1687 O O . ASN A 1 216 ? -40.932 15.258 15.517 1.00 28.70 ? 216 ASN A O 1 ATOM 1688 C CB . ASN A 1 216 ? -38.604 14.740 17.587 1.00 30.28 ? 216 ASN A CB 1 ATOM 1689 C CG . ASN A 1 216 ? -38.626 15.431 18.959 1.00 29.84 ? 216 ASN A CG 1 ATOM 1690 O OD1 . ASN A 1 216 ? -39.310 16.422 19.166 1.00 26.85 ? 216 ASN A OD1 1 ATOM 1691 N ND2 . ASN A 1 216 ? -37.833 14.939 19.867 1.00 33.99 ? 216 ASN A ND2 1 ATOM 1692 N N . GLN A 1 217 ? -42.017 15.111 17.510 1.00 33.18 ? 217 GLN A N 1 ATOM 1693 C CA . GLN A 1 217 ? -43.110 16.068 17.221 1.00 34.99 ? 217 GLN A CA 1 ATOM 1694 C C . GLN A 1 217 ? -42.896 17.467 17.775 1.00 38.62 ? 217 GLN A C 1 ATOM 1695 O O . GLN A 1 217 ? -43.621 18.397 17.411 1.00 39.96 ? 217 GLN A O 1 ATOM 1696 C CB . GLN A 1 217 ? -44.387 15.515 17.792 1.00 35.55 ? 217 GLN A CB 1 ATOM 1697 C CG . GLN A 1 217 ? -44.754 14.186 17.136 1.00 41.39 ? 217 GLN A CG 1 ATOM 1698 C CD . GLN A 1 217 ? -45.072 14.389 15.688 1.00 47.27 ? 217 GLN A CD 1 ATOM 1699 O OE1 . GLN A 1 217 ? -45.983 15.151 15.380 1.00 58.06 ? 217 GLN A OE1 1 ATOM 1700 N NE2 . GLN A 1 217 ? -44.294 13.763 14.775 1.00 51.43 ? 217 GLN A NE2 1 ATOM 1701 N N . GLU A 1 218 ? -41.889 17.631 18.628 1.00 38.66 ? 218 GLU A N 1 ATOM 1702 C CA . GLU A 1 218 ? -41.617 18.912 19.263 1.00 38.14 ? 218 GLU A CA 1 ATOM 1703 C C . GLU A 1 218 ? -40.519 19.678 18.605 1.00 34.49 ? 218 GLU A C 1 ATOM 1704 O O . GLU A 1 218 ? -40.449 20.861 18.812 1.00 41.28 ? 218 GLU A O 1 ATOM 1705 C CB . GLU A 1 218 ? -41.282 18.720 20.739 1.00 41.54 ? 218 GLU A CB 1 ATOM 1706 C CG . GLU A 1 218 ? -42.432 18.196 21.601 1.00 44.92 ? 218 GLU A CG 1 ATOM 1707 C CD . GLU A 1 218 ? -42.079 18.143 23.087 1.00 53.24 ? 218 GLU A CD 1 ATOM 1708 O OE1 . GLU A 1 218 ? -42.304 17.101 23.742 1.00 61.06 ? 218 GLU A OE1 1 ATOM 1709 O OE2 . GLU A 1 218 ? -41.574 19.161 23.613 1.00 64.39 ? 218 GLU A OE2 1 ATOM 1710 N N . ALA A 1 219 ? -39.671 19.055 17.796 1.00 34.28 ? 219 ALA A N 1 ATOM 1711 C CA . ALA A 1 219 ? -38.525 19.776 17.218 1.00 31.67 ? 219 ALA A CA 1 ATOM 1712 C C . ALA A 1 219 ? -38.088 19.146 15.928 1.00 28.03 ? 219 ALA A C 1 ATOM 1713 O O . ALA A 1 219 ? -38.247 17.969 15.747 1.00 31.19 ? 219 ALA A O 1 ATOM 1714 C CB . ALA A 1 219 ? -37.379 19.774 18.215 1.00 31.14 ? 219 ALA A CB 1 ATOM 1715 N N . SER A 1 220 ? -37.446 19.915 15.081 1.00 30.37 ? 220 SER A N 1 ATOM 1716 C CA . SER A 1 220 ? -36.946 19.446 13.784 1.00 33.56 ? 220 SER A CA 1 ATOM 1717 C C . SER A 1 220 ? -35.577 20.043 13.521 1.00 30.08 ? 220 SER A C 1 ATOM 1718 O O . SER A 1 220 ? -35.236 21.024 14.118 1.00 32.69 ? 220 SER A O 1 ATOM 1719 C CB . SER A 1 220 ? -37.917 19.810 12.628 1.00 35.77 ? 220 SER A CB 1 ATOM 1720 O OG . SER A 1 220 ? -37.877 21.212 12.292 1.00 47.03 ? 220 SER A OG 1 ATOM 1721 N N . ASP A 1 221 ? -34.827 19.460 12.591 1.00 29.28 ? 221 ASP A N 1 ATOM 1722 C CA . ASP A 1 221 ? -33.475 19.888 12.269 1.00 29.38 ? 221 ASP A CA 1 ATOM 1723 C C . ASP A 1 221 ? -33.538 20.414 10.866 1.00 30.42 ? 221 ASP A C 1 ATOM 1724 O O . ASP A 1 221 ? -33.254 19.705 9.905 1.00 29.96 ? 221 ASP A O 1 ATOM 1725 C CB . ASP A 1 221 ? -32.543 18.675 12.456 1.00 30.32 ? 221 ASP A CB 1 ATOM 1726 C CG . ASP A 1 221 ? -31.090 18.996 12.239 1.00 30.45 ? 221 ASP A CG 1 ATOM 1727 O OD1 . ASP A 1 221 ? -30.750 20.194 12.022 1.00 28.68 ? 221 ASP A OD1 1 ATOM 1728 O OD2 . ASP A 1 221 ? -30.289 18.020 12.309 1.00 23.56 ? 221 ASP A OD2 1 ATOM 1729 N N . HIS A 1 222 ? -33.997 21.670 10.738 1.00 35.88 ? 222 HIS A N 1 ATOM 1730 C CA . HIS A 1 222 ? -34.196 22.316 9.444 1.00 38.74 ? 222 HIS A CA 1 ATOM 1731 C C . HIS A 1 222 ? -35.100 21.412 8.624 1.00 35.44 ? 222 HIS A C 1 ATOM 1732 O O . HIS A 1 222 ? -34.817 21.074 7.471 1.00 36.41 ? 222 HIS A O 1 ATOM 1733 C CB . HIS A 1 222 ? -32.844 22.571 8.720 1.00 41.25 ? 222 HIS A CB 1 ATOM 1734 C CG . HIS A 1 222 ? -31.903 23.453 9.484 1.00 46.03 ? 222 HIS A CG 1 ATOM 1735 N ND1 . HIS A 1 222 ? -30.646 23.052 9.884 1.00 45.54 ? 222 HIS A ND1 1 ATOM 1736 C CD2 . HIS A 1 222 ? -32.054 24.713 9.945 1.00 50.35 ? 222 HIS A CD2 1 ATOM 1737 C CE1 . HIS A 1 222 ? -30.063 24.029 10.552 1.00 47.56 ? 222 HIS A CE1 1 ATOM 1738 N NE2 . HIS A 1 222 ? -30.897 25.047 10.606 1.00 50.08 ? 222 HIS A NE2 1 ATOM 1739 N N . GLY A 1 223 ? -36.144 20.929 9.270 1.00 39.73 ? 223 GLY A N 1 ATOM 1740 C CA . GLY A 1 223 ? -37.137 20.067 8.618 1.00 35.93 ? 223 GLY A CA 1 ATOM 1741 C C . GLY A 1 223 ? -36.819 18.608 8.511 1.00 37.87 ? 223 GLY A C 1 ATOM 1742 O O . GLY A 1 223 ? -37.592 17.912 7.905 1.00 43.86 ? 223 GLY A O 1 ATOM 1743 N N . LEU A 1 224 ? -35.655 18.141 8.991 1.00 36.36 ? 224 LEU A N 1 ATOM 1744 C CA . LEU A 1 224 ? -35.349 16.700 9.064 1.00 32.81 ? 224 LEU A CA 1 ATOM 1745 C C . LEU A 1 224 ? -35.661 16.235 10.479 1.00 30.80 ? 224 LEU A C 1 ATOM 1746 O O . LEU A 1 224 ? -35.643 17.026 11.430 1.00 28.52 ? 224 LEU A O 1 ATOM 1747 C CB . LEU A 1 224 ? -33.870 16.362 8.695 1.00 32.34 ? 224 LEU A CB 1 ATOM 1748 C CG . LEU A 1 224 ? -33.298 16.917 7.362 1.00 35.16 ? 224 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 224 ? -31.834 16.639 7.057 1.00 33.52 ? 224 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 224 ? -34.160 16.537 6.156 1.00 36.94 ? 224 LEU A CD2 1 ATOM 1751 N N . ALA A 1 225 ? -35.860 14.934 10.613 1.00 29.60 ? 225 ALA A N 1 ATOM 1752 C CA . ALA A 1 225 ? -36.312 14.341 11.854 1.00 29.64 ? 225 ALA A CA 1 ATOM 1753 C C . ALA A 1 225 ? -35.235 14.225 12.934 1.00 28.97 ? 225 ALA A C 1 ATOM 1754 O O . ALA A 1 225 ? -34.039 13.959 12.652 1.00 26.61 ? 225 ALA A O 1 ATOM 1755 C CB . ALA A 1 225 ? -36.875 12.972 11.601 1.00 30.84 ? 225 ALA A CB 1 ATOM 1756 N N . TYR A 1 226 ? -35.701 14.399 14.165 1.00 26.59 ? 226 TYR A N 1 ATOM 1757 C CA . TYR A 1 226 ? -35.005 13.937 15.334 1.00 27.19 ? 226 TYR A CA 1 ATOM 1758 C C . TYR A 1 226 ? -35.641 12.644 15.802 1.00 27.18 ? 226 TYR A C 1 ATOM 1759 O O . TYR A 1 226 ? -36.828 12.370 15.461 1.00 25.96 ? 226 TYR A O 1 ATOM 1760 C CB . TYR A 1 226 ? -35.131 14.963 16.457 1.00 28.56 ? 226 TYR A CB 1 ATOM 1761 C CG . TYR A 1 226 ? -34.344 16.230 16.238 1.00 28.71 ? 226 TYR A CG 1 ATOM 1762 C CD1 . TYR A 1 226 ? -32.967 16.173 15.954 1.00 29.02 ? 226 TYR A CD1 1 ATOM 1763 C CD2 . TYR A 1 226 ? -34.962 17.495 16.327 1.00 29.98 ? 226 TYR A CD2 1 ATOM 1764 C CE1 . TYR A 1 226 ? -32.232 17.319 15.782 1.00 28.71 ? 226 TYR A CE1 1 ATOM 1765 C CE2 . TYR A 1 226 ? -34.219 18.673 16.152 1.00 31.04 ? 226 TYR A CE2 1 ATOM 1766 C CZ . TYR A 1 226 ? -32.850 18.564 15.896 1.00 32.51 ? 226 TYR A CZ 1 ATOM 1767 O OH . TYR A 1 226 ? -32.045 19.653 15.701 1.00 30.46 ? 226 TYR A OH 1 ATOM 1768 N N . LEU A 1 227 ? -34.901 11.862 16.600 1.00 24.76 ? 227 LEU A N 1 ATOM 1769 C CA . LEU A 1 227 ? -35.518 10.765 17.373 1.00 25.65 ? 227 LEU A CA 1 ATOM 1770 C C . LEU A 1 227 ? -36.592 11.320 18.347 1.00 26.14 ? 227 LEU A C 1 ATOM 1771 O O . LEU A 1 227 ? -36.479 12.482 18.823 1.00 25.82 ? 227 LEU A O 1 ATOM 1772 C CB . LEU A 1 227 ? -34.474 9.961 18.205 1.00 29.32 ? 227 LEU A CB 1 ATOM 1773 C CG . LEU A 1 227 ? -33.823 8.802 17.426 1.00 35.88 ? 227 LEU A CG 1 ATOM 1774 C CD1 . LEU A 1 227 ? -32.685 9.347 16.608 1.00 40.71 ? 227 LEU A CD1 1 ATOM 1775 C CD2 . LEU A 1 227 ? -33.320 7.643 18.293 1.00 38.46 ? 227 LEU A CD2 1 ATOM 1776 N N . PRO A 1 228 ? -37.610 10.506 18.690 1.00 26.48 ? 228 PRO A N 1 ATOM 1777 C CA . PRO A 1 228 ? -38.598 10.989 19.669 1.00 27.29 ? 228 PRO A CA 1 ATOM 1778 C C . PRO A 1 228 ? -37.979 11.077 21.059 1.00 30.62 ? 228 PRO A C 1 ATOM 1779 O O . PRO A 1 228 ? -37.038 10.354 21.392 1.00 26.11 ? 228 PRO A O 1 ATOM 1780 C CB . PRO A 1 228 ? -39.689 9.914 19.676 1.00 27.52 ? 228 PRO A CB 1 ATOM 1781 C CG . PRO A 1 228 ? -39.359 8.979 18.552 1.00 31.89 ? 228 PRO A CG 1 ATOM 1782 C CD . PRO A 1 228 ? -37.966 9.193 18.121 1.00 28.60 ? 228 PRO A CD 1 ATOM 1783 N N . PHE A 1 229 ? -38.515 11.964 21.874 1.00 33.66 ? 229 PHE A N 1 ATOM 1784 C CA . PHE A 1 229 ? -38.136 12.005 23.282 1.00 33.48 ? 229 PHE A CA 1 ATOM 1785 C C . PHE A 1 229 ? -38.800 10.900 24.008 1.00 35.52 ? 229 PHE A C 1 ATOM 1786 O O . PHE A 1 229 ? -39.886 10.484 23.653 1.00 39.31 ? 229 PHE A O 1 ATOM 1787 C CB . PHE A 1 229 ? -38.606 13.282 23.938 1.00 30.76 ? 229 PHE A CB 1 ATOM 1788 C CG . PHE A 1 229 ? -37.950 14.526 23.416 1.00 30.72 ? 229 PHE A CG 1 ATOM 1789 C CD1 . PHE A 1 229 ? -36.548 14.638 23.345 1.00 30.01 ? 229 PHE A CD1 1 ATOM 1790 C CD2 . PHE A 1 229 ? -38.734 15.647 23.107 1.00 31.02 ? 229 PHE A CD2 1 ATOM 1791 C CE1 . PHE A 1 229 ? -35.952 15.815 22.908 1.00 32.40 ? 229 PHE A CE1 1 ATOM 1792 C CE2 . PHE A 1 229 ? -38.149 16.828 22.695 1.00 32.45 ? 229 PHE A CE2 1 ATOM 1793 C CZ . PHE A 1 229 ? -36.752 16.914 22.570 1.00 31.15 ? 229 PHE A CZ 1 ATOM 1794 N N . ASN A 1 230 ? -38.151 10.469 25.065 1.00 39.55 ? 230 ASN A N 1 ATOM 1795 C CA . ASN A 1 230 ? -38.741 9.591 26.019 1.00 40.42 ? 230 ASN A CA 1 ATOM 1796 C C . ASN A 1 230 ? -39.573 10.416 26.962 1.00 42.94 ? 230 ASN A C 1 ATOM 1797 O O . ASN A 1 230 ? -39.037 11.241 27.702 1.00 43.81 ? 230 ASN A O 1 ATOM 1798 C CB . ASN A 1 230 ? -37.637 8.893 26.798 1.00 48.49 ? 230 ASN A CB 1 ATOM 1799 C CG . ASN A 1 230 ? -38.169 7.949 27.853 1.00 52.47 ? 230 ASN A CG 1 ATOM 1800 O OD1 . ASN A 1 230 ? -39.367 7.886 28.122 1.00 57.82 ? 230 ASN A OD1 1 ATOM 1801 N ND2 . ASN A 1 230 ? -37.273 7.209 28.452 1.00 52.73 ? 230 ASN A ND2 1 ATOM 1802 N N . ASN A 1 231 ? -40.871 10.147 26.968 1.00 45.69 ? 231 ASN A N 1 ATOM 1803 C CA . ASN A 1 231 ? -41.814 10.704 27.944 1.00 56.46 ? 231 ASN A CA 1 ATOM 1804 C C . ASN A 1 231 ? -42.038 9.675 29.083 1.00 61.63 ? 231 ASN A C 1 ATOM 1805 O O . ASN A 1 231 ? -42.862 8.767 29.008 1.00 58.85 ? 231 ASN A O 1 ATOM 1806 C CB . ASN A 1 231 ? -43.077 11.147 27.215 1.00 56.12 ? 231 ASN A CB 1 ATOM 1807 C CG . ASN A 1 231 ? -42.744 11.940 25.955 1.00 62.09 ? 231 ASN A CG 1 ATOM 1808 O OD1 . ASN A 1 231 ? -42.436 13.135 26.020 1.00 59.86 ? 231 ASN A OD1 1 ATOM 1809 N ND2 . ASN A 1 231 ? -42.721 11.257 24.806 1.00 67.25 ? 231 ASN A ND2 1 ATOM 1810 N N . LYS A 1 232 ? -41.173 9.804 30.079 1.00 73.30 ? 232 LYS A N 1 ATOM 1811 C CA . LYS A 1 232 ? -41.131 9.045 31.317 1.00 67.26 ? 232 LYS A CA 1 ATOM 1812 C C . LYS A 1 232 ? -40.009 9.931 31.945 1.00 74.79 ? 232 LYS A C 1 ATOM 1813 O O . LYS A 1 232 ? -39.329 10.670 31.211 1.00 79.49 ? 232 LYS A O 1 ATOM 1814 C CB . LYS A 1 232 ? -40.788 7.555 31.096 1.00 68.86 ? 232 LYS A CB 1 ATOM 1815 C CG . LYS A 1 232 ? -41.739 6.714 30.190 1.00 65.36 ? 232 LYS A CG 1 ATOM 1816 C CD . LYS A 1 232 ? -41.308 5.248 30.128 1.00 60.45 ? 232 LYS A CD 1 ATOM 1817 C CE . LYS A 1 232 ? -39.827 5.100 29.747 1.00 48.87 ? 232 LYS A CE 1 ATOM 1818 N NZ . LYS A 1 232 ? -39.323 3.768 29.685 1.00 36.15 ? 232 LYS A NZ 1 ATOM 1819 N N . LYS A 1 233 ? -39.913 9.982 33.265 1.00 76.29 ? 233 LYS A N 1 ATOM 1820 C CA . LYS A 1 233 ? -39.014 10.911 33.946 1.00 80.20 ? 233 LYS A CA 1 ATOM 1821 C C . LYS A 1 233 ? -38.727 10.182 35.225 1.00 79.83 ? 233 LYS A C 1 ATOM 1822 O O . LYS A 1 233 ? -39.580 9.432 35.684 1.00 73.60 ? 233 LYS A O 1 ATOM 1823 C CB . LYS A 1 233 ? -39.595 12.320 34.263 1.00 91.34 ? 233 LYS A CB 1 ATOM 1824 C CG . LYS A 1 233 ? -39.921 13.192 33.047 1.00 93.12 ? 233 LYS A CG 1 ATOM 1825 C CD . LYS A 1 233 ? -40.752 14.418 33.407 1.00 96.85 ? 233 LYS A CD 1 ATOM 1826 C CE . LYS A 1 233 ? -39.987 15.485 34.176 1.00 100.09 ? 233 LYS A CE 1 ATOM 1827 N NZ . LYS A 1 233 ? -40.762 16.762 34.218 1.00 94.82 ? 233 LYS A NZ 1 ATOM 1828 N N . PRO A 1 234 ? -37.547 10.355 35.814 1.00 88.30 ? 234 PRO A N 1 ATOM 1829 C CA . PRO A 1 234 ? -36.482 11.239 35.322 1.00 90.52 ? 234 PRO A CA 1 ATOM 1830 C C . PRO A 1 234 ? -35.480 10.581 34.345 1.00 82.69 ? 234 PRO A C 1 ATOM 1831 O O . PRO A 1 234 ? -34.598 9.809 34.782 1.00 84.69 ? 234 PRO A O 1 ATOM 1832 C CB . PRO A 1 234 ? -35.764 11.669 36.620 1.00 91.10 ? 234 PRO A CB 1 ATOM 1833 C CG . PRO A 1 234 ? -36.030 10.564 37.596 1.00 90.58 ? 234 PRO A CG 1 ATOM 1834 C CD . PRO A 1 234 ? -37.391 10.035 37.250 1.00 90.75 ? 234 PRO A CD 1 ATOM 1835 N N . SER A 1 235 ? -35.594 10.909 33.050 1.00 58.96 ? 235 SER A N 1 ATOM 1836 C CA . SER A 1 235 ? -34.497 10.650 32.130 1.00 57.16 ? 235 SER A CA 1 ATOM 1837 C C . SER A 1 235 ? -33.403 11.684 32.492 1.00 47.80 ? 235 SER A C 1 ATOM 1838 O O . SER A 1 235 ? -33.686 12.882 32.700 1.00 46.63 ? 235 SER A O 1 ATOM 1839 C CB . SER A 1 235 ? -34.914 10.609 30.618 1.00 52.35 ? 235 SER A CB 1 ATOM 1840 O OG . SER A 1 235 ? -35.015 11.885 30.001 1.00 52.66 ? 235 SER A OG 1 ATOM 1841 N N . PRO A 1 236 ? -32.149 11.215 32.627 1.00 44.10 ? 236 PRO A N 1 ATOM 1842 C CA . PRO A 1 236 ? -31.052 12.083 33.113 1.00 42.52 ? 236 PRO A CA 1 ATOM 1843 C C . PRO A 1 236 ? -30.709 13.274 32.202 1.00 39.81 ? 236 PRO A C 1 ATOM 1844 O O . PRO A 1 236 ? -30.096 14.221 32.679 1.00 38.42 ? 236 PRO A O 1 ATOM 1845 C CB . PRO A 1 236 ? -29.856 11.124 33.202 1.00 45.45 ? 236 PRO A CB 1 ATOM 1846 C CG . PRO A 1 236 ? -30.187 10.001 32.255 1.00 43.11 ? 236 PRO A CG 1 ATOM 1847 C CD . PRO A 1 236 ? -31.678 9.863 32.292 1.00 42.55 ? 236 PRO A CD 1 ATOM 1848 N N . CYS A 1 237 ? -31.057 13.226 30.902 1.00 33.12 ? 237 CYS A N 1 ATOM 1849 C CA . CYS A 1 237 ? -30.709 14.340 30.012 1.00 33.88 ? 237 CYS A CA 1 ATOM 1850 C C . CYS A 1 237 ? -31.419 15.629 30.423 1.00 36.92 ? 237 CYS A C 1 ATOM 1851 O O . CYS A 1 237 ? -30.957 16.725 30.134 1.00 33.70 ? 237 CYS A O 1 ATOM 1852 C CB . CYS A 1 237 ? -31.054 14.021 28.552 1.00 35.88 ? 237 CYS A CB 1 ATOM 1853 S SG . CYS A 1 237 ? -30.320 12.494 27.920 1.00 32.74 ? 237 CYS A SG 1 ATOM 1854 N N . GLU A 1 238 ? -32.546 15.497 31.102 1.00 42.79 ? 238 GLU A N 1 ATOM 1855 C CA . GLU A 1 238 ? -33.219 16.663 31.685 1.00 51.56 ? 238 GLU A CA 1 ATOM 1856 C C . GLU A 1 238 ? -32.442 17.346 32.807 1.00 46.97 ? 238 GLU A C 1 ATOM 1857 O O . GLU A 1 238 ? -32.359 18.569 32.840 1.00 47.05 ? 238 GLU A O 1 ATOM 1858 C CB . GLU A 1 238 ? -34.554 16.254 32.243 1.00 55.71 ? 238 GLU A CB 1 ATOM 1859 C CG . GLU A 1 238 ? -35.571 15.981 31.176 1.00 62.00 ? 238 GLU A CG 1 ATOM 1860 C CD . GLU A 1 238 ? -36.861 15.553 31.809 1.00 69.98 ? 238 GLU A CD 1 ATOM 1861 O OE1 . GLU A 1 238 ? -36.839 14.472 32.440 1.00 70.63 ? 238 GLU A OE1 1 ATOM 1862 O OE2 . GLU A 1 238 ? -37.855 16.319 31.711 1.00 78.17 ? 238 GLU A OE2 1 ATOM 1863 N N . PHE A 1 239 ? -31.926 16.528 33.709 1.00 47.50 ? 239 PHE A N 1 ATOM 1864 C CA . PHE A 1 239 ? -31.122 16.934 34.867 1.00 55.68 ? 239 PHE A CA 1 ATOM 1865 C C . PHE A 1 239 ? -29.830 17.683 34.514 1.00 54.70 ? 239 PHE A C 1 ATOM 1866 O O . PHE A 1 239 ? -29.340 18.469 35.336 1.00 51.47 ? 239 PHE A O 1 ATOM 1867 C CB . PHE A 1 239 ? -30.797 15.665 35.725 1.00 61.60 ? 239 PHE A CB 1 ATOM 1868 C CG . PHE A 1 239 ? -29.795 15.874 36.863 1.00 71.55 ? 239 PHE A CG 1 ATOM 1869 C CD1 . PHE A 1 239 ? -28.424 15.630 36.666 1.00 78.49 ? 239 PHE A CD1 1 ATOM 1870 C CD2 . PHE A 1 239 ? -30.223 16.250 38.152 1.00 77.84 ? 239 PHE A CD2 1 ATOM 1871 C CE1 . PHE A 1 239 ? -27.504 15.799 37.706 1.00 83.53 ? 239 PHE A CE1 1 ATOM 1872 C CE2 . PHE A 1 239 ? -29.308 16.418 39.197 1.00 80.36 ? 239 PHE A CE2 1 ATOM 1873 C CZ . PHE A 1 239 ? -27.949 16.191 38.974 1.00 85.08 ? 239 PHE A CZ 1 ATOM 1874 N N . ILE A 1 240 ? -29.241 17.435 33.344 1.00 46.34 ? 240 ILE A N 1 ATOM 1875 C CA . ILE A 1 240 ? -27.931 18.021 33.108 1.00 45.27 ? 240 ILE A CA 1 ATOM 1876 C C . ILE A 1 240 ? -28.044 19.497 32.717 1.00 42.56 ? 240 ILE A C 1 ATOM 1877 O O . ILE A 1 240 ? -27.116 20.248 32.908 1.00 44.19 ? 240 ILE A O 1 ATOM 1878 C CB . ILE A 1 240 ? -27.026 17.173 32.173 1.00 49.03 ? 240 ILE A CB 1 ATOM 1879 C CG1 . ILE A 1 240 ? -27.573 17.115 30.752 1.00 48.85 ? 240 ILE A CG1 1 ATOM 1880 C CG2 . ILE A 1 240 ? -26.755 15.766 32.752 1.00 49.89 ? 240 ILE A CG2 1 ATOM 1881 C CD1 . ILE A 1 240 ? -26.840 18.064 29.848 1.00 46.50 ? 240 ILE A CD1 1 ATOM 1882 N N . ASN A 1 241 ? -29.197 19.927 32.221 1.00 42.98 ? 241 ASN A N 1 ATOM 1883 C CA . ASN A 1 241 ? -29.471 21.364 32.074 1.00 41.91 ? 241 ASN A CA 1 ATOM 1884 C C . ASN A 1 241 ? -30.950 21.603 32.335 1.00 44.94 ? 241 ASN A C 1 ATOM 1885 O O . ASN A 1 241 ? -31.755 21.476 31.420 1.00 44.01 ? 241 ASN A O 1 ATOM 1886 C CB . ASN A 1 241 ? -29.056 21.847 30.675 1.00 37.83 ? 241 ASN A CB 1 ATOM 1887 C CG . ASN A 1 241 ? -29.262 23.331 30.471 1.00 37.09 ? 241 ASN A CG 1 ATOM 1888 O OD1 . ASN A 1 241 ? -30.083 23.935 31.115 1.00 37.80 ? 241 ASN A OD1 1 ATOM 1889 N ND2 . ASN A 1 241 ? -28.530 23.913 29.541 1.00 35.22 ? 241 ASN A ND2 1 ATOM 1890 N N . THR A 1 242 ? -31.300 21.965 33.571 1.00 45.06 ? 242 THR A N 1 ATOM 1891 C CA . THR A 1 242 ? -32.714 22.120 33.956 1.00 49.14 ? 242 THR A CA 1 ATOM 1892 C C . THR A 1 242 ? -33.389 23.356 33.331 1.00 50.07 ? 242 THR A C 1 ATOM 1893 O O . THR A 1 242 ? -34.611 23.502 33.366 1.00 63.18 ? 242 THR A O 1 ATOM 1894 C CB . THR A 1 242 ? -32.913 22.162 35.484 1.00 47.54 ? 242 THR A CB 1 ATOM 1895 O OG1 . THR A 1 242 ? -32.026 23.117 36.051 1.00 48.20 ? 242 THR A OG1 1 ATOM 1896 C CG2 . THR A 1 242 ? -32.643 20.819 36.105 1.00 50.56 ? 242 THR A CG2 1 ATOM 1897 N N . THR A 1 243 ? -32.621 24.231 32.733 1.00 42.02 ? 243 THR A N 1 ATOM 1898 C CA . THR A 1 243 ? -33.203 25.315 31.981 1.00 40.97 ? 243 THR A CA 1 ATOM 1899 C C . THR A 1 243 ? -33.686 24.849 30.609 1.00 46.28 ? 243 THR A C 1 ATOM 1900 O O . THR A 1 243 ? -34.773 25.232 30.183 1.00 50.07 ? 243 THR A O 1 ATOM 1901 C CB . THR A 1 243 ? -32.181 26.458 31.883 1.00 41.33 ? 243 THR A CB 1 ATOM 1902 O OG1 . THR A 1 243 ? -32.024 27.015 33.198 1.00 44.59 ? 243 THR A OG1 1 ATOM 1903 C CG2 . THR A 1 243 ? -32.616 27.540 30.925 1.00 41.73 ? 243 THR A CG2 1 ATOM 1904 N N . ALA A 1 244 ? -32.887 24.039 29.911 1.00 41.93 ? 244 ALA A N 1 ATOM 1905 C CA . ALA A 1 244 ? -33.242 23.591 28.563 1.00 40.81 ? 244 ALA A CA 1 ATOM 1906 C C . ALA A 1 244 ? -34.316 22.524 28.662 1.00 41.81 ? 244 ALA A C 1 ATOM 1907 O O . ALA A 1 244 ? -35.193 22.424 27.804 1.00 43.58 ? 244 ALA A O 1 ATOM 1908 C CB . ALA A 1 244 ? -32.039 23.029 27.839 1.00 41.70 ? 244 ALA A CB 1 ATOM 1909 N N . ARG A 1 245 ? -34.176 21.693 29.684 1.00 41.09 ? 245 ARG A N 1 ATOM 1910 C CA . ARG A 1 245 ? -35.165 20.720 30.051 1.00 48.07 ? 245 ARG A CA 1 ATOM 1911 C C . ARG A 1 245 ? -35.489 19.775 28.865 1.00 41.81 ? 245 ARG A C 1 ATOM 1912 O O . ARG A 1 245 ? -36.650 19.430 28.611 1.00 37.70 ? 245 ARG A O 1 ATOM 1913 C CB . ARG A 1 245 ? -36.380 21.481 30.592 1.00 60.55 ? 245 ARG A CB 1 ATOM 1914 C CG . ARG A 1 245 ? -37.211 20.693 31.567 1.00 76.81 ? 245 ARG A CG 1 ATOM 1915 C CD . ARG A 1 245 ? -38.439 21.489 31.958 1.00 88.43 ? 245 ARG A CD 1 ATOM 1916 N NE . ARG A 1 245 ? -38.051 22.602 32.809 1.00 98.94 ? 245 ARG A NE 1 ATOM 1917 C CZ . ARG A 1 245 ? -37.731 22.494 34.102 1.00 110.83 ? 245 ARG A CZ 1 ATOM 1918 N NH1 . ARG A 1 245 ? -37.391 23.589 34.779 1.00 115.56 ? 245 ARG A NH1 1 ATOM 1919 N NH2 . ARG A 1 245 ? -37.741 21.314 34.738 1.00 108.72 ? 245 ARG A NH2 1 ATOM 1920 N N . VAL A 1 246 ? -34.434 19.337 28.176 1.00 35.74 ? 246 VAL A N 1 ATOM 1921 C CA . VAL A 1 246 ? -34.553 18.409 27.020 1.00 31.48 ? 246 VAL A CA 1 ATOM 1922 C C . VAL A 1 246 ? -34.316 16.962 27.441 1.00 27.71 ? 246 VAL A C 1 ATOM 1923 O O . VAL A 1 246 ? -33.217 16.579 27.879 1.00 29.21 ? 246 VAL A O 1 ATOM 1924 C CB . VAL A 1 246 ? -33.588 18.784 25.878 1.00 29.85 ? 246 VAL A CB 1 ATOM 1925 C CG1 . VAL A 1 246 ? -33.878 17.975 24.617 1.00 31.68 ? 246 VAL A CG1 1 ATOM 1926 C CG2 . VAL A 1 246 ? -33.670 20.279 25.586 1.00 31.67 ? 246 VAL A CG2 1 ATOM 1927 N N . PRO A 1 247 ? -35.340 16.129 27.303 1.00 27.34 ? 247 PRO A N 1 ATOM 1928 C CA . PRO A 1 247 ? -35.156 14.722 27.654 1.00 27.99 ? 247 PRO A CA 1 ATOM 1929 C C . PRO A 1 247 ? -34.205 13.933 26.753 1.00 29.58 ? 247 PRO A C 1 ATOM 1930 O O . PRO A 1 247 ? -33.800 14.390 25.664 1.00 27.76 ? 247 PRO A O 1 ATOM 1931 C CB . PRO A 1 247 ? -36.568 14.144 27.596 1.00 27.03 ? 247 PRO A CB 1 ATOM 1932 C CG . PRO A 1 247 ? -37.363 15.102 26.842 1.00 28.31 ? 247 PRO A CG 1 ATOM 1933 C CD . PRO A 1 247 ? -36.703 16.434 26.850 1.00 28.43 ? 247 PRO A CD 1 ATOM 1934 N N . CYS A 1 248 ? -33.853 12.736 27.220 1.00 30.64 ? 248 CYS A N 1 ATOM 1935 C CA . CYS A 1 248 ? -33.181 11.796 26.355 1.00 30.33 ? 248 CYS A CA 1 ATOM 1936 C C . CYS A 1 248 ? -34.062 11.342 25.178 1.00 29.29 ? 248 CYS A C 1 ATOM 1937 O O . CYS A 1 248 ? -35.314 11.337 25.230 1.00 28.16 ? 248 CYS A O 1 ATOM 1938 C CB . CYS A 1 248 ? -32.704 10.562 27.131 1.00 31.12 ? 248 CYS A CB 1 ATOM 1939 S SG . CYS A 1 248 ? -31.628 10.968 28.524 1.00 34.27 ? 248 CYS A SG 1 ATOM 1940 N N . PHE A 1 249 ? -33.374 10.900 24.135 1.00 27.12 ? 249 PHE A N 1 ATOM 1941 C CA . PHE A 1 249 ? -34.049 10.307 23.011 1.00 27.53 ? 249 PHE A CA 1 ATOM 1942 C C . PHE A 1 249 ? -34.536 8.882 23.301 1.00 29.14 ? 249 PHE A C 1 ATOM 1943 O O . PHE A 1 249 ? -33.965 8.146 24.084 1.00 36.60 ? 249 PHE A O 1 ATOM 1944 C CB . PHE A 1 249 ? -33.117 10.354 21.792 1.00 25.89 ? 249 PHE A CB 1 ATOM 1945 C CG . PHE A 1 249 ? -32.842 11.741 21.290 1.00 25.32 ? 249 PHE A CG 1 ATOM 1946 C CD1 . PHE A 1 249 ? -33.883 12.550 20.850 1.00 25.96 ? 249 PHE A CD1 1 ATOM 1947 C CD2 . PHE A 1 249 ? -31.562 12.251 21.262 1.00 27.29 ? 249 PHE A CD2 1 ATOM 1948 C CE1 . PHE A 1 249 ? -33.659 13.805 20.412 1.00 23.80 ? 249 PHE A CE1 1 ATOM 1949 C CE2 . PHE A 1 249 ? -31.320 13.531 20.796 1.00 26.14 ? 249 PHE A CE2 1 ATOM 1950 C CZ . PHE A 1 249 ? -32.363 14.298 20.347 1.00 25.82 ? 249 PHE A CZ 1 ATOM 1951 N N . LEU A 1 250 ? -35.587 8.463 22.633 1.00 31.21 ? 250 LEU A N 1 ATOM 1952 C CA . LEU A 1 250 ? -36.007 7.062 22.677 1.00 33.38 ? 250 LEU A CA 1 ATOM 1953 C C . LEU A 1 250 ? -35.516 6.365 21.427 1.00 29.65 ? 250 LEU A C 1 ATOM 1954 O O . LEU A 1 250 ? -35.832 6.828 20.340 1.00 25.78 ? 250 LEU A O 1 ATOM 1955 C CB . LEU A 1 250 ? -37.536 7.036 22.704 1.00 37.99 ? 250 LEU A CB 1 ATOM 1956 C CG . LEU A 1 250 ? -38.170 5.697 22.959 1.00 42.57 ? 250 LEU A CG 1 ATOM 1957 C CD1 . LEU A 1 250 ? -37.818 5.261 24.375 1.00 43.35 ? 250 LEU A CD1 1 ATOM 1958 C CD2 . LEU A 1 250 ? -39.671 5.796 22.706 1.00 41.80 ? 250 LEU A CD2 1 ATOM 1959 N N . ALA A 1 251 ? -34.750 5.264 21.574 1.00 29.79 ? 251 ALA A N 1 ATOM 1960 C CA . ALA A 1 251 ? -34.193 4.546 20.434 1.00 30.04 ? 251 ALA A CA 1 ATOM 1961 C C . ALA A 1 251 ? -34.259 3.049 20.667 1.00 30.73 ? 251 ALA A C 1 ATOM 1962 O O . ALA A 1 251 ? -34.684 2.615 21.755 1.00 27.62 ? 251 ALA A O 1 ATOM 1963 C CB . ALA A 1 251 ? -32.760 4.979 20.206 1.00 34.92 ? 251 ALA A CB 1 ATOM 1964 N N . GLY A 1 252 ? -33.820 2.270 19.654 1.00 29.06 ? 252 GLY A N 1 ATOM 1965 C CA . GLY A 1 252 ? -33.889 0.806 19.699 1.00 27.53 ? 252 GLY A CA 1 ATOM 1966 C C . GLY A 1 252 ? -33.075 0.271 20.844 1.00 29.11 ? 252 GLY A C 1 ATOM 1967 O O . GLY A 1 252 ? -33.256 -0.863 21.310 1.00 31.26 ? 252 GLY A O 1 ATOM 1968 N N . ASP A 1 253 ? -32.130 1.088 21.259 1.00 30.03 ? 253 ASP A N 1 ATOM 1969 C CA . ASP A 1 253 ? -31.229 0.778 22.319 1.00 31.85 ? 253 ASP A CA 1 ATOM 1970 C C . ASP A 1 253 ? -31.304 1.850 23.373 1.00 33.22 ? 253 ASP A C 1 ATOM 1971 O O . ASP A 1 253 ? -31.223 3.046 23.065 1.00 35.47 ? 253 ASP A O 1 ATOM 1972 C CB . ASP A 1 253 ? -29.839 0.756 21.762 1.00 32.20 ? 253 ASP A CB 1 ATOM 1973 C CG . ASP A 1 253 ? -28.851 0.222 22.748 1.00 34.61 ? 253 ASP A CG 1 ATOM 1974 O OD1 . ASP A 1 253 ? -28.813 -1.027 22.963 1.00 38.56 ? 253 ASP A OD1 1 ATOM 1975 O OD2 . ASP A 1 253 ? -28.158 1.058 23.354 1.00 32.11 ? 253 ASP A OD2 1 ATOM 1976 N N . SER A 1 254 ? -31.412 1.445 24.619 1.00 34.34 ? 254 SER A N 1 ATOM 1977 C CA . SER A 1 254 ? -31.518 2.441 25.676 1.00 40.62 ? 254 SER A CA 1 ATOM 1978 C C . SER A 1 254 ? -30.257 3.331 25.920 1.00 39.04 ? 254 SER A C 1 ATOM 1979 O O . SER A 1 254 ? -30.373 4.335 26.633 1.00 42.42 ? 254 SER A O 1 ATOM 1980 C CB . SER A 1 254 ? -31.976 1.761 26.977 1.00 46.07 ? 254 SER A CB 1 ATOM 1981 O OG . SER A 1 254 ? -33.320 1.321 26.816 1.00 54.27 ? 254 SER A OG 1 ATOM 1982 N N . ARG A 1 255 ? -29.085 3.006 25.341 1.00 32.09 ? 255 ARG A N 1 ATOM 1983 C CA . ARG A 1 255 ? -27.868 3.825 25.549 1.00 32.42 ? 255 ARG A CA 1 ATOM 1984 C C . ARG A 1 255 ? -27.708 4.974 24.568 1.00 29.83 ? 255 ARG A C 1 ATOM 1985 O O . ARG A 1 255 ? -26.714 5.683 24.652 1.00 29.26 ? 255 ARG A O 1 ATOM 1986 C CB . ARG A 1 255 ? -26.583 2.984 25.533 1.00 31.43 ? 255 ARG A CB 1 ATOM 1987 C CG . ARG A 1 255 ? -26.633 1.855 26.522 1.00 31.73 ? 255 ARG A CG 1 ATOM 1988 C CD . ARG A 1 255 ? -25.719 0.720 26.120 1.00 31.69 ? 255 ARG A CD 1 ATOM 1989 N NE . ARG A 1 255 ? -26.233 -0.105 25.011 1.00 29.13 ? 255 ARG A NE 1 ATOM 1990 C CZ . ARG A 1 255 ? -25.682 -1.264 24.611 1.00 29.41 ? 255 ARG A CZ 1 ATOM 1991 N NH1 . ARG A 1 255 ? -24.619 -1.766 25.239 1.00 31.70 ? 255 ARG A NH1 1 ATOM 1992 N NH2 . ARG A 1 255 ? -26.199 -1.948 23.601 1.00 29.43 ? 255 ARG A NH2 1 ATOM 1993 N N . ALA A 1 256 ? -28.684 5.168 23.682 1.00 27.24 ? 256 ALA A N 1 ATOM 1994 C CA . ALA A 1 256 ? -28.560 6.065 22.537 1.00 25.45 ? 256 ALA A CA 1 ATOM 1995 C C . ALA A 1 256 ? -28.177 7.495 22.910 1.00 22.92 ? 256 ALA A C 1 ATOM 1996 O O . ALA A 1 256 ? -27.425 8.109 22.178 1.00 21.27 ? 256 ALA A O 1 ATOM 1997 C CB . ALA A 1 256 ? -29.861 6.081 21.738 1.00 25.39 ? 256 ALA A CB 1 ATOM 1998 N N . SER A 1 257 ? -28.676 7.992 24.044 1.00 22.13 ? 257 SER A N 1 ATOM 1999 C CA . SER A 1 257 ? -28.324 9.349 24.530 1.00 25.27 ? 257 SER A CA 1 ATOM 2000 C C . SER A 1 257 ? -27.064 9.493 25.455 1.00 25.45 ? 257 SER A C 1 ATOM 2001 O O . SER A 1 257 ? -26.752 10.594 25.870 1.00 28.65 ? 257 SER A O 1 ATOM 2002 C CB . SER A 1 257 ? -29.549 9.959 25.209 1.00 26.00 ? 257 SER A CB 1 ATOM 2003 O OG . SER A 1 257 ? -30.674 9.832 24.365 1.00 28.71 ? 257 SER A OG 1 ATOM 2004 N N . GLU A 1 258 ? -26.371 8.387 25.731 1.00 26.91 ? 258 GLU A N 1 ATOM 2005 C CA . GLU A 1 258 ? -25.195 8.358 26.582 1.00 28.81 ? 258 GLU A CA 1 ATOM 2006 C C . GLU A 1 258 ? -24.205 9.446 26.249 1.00 27.06 ? 258 GLU A C 1 ATOM 2007 O O . GLU A 1 258 ? -23.630 10.018 27.121 1.00 26.39 ? 258 GLU A O 1 ATOM 2008 C CB . GLU A 1 258 ? -24.467 6.998 26.598 1.00 31.09 ? 258 GLU A CB 1 ATOM 2009 C CG A GLU A 1 258 ? -23.178 6.341 26.926 0.50 34.14 ? 258 GLU A CG 1 ATOM 2010 C CG B GLU A 1 258 ? -23.117 6.564 27.242 0.50 35.17 ? 258 GLU A CG 1 ATOM 2011 C CD A GLU A 1 258 ? -23.037 4.897 26.430 0.50 31.88 ? 258 GLU A CD 1 ATOM 2012 C CD B GLU A 1 258 ? -21.856 7.058 26.517 0.50 36.21 ? 258 GLU A CD 1 ATOM 2013 O OE1 A GLU A 1 258 ? -23.849 3.998 26.732 0.50 36.99 ? 258 GLU A OE1 1 ATOM 2014 O OE1 B GLU A 1 258 ? -21.926 7.072 25.295 0.50 34.52 ? 258 GLU A OE1 1 ATOM 2015 O OE2 A GLU A 1 258 ? -22.117 4.681 25.639 0.50 37.01 ? 258 GLU A OE2 1 ATOM 2016 O OE2 B GLU A 1 258 ? -20.777 7.379 27.114 0.50 41.48 ? 258 GLU A OE2 1 ATOM 2017 N N . GLN A 1 259 ? -23.979 9.650 24.966 1.00 23.84 ? 259 GLN A N 1 ATOM 2018 C CA . GLN A 1 259 ? -23.190 10.745 24.525 1.00 23.74 ? 259 GLN A CA 1 ATOM 2019 C C . GLN A 1 259 ? -23.663 11.201 23.148 1.00 24.43 ? 259 GLN A C 1 ATOM 2020 O O . GLN A 1 259 ? -24.192 10.431 22.358 1.00 18.75 ? 259 GLN A O 1 ATOM 2021 C CB . GLN A 1 259 ? -21.673 10.404 24.563 1.00 25.12 ? 259 GLN A CB 1 ATOM 2022 C CG . GLN A 1 259 ? -21.232 9.217 23.729 1.00 25.76 ? 259 GLN A CG 1 ATOM 2023 C CD . GLN A 1 259 ? -20.740 9.589 22.343 1.00 26.60 ? 259 GLN A CD 1 ATOM 2024 O OE1 . GLN A 1 259 ? -20.778 10.731 21.941 1.00 24.55 ? 259 GLN A OE1 1 ATOM 2025 N NE2 . GLN A 1 259 ? -20.323 8.598 21.586 1.00 27.49 ? 259 GLN A NE2 1 ATOM 2026 N N . ILE A 1 260 ? -23.388 12.479 22.870 1.00 22.06 ? 260 ILE A N 1 ATOM 2027 C CA . ILE A 1 260 ? -24.018 13.213 21.828 1.00 23.40 ? 260 ILE A CA 1 ATOM 2028 C C . ILE A 1 260 ? -23.726 12.715 20.434 1.00 22.37 ? 260 ILE A C 1 ATOM 2029 O O . ILE A 1 260 ? -24.605 12.831 19.530 1.00 23.83 ? 260 ILE A O 1 ATOM 2030 C CB . ILE A 1 260 ? -23.666 14.758 21.996 1.00 23.56 ? 260 ILE A CB 1 ATOM 2031 C CG1 . ILE A 1 260 ? -24.699 15.629 21.340 1.00 24.82 ? 260 ILE A CG1 1 ATOM 2032 C CG2 . ILE A 1 260 ? -22.278 15.137 21.450 1.00 23.30 ? 260 ILE A CG2 1 ATOM 2033 C CD1 . ILE A 1 260 ? -24.454 17.143 21.592 1.00 24.67 ? 260 ILE A CD1 1 ATOM 2034 N N . LEU A 1 261 ? -22.534 12.146 20.234 1.00 22.76 ? 261 LEU A N 1 ATOM 2035 C CA . LEU A 1 261 ? -22.150 11.621 18.906 1.00 22.13 ? 261 LEU A CA 1 ATOM 2036 C C . LEU A 1 261 ? -22.828 10.302 18.586 1.00 22.32 ? 261 LEU A C 1 ATOM 2037 O O . LEU A 1 261 ? -23.034 9.968 17.419 1.00 20.37 ? 261 LEU A O 1 ATOM 2038 C CB . LEU A 1 261 ? -20.603 11.514 18.737 1.00 22.48 ? 261 LEU A CB 1 ATOM 2039 C CG . LEU A 1 261 ? -19.846 12.889 18.662 1.00 22.07 ? 261 LEU A CG 1 ATOM 2040 C CD1 . LEU A 1 261 ? -18.352 12.707 18.478 1.00 22.86 ? 261 LEU A CD1 1 ATOM 2041 C CD2 . LEU A 1 261 ? -20.294 13.825 17.545 1.00 22.55 ? 261 LEU A CD2 1 ATOM 2042 N N . LEU A 1 262 ? -23.099 9.512 19.620 1.00 23.48 ? 262 LEU A N 1 ATOM 2043 C CA . LEU A 1 262 ? -23.836 8.288 19.495 1.00 22.06 ? 262 LEU A CA 1 ATOM 2044 C C . LEU A 1 262 ? -25.259 8.634 19.095 1.00 23.16 ? 262 LEU A C 1 ATOM 2045 O O . LEU A 1 262 ? -25.848 7.959 18.255 1.00 21.36 ? 262 LEU A O 1 ATOM 2046 C CB . LEU A 1 262 ? -23.865 7.539 20.836 1.00 20.53 ? 262 LEU A CB 1 ATOM 2047 C CG . LEU A 1 262 ? -24.542 6.198 20.939 1.00 19.99 ? 262 LEU A CG 1 ATOM 2048 C CD1 . LEU A 1 262 ? -24.022 5.216 19.888 1.00 20.10 ? 262 LEU A CD1 1 ATOM 2049 C CD2 . LEU A 1 262 ? -24.403 5.628 22.342 1.00 19.89 ? 262 LEU A CD2 1 ATOM 2050 N N . ALA A 1 263 ? -25.803 9.676 19.721 1.00 23.45 ? 263 ALA A N 1 ATOM 2051 C CA . ALA A 1 263 ? -27.199 10.077 19.463 1.00 23.84 ? 263 ALA A CA 1 ATOM 2052 C C . ALA A 1 263 ? -27.293 10.620 17.999 1.00 21.07 ? 263 ALA A C 1 ATOM 2053 O O . ALA A 1 263 ? -28.275 10.364 17.267 1.00 19.61 ? 263 ALA A O 1 ATOM 2054 C CB . ALA A 1 263 ? -27.685 11.092 20.489 1.00 21.23 ? 263 ALA A CB 1 ATOM 2055 N N . THR A 1 264 ? -26.267 11.334 17.614 1.00 19.71 ? 264 THR A N 1 ATOM 2056 C CA . THR A 1 264 ? -26.086 11.777 16.271 1.00 23.38 ? 264 THR A CA 1 ATOM 2057 C C . THR A 1 264 ? -26.174 10.646 15.265 1.00 23.83 ? 264 THR A C 1 ATOM 2058 O O . THR A 1 264 ? -26.917 10.741 14.291 1.00 23.93 ? 264 THR A O 1 ATOM 2059 C CB . THR A 1 264 ? -24.762 12.543 16.125 1.00 23.87 ? 264 THR A CB 1 ATOM 2060 O OG1 . THR A 1 264 ? -24.840 13.697 16.975 1.00 23.60 ? 264 THR A OG1 1 ATOM 2061 C CG2 . THR A 1 264 ? -24.513 12.973 14.676 1.00 24.70 ? 264 THR A CG2 1 ATOM 2062 N N . ALA A 1 265 ? -25.413 9.610 15.512 1.00 23.91 ? 265 ALA A N 1 ATOM 2063 C CA . ALA A 1 265 ? -25.385 8.401 14.672 1.00 24.27 ? 265 ALA A CA 1 ATOM 2064 C C . ALA A 1 265 ? -26.708 7.676 14.628 1.00 25.94 ? 265 ALA A C 1 ATOM 2065 O O . ALA A 1 265 ? -27.178 7.302 13.504 1.00 22.88 ? 265 ALA A O 1 ATOM 2066 C CB . ALA A 1 265 ? -24.286 7.482 15.121 1.00 26.23 ? 265 ALA A CB 1 ATOM 2067 N N . HIS A 1 266 ? -27.341 7.538 15.810 1.00 22.16 ? 266 HIS A N 1 ATOM 2068 C CA . HIS A 1 266 ? -28.716 7.030 15.882 1.00 20.41 ? 266 HIS A CA 1 ATOM 2069 C C . HIS A 1 266 ? -29.725 7.785 15.019 1.00 20.15 ? 266 HIS A C 1 ATOM 2070 O O . HIS A 1 266 ? -30.618 7.179 14.405 1.00 20.13 ? 266 HIS A O 1 ATOM 2071 C CB . HIS A 1 266 ? -29.246 7.014 17.309 1.00 21.22 ? 266 HIS A CB 1 ATOM 2072 C CG . HIS A 1 266 ? -28.921 5.763 18.061 1.00 20.06 ? 266 HIS A CG 1 ATOM 2073 N ND1 . HIS A 1 266 ? -29.679 4.622 17.968 1.00 22.19 ? 266 HIS A ND1 1 ATOM 2074 C CD2 . HIS A 1 266 ? -27.959 5.496 18.974 1.00 19.70 ? 266 HIS A CD2 1 ATOM 2075 C CE1 . HIS A 1 266 ? -29.177 3.688 18.766 1.00 21.39 ? 266 HIS A CE1 1 ATOM 2076 N NE2 . HIS A 1 266 ? -28.096 4.174 19.337 1.00 20.60 ? 266 HIS A NE2 1 ATOM 2077 N N . THR A 1 267 ? -29.650 9.101 15.056 1.00 20.29 ? 267 THR A N 1 ATOM 2078 C CA . THR A 1 267 ? -30.451 9.977 14.243 1.00 22.70 ? 267 THR A CA 1 ATOM 2079 C C . THR A 1 267 ? -30.242 9.764 12.720 1.00 23.89 ? 267 THR A C 1 ATOM 2080 O O . THR A 1 267 ? -31.224 9.806 11.972 1.00 23.59 ? 267 THR A O 1 ATOM 2081 C CB . THR A 1 267 ? -30.153 11.450 14.590 1.00 22.32 ? 267 THR A CB 1 ATOM 2082 O OG1 . THR A 1 267 ? -30.186 11.618 16.009 1.00 26.00 ? 267 THR A OG1 1 ATOM 2083 C CG2 . THR A 1 267 ? -31.179 12.389 13.992 1.00 22.98 ? 267 THR A CG2 1 ATOM 2084 N N . LEU A 1 268 ? -29.008 9.555 12.258 1.00 21.20 ? 268 LEU A N 1 ATOM 2085 C CA . LEU A 1 268 ? -28.786 9.372 10.818 1.00 23.54 ? 268 LEU A CA 1 ATOM 2086 C C . LEU A 1 268 ? -29.445 8.042 10.371 1.00 25.11 ? 268 LEU A C 1 ATOM 2087 O O . LEU A 1 268 ? -29.995 7.974 9.266 1.00 23.46 ? 268 LEU A O 1 ATOM 2088 C CB . LEU A 1 268 ? -27.282 9.335 10.472 1.00 24.23 ? 268 LEU A CB 1 ATOM 2089 C CG . LEU A 1 268 ? -26.488 10.618 10.686 1.00 26.16 ? 268 LEU A CG 1 ATOM 2090 C CD1 . LEU A 1 268 ? -24.995 10.361 10.640 1.00 26.45 ? 268 LEU A CD1 1 ATOM 2091 C CD2 . LEU A 1 268 ? -26.901 11.610 9.610 1.00 23.61 ? 268 LEU A CD2 1 ATOM 2092 N N . LEU A 1 269 ? -29.358 7.016 11.235 1.00 23.55 ? 269 LEU A N 1 ATOM 2093 C CA . LEU A 1 269 ? -29.944 5.674 10.966 1.00 22.49 ? 269 LEU A CA 1 ATOM 2094 C C . LEU A 1 269 ? -31.454 5.681 10.917 1.00 24.96 ? 269 LEU A C 1 ATOM 2095 O O . LEU A 1 269 ? -32.056 5.127 10.002 1.00 25.39 ? 269 LEU A O 1 ATOM 2096 C CB . LEU A 1 269 ? -29.408 4.649 11.991 1.00 23.38 ? 269 LEU A CB 1 ATOM 2097 C CG . LEU A 1 269 ? -27.901 4.326 11.882 1.00 22.31 ? 269 LEU A CG 1 ATOM 2098 C CD1 . LEU A 1 269 ? -27.502 3.323 12.946 1.00 23.45 ? 269 LEU A CD1 1 ATOM 2099 C CD2 . LEU A 1 269 ? -27.487 3.776 10.528 1.00 22.96 ? 269 LEU A CD2 1 ATOM 2100 N N . LEU A 1 270 ? -32.068 6.392 11.853 1.00 27.88 ? 270 LEU A N 1 ATOM 2101 C CA . LEU A 1 270 ? -33.508 6.603 11.830 1.00 31.79 ? 270 LEU A CA 1 ATOM 2102 C C . LEU A 1 270 ? -33.970 7.349 10.584 1.00 28.84 ? 270 LEU A C 1 ATOM 2103 O O . LEU A 1 270 ? -34.955 6.978 9.977 1.00 28.07 ? 270 LEU A O 1 ATOM 2104 C CB . LEU A 1 270 ? -33.957 7.386 13.064 1.00 36.00 ? 270 LEU A CB 1 ATOM 2105 C CG . LEU A 1 270 ? -35.487 7.451 13.223 1.00 39.31 ? 270 LEU A CG 1 ATOM 2106 C CD1 . LEU A 1 270 ? -35.973 6.275 14.053 1.00 40.35 ? 270 LEU A CD1 1 ATOM 2107 C CD2 . LEU A 1 270 ? -35.880 8.759 13.875 1.00 40.87 ? 270 LEU A CD2 1 ATOM 2108 N N . ARG A 1 271 ? -33.282 8.408 10.212 1.00 25.55 ? 271 ARG A N 1 ATOM 2109 C CA . ARG A 1 271 ? -33.654 9.151 8.966 1.00 25.68 ? 271 ARG A CA 1 ATOM 2110 C C . ARG A 1 271 ? -33.593 8.229 7.765 1.00 25.58 ? 271 ARG A C 1 ATOM 2111 O O . ARG A 1 271 ? -34.405 8.342 6.849 1.00 23.59 ? 271 ARG A O 1 ATOM 2112 C CB . ARG A 1 271 ? -32.744 10.335 8.707 1.00 23.14 ? 271 ARG A CB 1 ATOM 2113 C CG . ARG A 1 271 ? -33.072 11.468 9.633 1.00 25.29 ? 271 ARG A CG 1 ATOM 2114 C CD . ARG A 1 271 ? -32.106 12.633 9.532 1.00 25.98 ? 271 ARG A CD 1 ATOM 2115 N NE . ARG A 1 271 ? -32.261 13.574 10.632 1.00 21.76 ? 271 ARG A NE 1 ATOM 2116 C CZ . ARG A 1 271 ? -31.507 14.644 10.856 1.00 23.24 ? 271 ARG A CZ 1 ATOM 2117 N NH1 . ARG A 1 271 ? -30.504 14.998 10.049 1.00 26.03 ? 271 ARG A NH1 1 ATOM 2118 N NH2 . ARG A 1 271 ? -31.788 15.411 11.917 1.00 24.43 ? 271 ARG A NH2 1 ATOM 2119 N N . GLU A 1 272 ? -32.605 7.342 7.762 1.00 26.76 ? 272 GLU A N 1 ATOM 2120 C CA . GLU A 1 272 ? -32.333 6.513 6.606 1.00 28.33 ? 272 GLU A CA 1 ATOM 2121 C C . GLU A 1 272 ? -33.454 5.509 6.400 1.00 27.94 ? 272 GLU A C 1 ATOM 2122 O O . GLU A 1 272 ? -33.871 5.270 5.266 1.00 26.75 ? 272 GLU A O 1 ATOM 2123 C CB . GLU A 1 272 ? -31.007 5.780 6.764 1.00 30.78 ? 272 GLU A CB 1 ATOM 2124 C CG . GLU A 1 272 ? -30.642 4.811 5.635 1.00 31.56 ? 272 GLU A CG 1 ATOM 2125 C CD . GLU A 1 272 ? -30.660 5.422 4.231 1.00 32.09 ? 272 GLU A CD 1 ATOM 2126 O OE1 . GLU A 1 272 ? -30.508 6.648 4.001 1.00 30.80 ? 272 GLU A OE1 1 ATOM 2127 O OE2 . GLU A 1 272 ? -30.794 4.641 3.307 1.00 35.30 ? 272 GLU A OE2 1 ATOM 2128 N N . HIS A 1 273 ? -33.893 4.900 7.507 1.00 26.34 ? 273 HIS A N 1 ATOM 2129 C CA . HIS A 1 273 ? -35.106 4.150 7.516 1.00 28.05 ? 273 HIS A CA 1 ATOM 2130 C C . HIS A 1 273 ? -36.267 4.857 6.834 1.00 27.81 ? 273 HIS A C 1 ATOM 2131 O O . HIS A 1 273 ? -36.875 4.296 5.965 1.00 27.35 ? 273 HIS A O 1 ATOM 2132 C CB . HIS A 1 273 ? -35.588 3.781 8.901 1.00 28.59 ? 273 HIS A CB 1 ATOM 2133 C CG . HIS A 1 273 ? -36.806 2.913 8.857 1.00 27.93 ? 273 HIS A CG 1 ATOM 2134 N ND1 . HIS A 1 273 ? -36.737 1.541 8.795 1.00 30.80 ? 273 HIS A ND1 1 ATOM 2135 C CD2 . HIS A 1 273 ? -38.112 3.221 8.752 1.00 28.38 ? 273 HIS A CD2 1 ATOM 2136 C CE1 . HIS A 1 273 ? -37.955 1.035 8.749 1.00 29.42 ? 273 HIS A CE1 1 ATOM 2137 N NE2 . HIS A 1 273 ? -38.807 2.038 8.746 1.00 30.93 ? 273 HIS A NE2 1 ATOM 2138 N N . ASN A 1 274 ? -36.580 6.059 7.281 1.00 25.75 ? 274 ASN A N 1 ATOM 2139 C CA . ASN A 1 274 ? -37.761 6.748 6.786 1.00 25.84 ? 274 ASN A CA 1 ATOM 2140 C C . ASN A 1 274 ? -37.595 7.122 5.336 1.00 26.16 ? 274 ASN A C 1 ATOM 2141 O O . ASN A 1 274 ? -38.540 6.984 4.548 1.00 31.55 ? 274 ASN A O 1 ATOM 2142 C CB . ASN A 1 274 ? -38.099 7.921 7.675 1.00 25.96 ? 274 ASN A CB 1 ATOM 2143 C CG . ASN A 1 274 ? -38.720 7.484 8.994 1.00 27.41 ? 274 ASN A CG 1 ATOM 2144 O OD1 . ASN A 1 274 ? -38.886 6.299 9.278 1.00 25.25 ? 274 ASN A OD1 1 ATOM 2145 N ND2 . ASN A 1 274 ? -39.103 8.467 9.798 1.00 28.48 ? 274 ASN A ND2 1 ATOM 2146 N N . ARG A 1 275 ? -36.375 7.468 4.952 1.00 27.26 ? 275 ARG A N 1 ATOM 2147 C CA . ARG A 1 275 ? -36.018 7.670 3.556 1.00 28.00 ? 275 ARG A CA 1 ATOM 2148 C C . ARG A 1 275 ? -36.307 6.440 2.747 1.00 28.12 ? 275 ARG A C 1 ATOM 2149 O O . ARG A 1 275 ? -36.933 6.535 1.696 1.00 27.23 ? 275 ARG A O 1 ATOM 2150 C CB . ARG A 1 275 ? -34.530 8.004 3.360 1.00 29.27 ? 275 ARG A CB 1 ATOM 2151 C CG . ARG A 1 275 ? -34.239 8.686 2.034 1.00 32.76 ? 275 ARG A CG 1 ATOM 2152 C CD . ARG A 1 275 ? -32.762 8.811 1.736 1.00 35.56 ? 275 ARG A CD 1 ATOM 2153 N NE . ARG A 1 275 ? -32.127 7.476 1.700 1.00 42.67 ? 275 ARG A NE 1 ATOM 2154 C CZ . ARG A 1 275 ? -31.960 6.677 0.625 1.00 43.60 ? 275 ARG A CZ 1 ATOM 2155 N NH1 . ARG A 1 275 ? -32.363 7.025 -0.607 1.00 47.85 ? 275 ARG A NH1 1 ATOM 2156 N NH2 . ARG A 1 275 ? -31.357 5.509 0.775 1.00 39.05 ? 275 ARG A NH2 1 ATOM 2157 N N . LEU A 1 276 ? -35.804 5.294 3.207 1.00 29.68 ? 276 LEU A N 1 ATOM 2158 C CA . LEU A 1 276 ? -35.911 4.071 2.434 1.00 27.46 ? 276 LEU A CA 1 ATOM 2159 C C . LEU A 1 276 ? -37.368 3.730 2.225 1.00 30.17 ? 276 LEU A C 1 ATOM 2160 O O . LEU A 1 276 ? -37.752 3.369 1.116 1.00 29.47 ? 276 LEU A O 1 ATOM 2161 C CB . LEU A 1 276 ? -35.222 2.909 3.124 1.00 26.66 ? 276 LEU A CB 1 ATOM 2162 C CG . LEU A 1 276 ? -33.727 2.963 3.018 1.00 29.24 ? 276 LEU A CG 1 ATOM 2163 C CD1 . LEU A 1 276 ? -33.160 1.975 4.034 1.00 30.39 ? 276 LEU A CD1 1 ATOM 2164 C CD2 . LEU A 1 276 ? -33.261 2.652 1.597 1.00 32.60 ? 276 LEU A CD2 1 ATOM 2165 N N . ALA A 1 277 ? -38.156 3.850 3.299 1.00 28.78 ? 277 ALA A N 1 ATOM 2166 C CA . ALA A 1 277 ? -39.565 3.496 3.292 1.00 28.18 ? 277 ALA A CA 1 ATOM 2167 C C . ALA A 1 277 ? -40.397 4.343 2.285 1.00 33.19 ? 277 ALA A C 1 ATOM 2168 O O . ALA A 1 277 ? -41.193 3.800 1.495 1.00 32.67 ? 277 ALA A O 1 ATOM 2169 C CB . ALA A 1 277 ? -40.130 3.644 4.710 1.00 28.05 ? 277 ALA A CB 1 ATOM 2170 N N . ARG A 1 278 ? -40.203 5.663 2.337 1.00 34.59 ? 278 ARG A N 1 ATOM 2171 C CA . ARG A 1 278 ? -40.896 6.568 1.473 1.00 36.97 ? 278 ARG A CA 1 ATOM 2172 C C . ARG A 1 278 ? -40.567 6.259 0.029 1.00 40.88 ? 278 ARG A C 1 ATOM 2173 O O . ARG A 1 278 ? -41.454 6.219 -0.852 1.00 38.20 ? 278 ARG A O 1 ATOM 2174 C CB . ARG A 1 278 ? -40.495 8.020 1.773 1.00 39.42 ? 278 ARG A CB 1 ATOM 2175 C CG . ARG A 1 278 ? -41.087 8.621 3.037 1.00 43.39 ? 278 ARG A CG 1 ATOM 2176 C CD . ARG A 1 278 ? -40.582 10.071 3.174 1.00 47.96 ? 278 ARG A CD 1 ATOM 2177 N NE . ARG A 1 278 ? -40.332 10.454 4.559 1.00 53.29 ? 278 ARG A NE 1 ATOM 2178 C CZ . ARG A 1 278 ? -41.266 10.809 5.441 1.00 59.67 ? 278 ARG A CZ 1 ATOM 2179 N NH1 . ARG A 1 278 ? -42.555 10.833 5.097 1.00 63.79 ? 278 ARG A NH1 1 ATOM 2180 N NH2 . ARG A 1 278 ? -40.911 11.138 6.689 1.00 61.74 ? 278 ARG A NH2 1 ATOM 2181 N N . GLU A 1 279 ? -39.269 6.096 -0.218 1.00 41.93 ? 279 GLU A N 1 ATOM 2182 C CA . GLU A 1 279 ? -38.779 5.763 -1.531 1.00 43.34 ? 279 GLU A CA 1 ATOM 2183 C C . GLU A 1 279 ? -39.403 4.434 -1.976 1.00 44.88 ? 279 GLU A C 1 ATOM 2184 O O . GLU A 1 279 ? -39.781 4.279 -3.148 1.00 45.97 ? 279 GLU A O 1 ATOM 2185 C CB . GLU A 1 279 ? -37.245 5.716 -1.515 1.00 44.58 ? 279 GLU A CB 1 ATOM 2186 C CG . GLU A 1 279 ? -36.573 5.738 -2.876 1.00 51.94 ? 279 GLU A CG 1 ATOM 2187 C CD . GLU A 1 279 ? -36.914 6.970 -3.715 1.00 57.66 ? 279 GLU A CD 1 ATOM 2188 O OE1 . GLU A 1 279 ? -36.868 8.106 -3.172 1.00 59.35 ? 279 GLU A OE1 1 ATOM 2189 O OE2 . GLU A 1 279 ? -37.233 6.796 -4.923 1.00 68.32 ? 279 GLU A OE2 1 ATOM 2190 N N . LEU A 1 280 ? -39.533 3.479 -1.054 1.00 38.78 ? 280 LEU A N 1 ATOM 2191 C CA . LEU A 1 280 ? -40.067 2.193 -1.435 1.00 39.59 ? 280 LEU A CA 1 ATOM 2192 C C . LEU A 1 280 ? -41.588 2.314 -1.719 1.00 44.75 ? 280 LEU A C 1 ATOM 2193 O O . LEU A 1 280 ? -42.105 1.600 -2.585 1.00 40.12 ? 280 LEU A O 1 ATOM 2194 C CB . LEU A 1 280 ? -39.714 1.083 -0.446 1.00 38.03 ? 280 LEU A CB 1 ATOM 2195 C CG . LEU A 1 280 ? -38.248 0.581 -0.340 1.00 39.71 ? 280 LEU A CG 1 ATOM 2196 C CD1 . LEU A 1 280 ? -37.994 -0.212 0.951 1.00 38.23 ? 280 LEU A CD1 1 ATOM 2197 C CD2 . LEU A 1 280 ? -37.847 -0.301 -1.506 1.00 39.38 ? 280 LEU A CD2 1 ATOM 2198 N N . LYS A 1 281 ? -42.285 3.237 -1.054 1.00 46.05 ? 281 LYS A N 1 ATOM 2199 C CA . LYS A 1 281 ? -43.716 3.479 -1.346 1.00 47.82 ? 281 LYS A CA 1 ATOM 2200 C C . LYS A 1 281 ? -43.873 4.014 -2.790 1.00 45.88 ? 281 LYS A C 1 ATOM 2201 O O . LYS A 1 281 ? -44.629 3.473 -3.570 1.00 45.71 ? 281 LYS A O 1 ATOM 2202 C CB . LYS A 1 281 ? -44.333 4.464 -0.335 1.00 48.62 ? 281 LYS A CB 1 ATOM 2203 C CG . LYS A 1 281 ? -45.832 4.313 0.008 1.00 52.25 ? 281 LYS A CG 1 ATOM 2204 C CD . LYS A 1 281 ? -46.669 3.496 -0.939 1.00 51.70 ? 281 LYS A CD 1 ATOM 2205 C CE . LYS A 1 281 ? -48.124 3.336 -0.522 1.00 52.68 ? 281 LYS A CE 1 ATOM 2206 N NZ . LYS A 1 281 ? -48.873 4.552 -0.150 1.00 56.22 ? 281 LYS A NZ 1 ATOM 2207 N N . LYS A 1 282 ? -43.106 5.042 -3.138 1.00 46.36 ? 282 LYS A N 1 ATOM 2208 C CA . LYS A 1 282 ? -43.056 5.571 -4.497 1.00 48.73 ? 282 LYS A CA 1 ATOM 2209 C C . LYS A 1 282 ? -42.830 4.471 -5.511 1.00 52.27 ? 282 LYS A C 1 ATOM 2210 O O . LYS A 1 282 ? -43.509 4.432 -6.533 1.00 52.07 ? 282 LYS A O 1 ATOM 2211 C CB . LYS A 1 282 ? -41.971 6.612 -4.671 1.00 51.36 ? 282 LYS A CB 1 ATOM 2212 C CG . LYS A 1 282 ? -42.174 7.882 -3.863 1.00 56.07 ? 282 LYS A CG 1 ATOM 2213 C CD . LYS A 1 282 ? -41.259 8.981 -4.380 1.00 60.91 ? 282 LYS A CD 1 ATOM 2214 C CE . LYS A 1 282 ? -41.865 9.704 -5.583 1.00 63.91 ? 282 LYS A CE 1 ATOM 2215 N NZ . LYS A 1 282 ? -40.850 9.944 -6.653 1.00 67.40 ? 282 LYS A NZ 1 ATOM 2216 N N . LEU A 1 283 ? -41.926 3.551 -5.221 1.00 45.48 ? 283 LEU A N 1 ATOM 2217 C CA . LEU A 1 283 ? -41.691 2.466 -6.145 1.00 43.96 ? 283 LEU A CA 1 ATOM 2218 C C . LEU A 1 283 ? -42.763 1.379 -6.094 1.00 46.51 ? 283 LEU A C 1 ATOM 2219 O O . LEU A 1 283 ? -42.927 0.656 -7.047 1.00 48.98 ? 283 LEU A O 1 ATOM 2220 C CB . LEU A 1 283 ? -40.313 1.877 -5.912 1.00 52.37 ? 283 LEU A CB 1 ATOM 2221 C CG . LEU A 1 283 ? -39.510 1.331 -7.090 1.00 56.61 ? 283 LEU A CG 1 ATOM 2222 C CD1 . LEU A 1 283 ? -39.126 2.395 -8.099 1.00 55.12 ? 283 LEU A CD1 1 ATOM 2223 C CD2 . LEU A 1 283 ? -38.254 0.726 -6.488 1.00 65.90 ? 283 LEU A CD2 1 ATOM 2224 N N . ASN A 1 284 ? -43.513 1.250 -5.008 1.00 42.51 ? 284 ASN A N 1 ATOM 2225 C CA . ASN A 1 284 ? -44.391 0.121 -4.850 1.00 44.30 ? 284 ASN A CA 1 ATOM 2226 C C . ASN A 1 284 ? -45.588 0.615 -4.093 1.00 45.83 ? 284 ASN A C 1 ATOM 2227 O O . ASN A 1 284 ? -45.765 0.284 -2.907 1.00 40.11 ? 284 ASN A O 1 ATOM 2228 C CB . ASN A 1 284 ? -43.706 -1.043 -4.109 1.00 49.60 ? 284 ASN A CB 1 ATOM 2229 C CG . ASN A 1 284 ? -42.547 -1.651 -4.894 1.00 51.64 ? 284 ASN A CG 1 ATOM 2230 O OD1 . ASN A 1 284 ? -42.664 -1.891 -6.093 1.00 55.76 ? 284 ASN A OD1 1 ATOM 2231 N ND2 . ASN A 1 284 ? -41.420 -1.919 -4.209 1.00 51.84 ? 284 ASN A ND2 1 ATOM 2232 N N . PRO A 1 285 ? -46.446 1.408 -4.777 1.00 48.33 ? 285 PRO A N 1 ATOM 2233 C CA . PRO A 1 285 ? -47.586 2.012 -4.059 1.00 47.05 ? 285 PRO A CA 1 ATOM 2234 C C . PRO A 1 285 ? -48.541 1.011 -3.421 1.00 43.64 ? 285 PRO A C 1 ATOM 2235 O O . PRO A 1 285 ? -49.229 1.347 -2.474 1.00 43.54 ? 285 PRO A O 1 ATOM 2236 C CB . PRO A 1 285 ? -48.282 2.832 -5.149 1.00 48.73 ? 285 PRO A CB 1 ATOM 2237 C CG . PRO A 1 285 ? -47.232 3.076 -6.184 1.00 45.84 ? 285 PRO A CG 1 ATOM 2238 C CD . PRO A 1 285 ? -46.405 1.844 -6.194 1.00 46.57 ? 285 PRO A CD 1 ATOM 2239 N N . HIS A 1 286 ? -48.525 -0.221 -3.932 1.00 42.45 ? 286 HIS A N 1 ATOM 2240 C CA . HIS A 1 286 ? -49.362 -1.345 -3.499 1.00 43.88 ? 286 HIS A CA 1 ATOM 2241 C C . HIS A 1 286 ? -48.924 -2.005 -2.190 1.00 44.80 ? 286 HIS A C 1 ATOM 2242 O O . HIS A 1 286 ? -49.726 -2.719 -1.588 1.00 46.13 ? 286 HIS A O 1 ATOM 2243 C CB . HIS A 1 286 ? -49.431 -2.417 -4.614 1.00 48.15 ? 286 HIS A CB 1 ATOM 2244 C CG . HIS A 1 286 ? -48.097 -2.729 -5.253 1.00 52.59 ? 286 HIS A CG 1 ATOM 2245 N ND1 . HIS A 1 286 ? -47.417 -1.839 -6.066 1.00 54.07 ? 286 HIS A ND1 1 ATOM 2246 C CD2 . HIS A 1 286 ? -47.316 -3.828 -5.182 1.00 55.36 ? 286 HIS A CD2 1 ATOM 2247 C CE1 . HIS A 1 286 ? -46.288 -2.382 -6.473 1.00 55.59 ? 286 HIS A CE1 1 ATOM 2248 N NE2 . HIS A 1 286 ? -46.200 -3.589 -5.952 1.00 53.93 ? 286 HIS A NE2 1 ATOM 2249 N N . TRP A 1 287 ? -47.674 -1.789 -1.743 1.00 45.49 ? 287 TRP A N 1 ATOM 2250 C CA . TRP A 1 287 ? -47.202 -2.339 -0.442 1.00 46.41 ? 287 TRP A CA 1 ATOM 2251 C C . TRP A 1 287 ? -47.911 -1.691 0.738 1.00 40.35 ? 287 TRP A C 1 ATOM 2252 O O . TRP A 1 287 ? -48.105 -0.476 0.720 1.00 42.18 ? 287 TRP A O 1 ATOM 2253 C CB . TRP A 1 287 ? -45.675 -2.186 -0.309 1.00 48.93 ? 287 TRP A CB 1 ATOM 2254 C CG . TRP A 1 287 ? -44.878 -3.197 -1.165 1.00 53.51 ? 287 TRP A CG 1 ATOM 2255 C CD1 . TRP A 1 287 ? -45.392 -4.202 -1.952 1.00 54.71 ? 287 TRP A CD1 1 ATOM 2256 C CD2 . TRP A 1 287 ? -43.443 -3.342 -1.241 1.00 52.74 ? 287 TRP A CD2 1 ATOM 2257 N NE1 . TRP A 1 287 ? -44.379 -4.941 -2.517 1.00 53.54 ? 287 TRP A NE1 1 ATOM 2258 C CE2 . TRP A 1 287 ? -43.178 -4.435 -2.108 1.00 51.81 ? 287 TRP A CE2 1 ATOM 2259 C CE3 . TRP A 1 287 ? -42.359 -2.662 -0.653 1.00 48.62 ? 287 TRP A CE3 1 ATOM 2260 C CZ2 . TRP A 1 287 ? -41.890 -4.844 -2.424 1.00 53.12 ? 287 TRP A CZ2 1 ATOM 2261 C CZ3 . TRP A 1 287 ? -41.067 -3.060 -0.977 1.00 44.44 ? 287 TRP A CZ3 1 ATOM 2262 C CH2 . TRP A 1 287 ? -40.843 -4.142 -1.856 1.00 53.75 ? 287 TRP A CH2 1 ATOM 2263 N N . ASN A 1 288 ? -48.335 -2.493 1.727 1.00 38.59 ? 288 ASN A N 1 ATOM 2264 C CA . ASN A 1 288 ? -48.807 -1.962 3.030 1.00 38.67 ? 288 ASN A CA 1 ATOM 2265 C C . ASN A 1 288 ? -47.632 -1.543 3.938 1.00 40.51 ? 288 ASN A C 1 ATOM 2266 O O . ASN A 1 288 ? -46.477 -1.834 3.644 1.00 41.28 ? 288 ASN A O 1 ATOM 2267 C CB . ASN A 1 288 ? -49.721 -2.965 3.766 1.00 39.60 ? 288 ASN A CB 1 ATOM 2268 C CG . ASN A 1 288 ? -48.958 -4.092 4.480 1.00 48.27 ? 288 ASN A CG 1 ATOM 2269 O OD1 . ASN A 1 288 ? -48.008 -4.641 3.982 1.00 47.55 ? 288 ASN A OD1 1 ATOM 2270 N ND2 . ASN A 1 288 ? -49.422 -4.460 5.655 1.00 64.73 ? 288 ASN A ND2 1 ATOM 2271 N N . GLY A 1 289 ? -47.958 -0.910 5.055 1.00 43.58 ? 289 GLY A N 1 ATOM 2272 C CA . GLY A 1 289 ? -46.989 -0.394 6.037 1.00 46.50 ? 289 GLY A CA 1 ATOM 2273 C C . GLY A 1 289 ? -46.033 -1.426 6.631 1.00 44.02 ? 289 GLY A C 1 ATOM 2274 O O . GLY A 1 289 ? -44.835 -1.175 6.766 1.00 44.31 ? 289 GLY A O 1 ATOM 2275 N N . GLU A 1 290 ? -46.573 -2.593 6.937 1.00 41.57 ? 290 GLU A N 1 ATOM 2276 C CA . GLU A 1 290 ? -45.804 -3.699 7.496 1.00 41.29 ? 290 GLU A CA 1 ATOM 2277 C C . GLU A 1 290 ? -44.672 -4.119 6.526 1.00 41.41 ? 290 GLU A C 1 ATOM 2278 O O . GLU A 1 290 ? -43.500 -4.148 6.903 1.00 31.99 ? 290 GLU A O 1 ATOM 2279 C CB . GLU A 1 290 ? -46.752 -4.864 7.779 1.00 40.51 ? 290 GLU A CB 1 ATOM 2280 C CG . GLU A 1 290 ? -46.144 -6.006 8.558 1.00 45.12 ? 290 GLU A CG 1 ATOM 2281 C CD . GLU A 1 290 ? -45.773 -5.568 9.951 1.00 53.06 ? 290 GLU A CD 1 ATOM 2282 O OE1 . GLU A 1 290 ? -46.637 -4.968 10.631 1.00 72.24 ? 290 GLU A OE1 1 ATOM 2283 O OE2 . GLU A 1 290 ? -44.640 -5.814 10.368 1.00 51.57 ? 290 GLU A OE2 1 ATOM 2284 N N . LYS A 1 291 ? -45.064 -4.421 5.279 1.00 37.61 ? 291 LYS A N 1 ATOM 2285 C CA . LYS A 1 291 ? -44.156 -4.688 4.170 1.00 37.94 ? 291 LYS A CA 1 ATOM 2286 C C . LYS A 1 291 ? -43.076 -3.599 4.005 1.00 31.96 ? 291 LYS A C 1 ATOM 2287 O O . LYS A 1 291 ? -41.888 -3.912 3.859 1.00 30.59 ? 291 LYS A O 1 ATOM 2288 C CB . LYS A 1 291 ? -44.966 -4.833 2.860 1.00 39.78 ? 291 LYS A CB 1 ATOM 2289 C CG . LYS A 1 291 ? -44.172 -5.197 1.614 1.00 41.92 ? 291 LYS A CG 1 ATOM 2290 C CD . LYS A 1 291 ? -43.469 -6.498 1.847 1.00 42.54 ? 291 LYS A CD 1 ATOM 2291 C CE . LYS A 1 291 ? -43.159 -7.213 0.528 1.00 48.84 ? 291 LYS A CE 1 ATOM 2292 N NZ . LYS A 1 291 ? -43.375 -8.684 0.728 1.00 51.32 ? 291 LYS A NZ 1 ATOM 2293 N N . LEU A 1 292 ? -43.511 -2.349 4.016 1.00 27.80 ? 292 LEU A N 1 ATOM 2294 C CA . LEU A 1 292 ? -42.636 -1.213 3.872 1.00 27.98 ? 292 LEU A CA 1 ATOM 2295 C C . LEU A 1 292 ? -41.631 -1.104 5.047 1.00 30.11 ? 292 LEU A C 1 ATOM 2296 O O . LEU A 1 292 ? -40.399 -0.945 4.832 1.00 29.30 ? 292 LEU A O 1 ATOM 2297 C CB . LEU A 1 292 ? -43.459 0.077 3.722 1.00 31.41 ? 292 LEU A CB 1 ATOM 2298 C CG . LEU A 1 292 ? -44.059 0.307 2.309 1.00 34.80 ? 292 LEU A CG 1 ATOM 2299 C CD1 . LEU A 1 292 ? -45.131 1.395 2.324 1.00 35.66 ? 292 LEU A CD1 1 ATOM 2300 C CD2 . LEU A 1 292 ? -42.984 0.723 1.304 1.00 35.23 ? 292 LEU A CD2 1 ATOM 2301 N N . TYR A 1 293 ? -42.157 -1.236 6.263 1.00 30.14 ? 293 TYR A N 1 ATOM 2302 C CA . TYR A 1 293 ? -41.353 -1.223 7.465 1.00 30.81 ? 293 TYR A CA 1 ATOM 2303 C C . TYR A 1 293 ? -40.284 -2.349 7.341 1.00 30.81 ? 293 TYR A C 1 ATOM 2304 O O . TYR A 1 293 ? -39.072 -2.107 7.504 1.00 29.92 ? 293 TYR A O 1 ATOM 2305 C CB . TYR A 1 293 ? -42.242 -1.358 8.737 1.00 27.25 ? 293 TYR A CB 1 ATOM 2306 C CG . TYR A 1 293 ? -41.449 -1.701 9.993 1.00 26.70 ? 293 TYR A CG 1 ATOM 2307 C CD1 . TYR A 1 293 ? -40.845 -0.719 10.772 1.00 27.85 ? 293 TYR A CD1 1 ATOM 2308 C CD2 . TYR A 1 293 ? -41.252 -3.027 10.357 1.00 26.07 ? 293 TYR A CD2 1 ATOM 2309 C CE1 . TYR A 1 293 ? -40.081 -1.070 11.888 1.00 25.46 ? 293 TYR A CE1 1 ATOM 2310 C CE2 . TYR A 1 293 ? -40.537 -3.389 11.464 1.00 25.59 ? 293 TYR A CE2 1 ATOM 2311 C CZ . TYR A 1 293 ? -39.955 -2.413 12.234 1.00 27.93 ? 293 TYR A CZ 1 ATOM 2312 O OH . TYR A 1 293 ? -39.261 -2.867 13.350 1.00 26.83 ? 293 TYR A OH 1 ATOM 2313 N N . GLN A 1 294 ? -40.735 -3.564 7.043 1.00 27.91 ? 294 GLN A N 1 ATOM 2314 C CA . GLN A 1 294 ? -39.846 -4.703 7.075 1.00 30.15 ? 294 GLN A CA 1 ATOM 2315 C C . GLN A 1 294 ? -38.745 -4.678 5.985 1.00 29.85 ? 294 GLN A C 1 ATOM 2316 O O . GLN A 1 294 ? -37.678 -5.137 6.243 1.00 30.20 ? 294 GLN A O 1 ATOM 2317 C CB . GLN A 1 294 ? -40.584 -6.043 6.981 1.00 31.50 ? 294 GLN A CB 1 ATOM 2318 C CG . GLN A 1 294 ? -41.540 -6.352 8.105 1.00 33.36 ? 294 GLN A CG 1 ATOM 2319 C CD . GLN A 1 294 ? -40.883 -6.662 9.439 1.00 34.97 ? 294 GLN A CD 1 ATOM 2320 O OE1 . GLN A 1 294 ? -39.654 -6.883 9.552 1.00 37.98 ? 294 GLN A OE1 1 ATOM 2321 N NE2 . GLN A 1 294 ? -41.719 -6.667 10.486 1.00 32.97 ? 294 GLN A NE2 1 ATOM 2322 N N . GLU A 1 295 ? -39.042 -4.170 4.803 1.00 29.28 ? 295 GLU A N 1 ATOM 2323 C CA . GLU A 1 295 ? -38.111 -4.108 3.695 1.00 29.25 ? 295 GLU A CA 1 ATOM 2324 C C . GLU A 1 295 ? -37.015 -3.025 3.913 1.00 27.63 ? 295 GLU A C 1 ATOM 2325 O O . GLU A 1 295 ? -35.867 -3.251 3.602 1.00 24.84 ? 295 GLU A O 1 ATOM 2326 C CB . GLU A 1 295 ? -38.878 -3.841 2.368 1.00 29.15 ? 295 GLU A CB 1 ATOM 2327 C CG . GLU A 1 295 ? -39.645 -5.057 1.840 1.00 32.11 ? 295 GLU A CG 1 ATOM 2328 C CD . GLU A 1 295 ? -38.742 -6.200 1.341 1.00 38.05 ? 295 GLU A CD 1 ATOM 2329 O OE1 . GLU A 1 295 ? -39.062 -7.414 1.536 1.00 41.04 ? 295 GLU A OE1 1 ATOM 2330 O OE2 . GLU A 1 295 ? -37.714 -5.888 0.699 1.00 41.22 ? 295 GLU A OE2 1 ATOM 2331 N N . ALA A 1 296 ? -37.403 -1.857 4.391 1.00 26.11 ? 296 ALA A N 1 ATOM 2332 C CA . ALA A 1 296 ? -36.467 -0.833 4.826 1.00 26.08 ? 296 ALA A CA 1 ATOM 2333 C C . ALA A 1 296 ? -35.545 -1.359 5.952 1.00 28.10 ? 296 ALA A C 1 ATOM 2334 O O . ALA A 1 296 ? -34.325 -1.243 5.867 1.00 29.77 ? 296 ALA A O 1 ATOM 2335 C CB . ALA A 1 296 ? -37.215 0.406 5.258 1.00 24.06 ? 296 ALA A CB 1 ATOM 2336 N N . ARG A 1 297 ? -36.129 -1.999 6.963 1.00 28.57 ? 297 ARG A N 1 ATOM 2337 C CA . ARG A 1 297 ? -35.393 -2.611 8.055 1.00 27.11 ? 297 ARG A CA 1 ATOM 2338 C C . ARG A 1 297 ? -34.316 -3.570 7.552 1.00 27.29 ? 297 ARG A C 1 ATOM 2339 O O . ARG A 1 297 ? -33.163 -3.542 8.032 1.00 25.48 ? 297 ARG A O 1 ATOM 2340 C CB . ARG A 1 297 ? -36.357 -3.263 9.059 1.00 26.03 ? 297 ARG A CB 1 ATOM 2341 C CG . ARG A 1 297 ? -35.766 -4.210 10.078 1.00 24.63 ? 297 ARG A CG 1 ATOM 2342 C CD . ARG A 1 297 ? -36.754 -4.436 11.248 1.00 24.94 ? 297 ARG A CD 1 ATOM 2343 N NE . ARG A 1 297 ? -36.179 -5.377 12.190 1.00 23.50 ? 297 ARG A NE 1 ATOM 2344 C CZ . ARG A 1 297 ? -36.448 -6.681 12.257 1.00 25.31 ? 297 ARG A CZ 1 ATOM 2345 N NH1 . ARG A 1 297 ? -37.408 -7.251 11.540 1.00 29.47 ? 297 ARG A NH1 1 ATOM 2346 N NH2 . ARG A 1 297 ? -35.792 -7.424 13.104 1.00 25.74 ? 297 ARG A NH2 1 ATOM 2347 N N . LYS A 1 298 ? -34.682 -4.370 6.570 1.00 24.16 ? 298 LYS A N 1 ATOM 2348 C CA . LYS A 1 298 ? -33.815 -5.345 5.988 1.00 25.12 ? 298 LYS A CA 1 ATOM 2349 C C . LYS A 1 298 ? -32.618 -4.671 5.233 1.00 25.87 ? 298 LYS A C 1 ATOM 2350 O O . LYS A 1 298 ? -31.474 -5.102 5.303 1.00 23.84 ? 298 LYS A O 1 ATOM 2351 C CB . LYS A 1 298 ? -34.660 -6.233 5.067 1.00 25.38 ? 298 LYS A CB 1 ATOM 2352 C CG . LYS A 1 298 ? -34.083 -7.538 4.729 1.00 28.08 ? 298 LYS A CG 1 ATOM 2353 C CD . LYS A 1 298 ? -35.070 -8.406 3.944 1.00 30.29 ? 298 LYS A CD 1 ATOM 2354 C CE . LYS A 1 298 ? -34.341 -9.370 3.042 1.00 30.68 ? 298 LYS A CE 1 ATOM 2355 N NZ . LYS A 1 298 ? -35.208 -10.514 2.603 1.00 32.74 ? 298 LYS A NZ 1 ATOM 2356 N N . ILE A 1 299 ? -32.896 -3.611 4.496 1.00 22.87 ? 299 ILE A N 1 ATOM 2357 C CA . ILE A 1 299 ? -31.827 -2.872 3.839 1.00 26.39 ? 299 ILE A CA 1 ATOM 2358 C C . ILE A 1 299 ? -30.841 -2.196 4.837 1.00 25.49 ? 299 ILE A C 1 ATOM 2359 O O . ILE A 1 299 ? -29.627 -2.208 4.638 1.00 29.94 ? 299 ILE A O 1 ATOM 2360 C CB . ILE A 1 299 ? -32.441 -1.796 2.902 1.00 25.71 ? 299 ILE A CB 1 ATOM 2361 C CG1 . ILE A 1 299 ? -33.162 -2.492 1.719 1.00 28.99 ? 299 ILE A CG1 1 ATOM 2362 C CG2 . ILE A 1 299 ? -31.394 -0.837 2.342 1.00 25.28 ? 299 ILE A CG2 1 ATOM 2363 C CD1 . ILE A 1 299 ? -34.063 -1.545 0.923 1.00 31.01 ? 299 ILE A CD1 1 ATOM 2364 N N . LEU A 1 300 ? -31.379 -1.586 5.889 1.00 27.98 ? 300 LEU A N 1 ATOM 2365 C CA . LEU A 1 300 ? -30.595 -0.873 6.890 1.00 25.87 ? 300 LEU A CA 1 ATOM 2366 C C . LEU A 1 300 ? -29.728 -1.849 7.663 1.00 23.56 ? 300 LEU A C 1 ATOM 2367 O O . LEU A 1 300 ? -28.587 -1.544 8.111 1.00 25.49 ? 300 LEU A O 1 ATOM 2368 C CB . LEU A 1 300 ? -31.553 -0.063 7.799 1.00 27.30 ? 300 LEU A CB 1 ATOM 2369 C CG . LEU A 1 300 ? -30.823 0.917 8.732 1.00 28.81 ? 300 LEU A CG 1 ATOM 2370 C CD1 . LEU A 1 300 ? -29.950 1.910 7.958 1.00 30.17 ? 300 LEU A CD1 1 ATOM 2371 C CD2 . LEU A 1 300 ? -31.747 1.611 9.698 1.00 27.39 ? 300 LEU A CD2 1 ATOM 2372 N N . GLY A 1 301 ? -30.264 -3.038 7.861 1.00 23.45 ? 301 GLY A N 1 ATOM 2373 C CA . GLY A 1 301 ? -29.484 -4.115 8.440 1.00 22.01 ? 301 GLY A CA 1 ATOM 2374 C C . GLY A 1 301 ? -28.318 -4.476 7.520 1.00 21.97 ? 301 GLY A C 1 ATOM 2375 O O . GLY A 1 301 ? -27.226 -4.713 7.976 1.00 21.12 ? 301 GLY A O 1 ATOM 2376 N N . ALA A 1 302 ? -28.564 -4.540 6.220 1.00 21.47 ? 302 ALA A N 1 ATOM 2377 C CA . ALA A 1 302 ? -27.499 -4.810 5.246 1.00 22.49 ? 302 ALA A CA 1 ATOM 2378 C C . ALA A 1 302 ? -26.442 -3.750 5.297 1.00 21.37 ? 302 ALA A C 1 ATOM 2379 O O . ALA A 1 302 ? -25.258 -4.058 5.343 1.00 25.05 ? 302 ALA A O 1 ATOM 2380 C CB . ALA A 1 302 ? -28.056 -4.888 3.820 1.00 22.36 ? 302 ALA A CB 1 ATOM 2381 N N . PHE A 1 303 ? -26.890 -2.503 5.317 1.00 21.16 ? 303 PHE A N 1 ATOM 2382 C CA . PHE A 1 303 ? -26.026 -1.372 5.490 1.00 21.91 ? 303 PHE A CA 1 ATOM 2383 C C . PHE A 1 303 ? -25.068 -1.535 6.671 1.00 20.48 ? 303 PHE A C 1 ATOM 2384 O O . PHE A 1 303 ? -23.842 -1.469 6.528 1.00 17.81 ? 303 PHE A O 1 ATOM 2385 C CB . PHE A 1 303 ? -26.831 -0.054 5.553 1.00 23.52 ? 303 PHE A CB 1 ATOM 2386 C CG . PHE A 1 303 ? -25.979 1.154 5.785 1.00 29.26 ? 303 PHE A CG 1 ATOM 2387 C CD1 . PHE A 1 303 ? -25.387 1.818 4.741 1.00 33.02 ? 303 PHE A CD1 1 ATOM 2388 C CD2 . PHE A 1 303 ? -25.689 1.599 7.100 1.00 33.03 ? 303 PHE A CD2 1 ATOM 2389 C CE1 . PHE A 1 303 ? -24.577 2.939 4.959 1.00 31.11 ? 303 PHE A CE1 1 ATOM 2390 C CE2 . PHE A 1 303 ? -24.871 2.690 7.318 1.00 29.18 ? 303 PHE A CE2 1 ATOM 2391 C CZ . PHE A 1 303 ? -24.316 3.369 6.247 1.00 31.50 ? 303 PHE A CZ 1 ATOM 2392 N N . ILE A 1 304 ? -25.621 -1.839 7.811 1.00 18.98 ? 304 ILE A N 1 ATOM 2393 C CA . ILE A 1 304 ? -24.779 -1.951 8.961 1.00 21.56 ? 304 ILE A CA 1 ATOM 2394 C C . ILE A 1 304 ? -23.763 -3.073 8.789 1.00 21.82 ? 304 ILE A C 1 ATOM 2395 O O . ILE A 1 304 ? -22.610 -2.913 9.141 1.00 19.92 ? 304 ILE A O 1 ATOM 2396 C CB . ILE A 1 304 ? -25.651 -2.131 10.215 1.00 24.81 ? 304 ILE A CB 1 ATOM 2397 C CG1 . ILE A 1 304 ? -26.348 -0.820 10.451 1.00 27.53 ? 304 ILE A CG1 1 ATOM 2398 C CG2 . ILE A 1 304 ? -24.844 -2.645 11.406 1.00 23.95 ? 304 ILE A CG2 1 ATOM 2399 C CD1 . ILE A 1 304 ? -27.473 -0.945 11.420 1.00 35.47 ? 304 ILE A CD1 1 ATOM 2400 N N . GLN A 1 305 ? -24.206 -4.214 8.240 1.00 24.00 ? 305 GLN A N 1 ATOM 2401 C CA . GLN A 1 305 ? -23.333 -5.343 7.990 1.00 24.06 ? 305 GLN A CA 1 ATOM 2402 C C . GLN A 1 305 ? -22.195 -5.026 6.978 1.00 24.15 ? 305 GLN A C 1 ATOM 2403 O O . GLN A 1 305 ? -21.001 -5.375 7.195 1.00 27.27 ? 305 GLN A O 1 ATOM 2404 C CB . GLN A 1 305 ? -24.187 -6.527 7.447 1.00 25.35 ? 305 GLN A CB 1 ATOM 2405 C CG . GLN A 1 305 ? -25.098 -7.160 8.491 1.00 24.55 ? 305 GLN A CG 1 ATOM 2406 C CD . GLN A 1 305 ? -25.856 -8.388 7.966 1.00 25.61 ? 305 GLN A CD 1 ATOM 2407 O OE1 . GLN A 1 305 ? -25.991 -8.589 6.757 1.00 22.64 ? 305 GLN A OE1 1 ATOM 2408 N NE2 . GLN A 1 305 ? -26.321 -9.219 8.882 1.00 27.22 ? 305 GLN A NE2 1 ATOM 2409 N N . ILE A 1 306 ? -22.567 -4.364 5.887 1.00 23.04 ? 306 ILE A N 1 ATOM 2410 C CA . ILE A 1 306 ? -21.630 -4.086 4.799 1.00 22.97 ? 306 ILE A CA 1 ATOM 2411 C C . ILE A 1 306 ? -20.590 -3.055 5.284 1.00 24.89 ? 306 ILE A C 1 ATOM 2412 O O . ILE A 1 306 ? -19.375 -3.264 5.185 1.00 26.31 ? 306 ILE A O 1 ATOM 2413 C CB . ILE A 1 306 ? -22.384 -3.582 3.534 1.00 23.60 ? 306 ILE A CB 1 ATOM 2414 C CG1 . ILE A 1 306 ? -23.225 -4.713 2.942 1.00 23.81 ? 306 ILE A CG1 1 ATOM 2415 C CG2 . ILE A 1 306 ? -21.394 -3.014 2.482 1.00 24.64 ? 306 ILE A CG2 1 ATOM 2416 C CD1 . ILE A 1 306 ? -24.272 -4.253 1.948 1.00 25.28 ? 306 ILE A CD1 1 ATOM 2417 N N . ILE A 1 307 ? -21.031 -1.949 5.840 1.00 24.27 ? 307 ILE A N 1 ATOM 2418 C CA . ILE A 1 307 ? -20.022 -0.991 6.341 1.00 23.57 ? 307 ILE A CA 1 ATOM 2419 C C . ILE A 1 307 ? -19.064 -1.604 7.331 1.00 23.58 ? 307 ILE A C 1 ATOM 2420 O O . ILE A 1 307 ? -17.849 -1.396 7.236 1.00 20.90 ? 307 ILE A O 1 ATOM 2421 C CB . ILE A 1 307 ? -20.666 0.289 6.833 1.00 27.04 ? 307 ILE A CB 1 ATOM 2422 C CG1 . ILE A 1 307 ? -20.923 1.075 5.567 1.00 32.06 ? 307 ILE A CG1 1 ATOM 2423 C CG2 . ILE A 1 307 ? -19.718 1.150 7.695 1.00 25.41 ? 307 ILE A CG2 1 ATOM 2424 C CD1 . ILE A 1 307 ? -22.273 1.534 5.541 1.00 39.06 ? 307 ILE A CD1 1 ATOM 2425 N N . THR A 1 308 ? -19.610 -2.417 8.223 1.00 23.19 ? 308 THR A N 1 ATOM 2426 C CA . THR A 1 308 ? -18.791 -3.027 9.275 1.00 22.24 ? 308 THR A CA 1 ATOM 2427 C C . THR A 1 308 ? -17.749 -3.982 8.709 1.00 22.36 ? 308 THR A C 1 ATOM 2428 O O . THR A 1 308 ? -16.578 -3.907 9.083 1.00 24.19 ? 308 THR A O 1 ATOM 2429 C CB . THR A 1 308 ? -19.675 -3.739 10.341 1.00 21.08 ? 308 THR A CB 1 ATOM 2430 O OG1 . THR A 1 308 ? -20.567 -2.796 10.934 1.00 23.33 ? 308 THR A OG1 1 ATOM 2431 C CG2 . THR A 1 308 ? -18.864 -4.407 11.450 1.00 20.82 ? 308 THR A CG2 1 ATOM 2432 N N . PHE A 1 309 ? -18.179 -4.935 7.869 1.00 24.54 ? 309 PHE A N 1 ATOM 2433 C CA . PHE A 1 309 ? -17.255 -5.947 7.365 1.00 24.54 ? 309 PHE A CA 1 ATOM 2434 C C . PHE A 1 309 ? -16.329 -5.448 6.213 1.00 27.75 ? 309 PHE A C 1 ATOM 2435 O O . PHE A 1 309 ? -15.170 -5.900 6.117 1.00 21.87 ? 309 PHE A O 1 ATOM 2436 C CB . PHE A 1 309 ? -17.990 -7.235 6.994 1.00 25.86 ? 309 PHE A CB 1 ATOM 2437 C CG . PHE A 1 309 ? -18.243 -8.108 8.174 1.00 27.08 ? 309 PHE A CG 1 ATOM 2438 C CD1 . PHE A 1 309 ? -19.145 -7.728 9.148 1.00 27.43 ? 309 PHE A CD1 1 ATOM 2439 C CD2 . PHE A 1 309 ? -17.559 -9.310 8.340 1.00 26.27 ? 309 PHE A CD2 1 ATOM 2440 C CE1 . PHE A 1 309 ? -19.357 -8.506 10.272 1.00 26.14 ? 309 PHE A CE1 1 ATOM 2441 C CE2 . PHE A 1 309 ? -17.802 -10.115 9.444 1.00 26.45 ? 309 PHE A CE2 1 ATOM 2442 C CZ . PHE A 1 309 ? -18.700 -9.716 10.407 1.00 25.43 ? 309 PHE A CZ 1 ATOM 2443 N N . ARG A 1 310 ? -16.828 -4.528 5.372 1.00 28.04 ? 310 ARG A N 1 ATOM 2444 C CA . ARG A 1 310 ? -16.061 -4.015 4.206 1.00 28.02 ? 310 ARG A CA 1 ATOM 2445 C C . ARG A 1 310 ? -15.157 -2.827 4.575 1.00 26.10 ? 310 ARG A C 1 ATOM 2446 O O . ARG A 1 310 ? -14.006 -2.800 4.153 1.00 21.79 ? 310 ARG A O 1 ATOM 2447 C CB . ARG A 1 310 ? -16.996 -3.610 3.031 1.00 28.40 ? 310 ARG A CB 1 ATOM 2448 C CG . ARG A 1 310 ? -16.285 -3.272 1.709 1.00 29.97 ? 310 ARG A CG 1 ATOM 2449 C CD . ARG A 1 310 ? -17.208 -2.510 0.706 1.00 28.84 ? 310 ARG A CD 1 ATOM 2450 N NE . ARG A 1 310 ? -17.620 -1.221 1.272 1.00 27.04 ? 310 ARG A NE 1 ATOM 2451 C CZ . ARG A 1 310 ? -18.652 -0.482 0.866 1.00 27.23 ? 310 ARG A CZ 1 ATOM 2452 N NH1 . ARG A 1 310 ? -19.416 -0.870 -0.116 1.00 30.58 ? 310 ARG A NH1 1 ATOM 2453 N NH2 . ARG A 1 310 ? -18.976 0.625 1.489 1.00 29.27 ? 310 ARG A NH2 1 ATOM 2454 N N . ASP A 1 311 ? -15.669 -1.857 5.343 1.00 24.04 ? 311 ASP A N 1 ATOM 2455 C CA . ASP A 1 311 ? -14.883 -0.647 5.639 1.00 24.33 ? 311 ASP A CA 1 ATOM 2456 C C . ASP A 1 311 ? -14.260 -0.568 7.058 1.00 23.44 ? 311 ASP A C 1 ATOM 2457 O O . ASP A 1 311 ? -13.207 0.034 7.217 1.00 26.99 ? 311 ASP A O 1 ATOM 2458 C CB . ASP A 1 311 ? -15.750 0.600 5.435 1.00 26.68 ? 311 ASP A CB 1 ATOM 2459 C CG . ASP A 1 311 ? -16.414 0.636 4.076 1.00 30.82 ? 311 ASP A CG 1 ATOM 2460 O OD1 . ASP A 1 311 ? -15.753 0.202 3.111 1.00 35.28 ? 311 ASP A OD1 1 ATOM 2461 O OD2 . ASP A 1 311 ? -17.570 1.120 3.952 1.00 31.26 ? 311 ASP A OD2 1 ATOM 2462 N N . TYR A 1 312 ? -14.941 -1.071 8.082 1.00 19.43 ? 312 TYR A N 1 ATOM 2463 C CA . TYR A 1 312 ? -14.503 -0.951 9.458 1.00 20.44 ? 312 TYR A CA 1 ATOM 2464 C C . TYR A 1 312 ? -13.537 -2.075 9.926 1.00 21.29 ? 312 TYR A C 1 ATOM 2465 O O . TYR A 1 312 ? -12.383 -1.826 10.294 1.00 20.55 ? 312 TYR A O 1 ATOM 2466 C CB . TYR A 1 312 ? -15.750 -0.887 10.391 1.00 22.04 ? 312 TYR A CB 1 ATOM 2467 C CG . TYR A 1 312 ? -15.407 -0.811 11.867 1.00 20.57 ? 312 TYR A CG 1 ATOM 2468 C CD1 . TYR A 1 312 ? -14.946 0.406 12.431 1.00 22.46 ? 312 TYR A CD1 1 ATOM 2469 C CD2 . TYR A 1 312 ? -15.528 -1.893 12.684 1.00 19.89 ? 312 TYR A CD2 1 ATOM 2470 C CE1 . TYR A 1 312 ? -14.614 0.512 13.782 1.00 21.65 ? 312 TYR A CE1 1 ATOM 2471 C CE2 . TYR A 1 312 ? -15.213 -1.807 14.062 1.00 21.70 ? 312 TYR A CE2 1 ATOM 2472 C CZ . TYR A 1 312 ? -14.764 -0.599 14.595 1.00 20.62 ? 312 TYR A CZ 1 ATOM 2473 O OH . TYR A 1 312 ? -14.437 -0.527 15.904 1.00 21.73 ? 312 TYR A OH 1 ATOM 2474 N N . LEU A 1 313 ? -13.990 -3.315 9.902 1.00 23.13 ? 313 LEU A N 1 ATOM 2475 C CA . LEU A 1 313 ? -13.128 -4.457 10.294 1.00 23.38 ? 313 LEU A CA 1 ATOM 2476 C C . LEU A 1 313 ? -11.739 -4.529 9.622 1.00 24.76 ? 313 LEU A C 1 ATOM 2477 O O . LEU A 1 313 ? -10.761 -4.682 10.335 1.00 24.23 ? 313 LEU A O 1 ATOM 2478 C CB . LEU A 1 313 ? -13.869 -5.793 10.211 1.00 24.47 ? 313 LEU A CB 1 ATOM 2479 C CG . LEU A 1 313 ? -15.083 -6.009 11.170 1.00 26.79 ? 313 LEU A CG 1 ATOM 2480 C CD1 . LEU A 1 313 ? -15.662 -7.421 11.025 1.00 28.10 ? 313 LEU A CD1 1 ATOM 2481 C CD2 . LEU A 1 313 ? -14.658 -5.791 12.614 1.00 29.45 ? 313 LEU A CD2 1 ATOM 2482 N N . PRO A 1 314 ? -11.613 -4.310 8.296 1.00 23.50 ? 314 PRO A N 1 ATOM 2483 C CA . PRO A 1 314 ? -10.236 -4.372 7.741 1.00 24.34 ? 314 PRO A CA 1 ATOM 2484 C C . PRO A 1 314 ? -9.234 -3.379 8.351 1.00 25.09 ? 314 PRO A C 1 ATOM 2485 O O . PRO A 1 314 ? -8.083 -3.694 8.475 1.00 27.27 ? 314 PRO A O 1 ATOM 2486 C CB . PRO A 1 314 ? -10.430 -4.130 6.211 1.00 24.62 ? 314 PRO A CB 1 ATOM 2487 C CG . PRO A 1 314 ? -11.884 -4.460 5.980 1.00 26.01 ? 314 PRO A CG 1 ATOM 2488 C CD . PRO A 1 314 ? -12.622 -4.098 7.248 1.00 25.15 ? 314 PRO A CD 1 ATOM 2489 N N . ILE A 1 315 ? -9.703 -2.222 8.800 1.00 24.64 ? 315 ILE A N 1 ATOM 2490 C CA . ILE A 1 315 ? -8.849 -1.266 9.394 1.00 23.64 ? 315 ILE A CA 1 ATOM 2491 C C . ILE A 1 315 ? -8.792 -1.349 10.927 1.00 23.01 ? 315 ILE A C 1 ATOM 2492 O O . ILE A 1 315 ? -8.067 -0.544 11.551 1.00 22.47 ? 315 ILE A O 1 ATOM 2493 C CB . ILE A 1 315 ? -9.160 0.130 8.842 1.00 25.60 ? 315 ILE A CB 1 ATOM 2494 C CG1 . ILE A 1 315 ? -10.540 0.637 9.252 1.00 25.49 ? 315 ILE A CG1 1 ATOM 2495 C CG2 . ILE A 1 315 ? -9.041 0.100 7.312 1.00 29.08 ? 315 ILE A CG2 1 ATOM 2496 C CD1 . ILE A 1 315 ? -10.872 2.002 8.710 1.00 27.00 ? 315 ILE A CD1 1 ATOM 2497 N N . VAL A 1 316 ? -9.513 -2.313 11.519 1.00 21.21 ? 316 VAL A N 1 ATOM 2498 C CA . VAL A 1 316 ? -9.303 -2.662 12.923 1.00 23.36 ? 316 VAL A CA 1 ATOM 2499 C C . VAL A 1 316 ? -8.280 -3.783 12.977 1.00 21.71 ? 316 VAL A C 1 ATOM 2500 O O . VAL A 1 316 ? -7.368 -3.730 13.731 1.00 22.41 ? 316 VAL A O 1 ATOM 2501 C CB . VAL A 1 316 ? -10.613 -3.118 13.680 1.00 24.37 ? 316 VAL A CB 1 ATOM 2502 C CG1 . VAL A 1 316 ? -10.288 -3.458 15.163 1.00 23.48 ? 316 VAL A CG1 1 ATOM 2503 C CG2 . VAL A 1 316 ? -11.699 -2.098 13.602 1.00 22.11 ? 316 VAL A CG2 1 ATOM 2504 N N . LEU A 1 317 ? -8.475 -4.818 12.196 1.00 19.89 ? 317 LEU A N 1 ATOM 2505 C CA . LEU A 1 317 ? -7.733 -6.047 12.338 1.00 24.43 ? 317 LEU A CA 1 ATOM 2506 C C . LEU A 1 317 ? -6.539 -6.059 11.399 1.00 26.29 ? 317 LEU A C 1 ATOM 2507 O O . LEU A 1 317 ? -5.626 -6.846 11.617 1.00 29.10 ? 317 LEU A O 1 ATOM 2508 C CB . LEU A 1 317 ? -8.638 -7.266 12.032 1.00 23.87 ? 317 LEU A CB 1 ATOM 2509 C CG . LEU A 1 317 ? -9.925 -7.377 12.931 1.00 26.80 ? 317 LEU A CG 1 ATOM 2510 C CD1 . LEU A 1 317 ? -10.977 -8.356 12.375 1.00 26.85 ? 317 LEU A CD1 1 ATOM 2511 C CD2 . LEU A 1 317 ? -9.571 -7.771 14.361 1.00 23.39 ? 317 LEU A CD2 1 ATOM 2512 N N . GLY A 1 318 ? -6.531 -5.177 10.394 1.00 27.87 ? 318 GLY A N 1 ATOM 2513 C CA . GLY A 1 318 ? -5.349 -4.968 9.542 1.00 29.81 ? 318 GLY A CA 1 ATOM 2514 C C . GLY A 1 318 ? -4.954 -6.262 8.901 1.00 30.34 ? 318 GLY A C 1 ATOM 2515 O O . GLY A 1 318 ? -5.816 -6.987 8.414 1.00 32.24 ? 318 GLY A O 1 ATOM 2516 N N . SER A 1 319 ? -3.680 -6.601 8.970 1.00 34.29 ? 319 SER A N 1 ATOM 2517 C CA . SER A 1 319 ? -3.194 -7.867 8.387 1.00 36.60 ? 319 SER A CA 1 ATOM 2518 C C . SER A 1 319 ? -3.701 -9.150 9.028 1.00 37.51 ? 319 SER A C 1 ATOM 2519 O O . SER A 1 319 ? -3.503 -10.221 8.489 1.00 42.05 ? 319 SER A O 1 ATOM 2520 C CB . SER A 1 319 ? -1.675 -7.886 8.476 1.00 38.42 ? 319 SER A CB 1 ATOM 2521 O OG . SER A 1 319 ? -1.274 -7.765 9.837 1.00 42.42 ? 319 SER A OG 1 ATOM 2522 N N . GLU A 1 320 ? -4.326 -9.082 10.194 1.00 40.68 ? 320 GLU A N 1 ATOM 2523 C CA . GLU A 1 320 ? -4.935 -10.280 10.778 1.00 38.78 ? 320 GLU A CA 1 ATOM 2524 C C . GLU A 1 320 ? -6.344 -10.575 10.242 1.00 39.46 ? 320 GLU A C 1 ATOM 2525 O O . GLU A 1 320 ? -6.865 -11.637 10.520 1.00 45.75 ? 320 GLU A O 1 ATOM 2526 C CB . GLU A 1 320 ? -5.025 -10.161 12.291 1.00 39.09 ? 320 GLU A CB 1 ATOM 2527 C CG . GLU A 1 320 ? -3.757 -9.793 12.995 1.00 43.05 ? 320 GLU A CG 1 ATOM 2528 C CD . GLU A 1 320 ? -2.791 -10.930 13.047 1.00 48.93 ? 320 GLU A CD 1 ATOM 2529 O OE1 . GLU A 1 320 ? -2.839 -11.674 14.057 1.00 50.61 ? 320 GLU A OE1 1 ATOM 2530 O OE2 . GLU A 1 320 ? -2.014 -11.080 12.063 1.00 58.92 ? 320 GLU A OE2 1 ATOM 2531 N N . MET A 1 321 ? -6.960 -9.632 9.519 1.00 38.86 ? 321 MET A N 1 ATOM 2532 C CA . MET A 1 321 ? -8.328 -9.758 8.937 1.00 39.36 ? 321 MET A CA 1 ATOM 2533 C C . MET A 1 321 ? -8.535 -11.096 8.226 1.00 42.31 ? 321 MET A C 1 ATOM 2534 O O . MET A 1 321 ? -9.416 -11.869 8.605 1.00 42.68 ? 321 MET A O 1 ATOM 2535 C CB . MET A 1 321 ? -8.596 -8.566 8.006 1.00 38.70 ? 321 MET A CB 1 ATOM 2536 C CG . MET A 1 321 ? -9.869 -8.530 7.128 1.00 41.02 ? 321 MET A CG 1 ATOM 2537 S SD . MET A 1 321 ? -11.252 -7.899 8.049 1.00 35.66 ? 321 MET A SD 1 ATOM 2538 C CE . MET A 1 321 ? -12.724 -8.374 7.133 1.00 40.60 ? 321 MET A CE 1 ATOM 2539 N N . GLN A 1 322 ? -7.705 -11.381 7.227 1.00 50.73 ? 322 GLN A N 1 ATOM 2540 C CA . GLN A 1 322 ? -7.875 -12.597 6.399 1.00 54.37 ? 322 GLN A CA 1 ATOM 2541 C C . GLN A 1 322 ? -7.674 -13.877 7.180 1.00 46.80 ? 322 GLN A C 1 ATOM 2542 O O . GLN A 1 322 ? -8.290 -14.891 6.900 1.00 50.02 ? 322 GLN A O 1 ATOM 2543 C CB . GLN A 1 322 ? -6.910 -12.583 5.209 1.00 64.87 ? 322 GLN A CB 1 ATOM 2544 C CG . GLN A 1 322 ? -7.264 -11.576 4.130 1.00 72.63 ? 322 GLN A CG 1 ATOM 2545 C CD . GLN A 1 322 ? -8.727 -11.662 3.708 1.00 90.46 ? 322 GLN A CD 1 ATOM 2546 O OE1 . GLN A 1 322 ? -9.235 -12.746 3.408 1.00 96.30 ? 322 GLN A OE1 1 ATOM 2547 N NE2 . GLN A 1 322 ? -9.419 -10.520 3.712 1.00 103.40 ? 322 GLN A NE2 1 ATOM 2548 N N . LYS A 1 323 ? -6.794 -13.826 8.160 1.00 45.25 ? 323 LYS A N 1 ATOM 2549 C CA . LYS A 1 323 ? -6.527 -14.965 9.015 1.00 45.11 ? 323 LYS A CA 1 ATOM 2550 C C . LYS A 1 323 ? -7.751 -15.455 9.872 1.00 45.88 ? 323 LYS A C 1 ATOM 2551 O O . LYS A 1 323 ? -7.888 -16.662 10.127 1.00 41.87 ? 323 LYS A O 1 ATOM 2552 C CB . LYS A 1 323 ? -5.322 -14.617 9.883 1.00 47.69 ? 323 LYS A CB 1 ATOM 2553 C CG . LYS A 1 323 ? -5.073 -15.556 11.033 1.00 56.57 ? 323 LYS A CG 1 ATOM 2554 C CD . LYS A 1 323 ? -3.721 -15.264 11.657 1.00 59.79 ? 323 LYS A CD 1 ATOM 2555 C CE . LYS A 1 323 ? -3.655 -15.781 13.078 1.00 61.61 ? 323 LYS A CE 1 ATOM 2556 N NZ . LYS A 1 323 ? -4.245 -17.150 13.239 1.00 68.30 ? 323 LYS A NZ 1 ATOM 2557 N N . TRP A 1 324 ? -8.601 -14.539 10.348 1.00 39.75 ? 324 TRP A N 1 ATOM 2558 C CA . TRP A 1 324 ? -9.756 -14.906 11.208 1.00 37.96 ? 324 TRP A CA 1 ATOM 2559 C C . TRP A 1 324 ? -11.066 -14.796 10.445 1.00 39.17 ? 324 TRP A C 1 ATOM 2560 O O . TRP A 1 324 ? -12.063 -15.389 10.839 1.00 37.71 ? 324 TRP A O 1 ATOM 2561 C CB . TRP A 1 324 ? -9.797 -14.053 12.506 1.00 40.79 ? 324 TRP A CB 1 ATOM 2562 C CG . TRP A 1 324 ? -8.521 -14.099 13.334 1.00 37.36 ? 324 TRP A CG 1 ATOM 2563 C CD1 . TRP A 1 324 ? -7.527 -13.140 13.406 1.00 37.27 ? 324 TRP A CD1 1 ATOM 2564 C CD2 . TRP A 1 324 ? -8.113 -15.145 14.197 1.00 37.29 ? 324 TRP A CD2 1 ATOM 2565 N NE1 . TRP A 1 324 ? -6.505 -13.565 14.245 1.00 37.01 ? 324 TRP A NE1 1 ATOM 2566 C CE2 . TRP A 1 324 ? -6.841 -14.790 14.738 1.00 37.68 ? 324 TRP A CE2 1 ATOM 2567 C CE3 . TRP A 1 324 ? -8.669 -16.375 14.542 1.00 39.29 ? 324 TRP A CE3 1 ATOM 2568 C CZ2 . TRP A 1 324 ? -6.151 -15.613 15.617 1.00 41.91 ? 324 TRP A CZ2 1 ATOM 2569 C CZ3 . TRP A 1 324 ? -7.982 -17.189 15.411 1.00 39.93 ? 324 TRP A CZ3 1 ATOM 2570 C CH2 . TRP A 1 324 ? -6.735 -16.806 15.948 1.00 41.85 ? 324 TRP A CH2 1 ATOM 2571 N N . ILE A 1 325 ? -11.082 -14.065 9.327 1.00 38.99 ? 325 ILE A N 1 ATOM 2572 C CA . ILE A 1 325 ? -12.332 -13.822 8.613 1.00 36.91 ? 325 ILE A CA 1 ATOM 2573 C C . ILE A 1 325 ? -12.104 -14.073 7.116 1.00 38.13 ? 325 ILE A C 1 ATOM 2574 O O . ILE A 1 325 ? -12.042 -13.112 6.310 1.00 36.37 ? 325 ILE A O 1 ATOM 2575 C CB . ILE A 1 325 ? -12.890 -12.392 8.857 1.00 33.34 ? 325 ILE A CB 1 ATOM 2576 C CG1 . ILE A 1 325 ? -12.979 -12.070 10.351 1.00 30.71 ? 325 ILE A CG1 1 ATOM 2577 C CG2 . ILE A 1 325 ? -14.259 -12.234 8.184 1.00 32.71 ? 325 ILE A CG2 1 ATOM 2578 C CD1 . ILE A 1 325 ? -13.390 -10.625 10.625 1.00 31.34 ? 325 ILE A CD1 1 ATOM 2579 N N . PRO A 1 326 ? -12.049 -15.356 6.723 1.00 41.75 ? 326 PRO A N 1 ATOM 2580 C CA . PRO A 1 326 ? -11.872 -15.644 5.274 1.00 42.99 ? 326 PRO A CA 1 ATOM 2581 C C . PRO A 1 326 ? -13.050 -15.194 4.451 1.00 42.98 ? 326 PRO A C 1 ATOM 2582 O O . PRO A 1 326 ? -14.074 -14.843 5.005 1.00 42.37 ? 326 PRO A O 1 ATOM 2583 C CB . PRO A 1 326 ? -11.703 -17.156 5.220 1.00 43.34 ? 326 PRO A CB 1 ATOM 2584 C CG . PRO A 1 326 ? -12.198 -17.690 6.534 1.00 42.66 ? 326 PRO A CG 1 ATOM 2585 C CD . PRO A 1 326 ? -12.392 -16.563 7.505 1.00 41.68 ? 326 PRO A CD 1 ATOM 2586 N N . PRO A 1 327 ? -12.931 -15.216 3.107 1.00 51.88 ? 327 PRO A N 1 ATOM 2587 C CA . PRO A 1 327 ? -14.084 -14.814 2.284 1.00 47.26 ? 327 PRO A CA 1 ATOM 2588 C C . PRO A 1 327 ? -15.305 -15.656 2.589 1.00 40.15 ? 327 PRO A C 1 ATOM 2589 O O . PRO A 1 327 ? -15.169 -16.806 2.921 1.00 39.37 ? 327 PRO A O 1 ATOM 2590 C CB . PRO A 1 327 ? -13.598 -15.055 0.856 1.00 50.35 ? 327 PRO A CB 1 ATOM 2591 C CG . PRO A 1 327 ? -12.102 -14.975 0.961 1.00 52.75 ? 327 PRO A CG 1 ATOM 2592 C CD . PRO A 1 327 ? -11.798 -15.641 2.267 1.00 50.77 ? 327 PRO A CD 1 ATOM 2593 N N . TYR A 1 328 ? -16.483 -15.067 2.503 1.00 40.26 ? 328 TYR A N 1 ATOM 2594 C CA . TYR A 1 328 ? -17.703 -15.740 2.972 1.00 41.78 ? 328 TYR A CA 1 ATOM 2595 C C . TYR A 1 328 ? -18.001 -16.970 2.110 1.00 40.09 ? 328 TYR A C 1 ATOM 2596 O O . TYR A 1 328 ? -17.879 -16.891 0.906 1.00 37.61 ? 328 TYR A O 1 ATOM 2597 C CB . TYR A 1 328 ? -18.859 -14.753 2.895 1.00 38.91 ? 328 TYR A CB 1 ATOM 2598 C CG . TYR A 1 328 ? -20.217 -15.246 3.308 1.00 34.53 ? 328 TYR A CG 1 ATOM 2599 C CD1 . TYR A 1 328 ? -20.485 -15.611 4.638 1.00 30.97 ? 328 TYR A CD1 1 ATOM 2600 C CD2 . TYR A 1 328 ? -21.278 -15.273 2.384 1.00 30.21 ? 328 TYR A CD2 1 ATOM 2601 C CE1 . TYR A 1 328 ? -21.769 -16.023 5.021 1.00 31.52 ? 328 TYR A CE1 1 ATOM 2602 C CE2 . TYR A 1 328 ? -22.568 -15.666 2.769 1.00 30.39 ? 328 TYR A CE2 1 ATOM 2603 C CZ . TYR A 1 328 ? -22.822 -16.027 4.083 1.00 29.65 ? 328 TYR A CZ 1 ATOM 2604 O OH . TYR A 1 328 ? -24.109 -16.397 4.455 1.00 31.73 ? 328 TYR A OH 1 ATOM 2605 N N . GLN A 1 329 ? -18.366 -18.070 2.754 1.00 37.66 ? 329 GLN A N 1 ATOM 2606 C CA . GLN A 1 329 ? -18.667 -19.343 2.095 1.00 45.10 ? 329 GLN A CA 1 ATOM 2607 C C . GLN A 1 329 ? -20.113 -19.808 2.328 1.00 42.85 ? 329 GLN A C 1 ATOM 2608 O O . GLN A 1 329 ? -20.428 -20.965 2.101 1.00 51.51 ? 329 GLN A O 1 ATOM 2609 C CB . GLN A 1 329 ? -17.692 -20.428 2.586 1.00 45.25 ? 329 GLN A CB 1 ATOM 2610 C CG . GLN A 1 329 ? -16.249 -20.174 2.189 1.00 51.08 ? 329 GLN A CG 1 ATOM 2611 C CD . GLN A 1 329 ? -16.101 -19.999 0.678 1.00 61.92 ? 329 GLN A CD 1 ATOM 2612 O OE1 . GLN A 1 329 ? -15.581 -18.980 0.191 1.00 69.81 ? 329 GLN A OE1 1 ATOM 2613 N NE2 . GLN A 1 329 ? -16.602 -20.984 -0.081 1.00 66.52 ? 329 GLN A NE2 1 ATOM 2614 N N . GLY A 1 330 ? -20.991 -18.912 2.748 1.00 35.02 ? 330 GLY A N 1 ATOM 2615 C CA . GLY A 1 330 ? -22.386 -19.245 2.959 1.00 33.77 ? 330 GLY A CA 1 ATOM 2616 C C . GLY A 1 330 ? -22.689 -19.511 4.429 1.00 31.07 ? 330 GLY A C 1 ATOM 2617 O O . GLY A 1 330 ? -21.800 -19.587 5.278 1.00 32.02 ? 330 GLY A O 1 ATOM 2618 N N . TYR A 1 331 ? -23.967 -19.606 4.716 1.00 27.95 ? 331 TYR A N 1 ATOM 2619 C CA . TYR A 1 331 ? -24.472 -19.812 6.046 1.00 27.81 ? 331 TYR A CA 1 ATOM 2620 C C . TYR A 1 331 ? -24.205 -21.196 6.519 1.00 31.71 ? 331 TYR A C 1 ATOM 2621 O O . TYR A 1 331 ? -24.436 -22.174 5.770 1.00 32.61 ? 331 TYR A O 1 ATOM 2622 C CB . TYR A 1 331 ? -25.956 -19.570 6.044 1.00 28.42 ? 331 TYR A CB 1 ATOM 2623 C CG . TYR A 1 331 ? -26.719 -19.989 7.289 1.00 31.41 ? 331 TYR A CG 1 ATOM 2624 C CD1 . TYR A 1 331 ? -26.391 -19.481 8.554 1.00 30.68 ? 331 TYR A CD1 1 ATOM 2625 C CD2 . TYR A 1 331 ? -27.851 -20.836 7.184 1.00 29.91 ? 331 TYR A CD2 1 ATOM 2626 C CE1 . TYR A 1 331 ? -27.141 -19.835 9.674 1.00 29.77 ? 331 TYR A CE1 1 ATOM 2627 C CE2 . TYR A 1 331 ? -28.597 -21.165 8.298 1.00 32.14 ? 331 TYR A CE2 1 ATOM 2628 C CZ . TYR A 1 331 ? -28.238 -20.665 9.543 1.00 30.61 ? 331 TYR A CZ 1 ATOM 2629 O OH . TYR A 1 331 ? -28.991 -21.034 10.651 1.00 30.38 ? 331 TYR A OH 1 ATOM 2630 N N . ASN A 1 332 ? -23.757 -21.295 7.766 1.00 28.50 ? 332 ASN A N 1 ATOM 2631 C CA . ASN A 1 332 ? -23.468 -22.577 8.413 1.00 31.80 ? 332 ASN A CA 1 ATOM 2632 C C . ASN A 1 332 ? -24.224 -22.592 9.750 1.00 32.72 ? 332 ASN A C 1 ATOM 2633 O O . ASN A 1 332 ? -23.859 -21.902 10.698 1.00 34.24 ? 332 ASN A O 1 ATOM 2634 C CB . ASN A 1 332 ? -21.943 -22.701 8.615 1.00 30.63 ? 332 ASN A CB 1 ATOM 2635 C CG . ASN A 1 332 ? -21.525 -23.997 9.305 1.00 30.77 ? 332 ASN A CG 1 ATOM 2636 O OD1 . ASN A 1 332 ? -22.344 -24.700 9.845 1.00 30.31 ? 332 ASN A OD1 1 ATOM 2637 N ND2 . ASN A 1 332 ? -20.246 -24.308 9.276 1.00 36.46 ? 332 ASN A ND2 1 ATOM 2638 N N . ASN A 1 333 ? -25.230 -23.432 9.862 1.00 32.41 ? 333 ASN A N 1 ATOM 2639 C CA . ASN A 1 333 ? -26.073 -23.448 11.071 1.00 31.34 ? 333 ASN A CA 1 ATOM 2640 C C . ASN A 1 333 ? -25.503 -24.303 12.206 1.00 29.08 ? 333 ASN A C 1 ATOM 2641 O O . ASN A 1 333 ? -26.144 -24.467 13.239 1.00 27.09 ? 333 ASN A O 1 ATOM 2642 C CB . ASN A 1 333 ? -27.510 -23.771 10.703 1.00 33.73 ? 333 ASN A CB 1 ATOM 2643 C CG . ASN A 1 333 ? -27.776 -25.235 10.483 1.00 38.95 ? 333 ASN A CG 1 ATOM 2644 O OD1 . ASN A 1 333 ? -26.900 -26.025 10.211 1.00 46.30 ? 333 ASN A OD1 1 ATOM 2645 N ND2 . ASN A 1 333 ? -29.029 -25.598 10.601 1.00 51.17 ? 333 ASN A ND2 1 ATOM 2646 N N . SER A 1 334 ? -24.288 -24.814 12.034 1.00 26.06 ? 334 SER A N 1 ATOM 2647 C CA . SER A 1 334 ? -23.603 -25.444 13.129 1.00 29.24 ? 334 SER A CA 1 ATOM 2648 C C . SER A 1 334 ? -22.753 -24.441 13.903 1.00 29.94 ? 334 SER A C 1 ATOM 2649 O O . SER A 1 334 ? -22.187 -24.804 14.900 1.00 30.20 ? 334 SER A O 1 ATOM 2650 C CB . SER A 1 334 ? -22.730 -26.596 12.650 1.00 32.50 ? 334 SER A CB 1 ATOM 2651 O OG . SER A 1 334 ? -23.580 -27.651 12.192 1.00 34.39 ? 334 SER A OG 1 ATOM 2652 N N . VAL A 1 335 ? -22.698 -23.192 13.454 1.00 30.65 ? 335 VAL A N 1 ATOM 2653 C CA . VAL A 1 335 ? -21.890 -22.151 14.080 1.00 29.57 ? 335 VAL A CA 1 ATOM 2654 C C . VAL A 1 335 ? -22.708 -21.455 15.137 1.00 29.44 ? 335 VAL A C 1 ATOM 2655 O O . VAL A 1 335 ? -23.890 -21.192 14.942 1.00 29.87 ? 335 VAL A O 1 ATOM 2656 C CB . VAL A 1 335 ? -21.377 -21.133 13.033 1.00 31.37 ? 335 VAL A CB 1 ATOM 2657 C CG1 . VAL A 1 335 ? -20.716 -19.894 13.706 1.00 32.67 ? 335 VAL A CG1 1 ATOM 2658 C CG2 . VAL A 1 335 ? -20.355 -21.809 12.135 1.00 31.93 ? 335 VAL A CG2 1 ATOM 2659 N N . ASP A 1 336 ? -22.065 -21.185 16.276 1.00 30.84 ? 336 ASP A N 1 ATOM 2660 C CA . ASP A 1 336 ? -22.693 -20.479 17.377 1.00 29.70 ? 336 ASP A CA 1 ATOM 2661 C C . ASP A 1 336 ? -22.596 -18.983 17.136 1.00 28.79 ? 336 ASP A C 1 ATOM 2662 O O . ASP A 1 336 ? -21.507 -18.426 17.192 1.00 31.92 ? 336 ASP A O 1 ATOM 2663 C CB . ASP A 1 336 ? -21.971 -20.787 18.667 1.00 30.51 ? 336 ASP A CB 1 ATOM 2664 C CG . ASP A 1 336 ? -22.612 -20.109 19.885 1.00 31.75 ? 336 ASP A CG 1 ATOM 2665 O OD1 . ASP A 1 336 ? -23.617 -19.368 19.766 1.00 29.55 ? 336 ASP A OD1 1 ATOM 2666 O OD2 . ASP A 1 336 ? -22.090 -20.334 20.975 1.00 30.19 ? 336 ASP A OD2 1 ATOM 2667 N N . PRO A 1 337 ? -23.728 -18.322 16.882 1.00 28.56 ? 337 PRO A N 1 ATOM 2668 C CA . PRO A 1 337 ? -23.663 -16.914 16.605 1.00 30.08 ? 337 PRO A CA 1 ATOM 2669 C C . PRO A 1 337 ? -23.737 -16.013 17.878 1.00 31.92 ? 337 PRO A C 1 ATOM 2670 O O . PRO A 1 337 ? -23.713 -14.774 17.739 1.00 31.57 ? 337 PRO A O 1 ATOM 2671 C CB . PRO A 1 337 ? -24.907 -16.709 15.764 1.00 29.93 ? 337 PRO A CB 1 ATOM 2672 C CG . PRO A 1 337 ? -25.907 -17.612 16.394 1.00 30.18 ? 337 PRO A CG 1 ATOM 2673 C CD . PRO A 1 337 ? -25.124 -18.805 16.868 1.00 29.51 ? 337 PRO A CD 1 ATOM 2674 N N . ARG A 1 338 ? -23.877 -16.613 19.069 1.00 28.13 ? 338 ARG A N 1 ATOM 2675 C CA . ARG A 1 338 ? -23.997 -15.834 20.325 1.00 28.01 ? 338 ARG A CA 1 ATOM 2676 C C . ARG A 1 338 ? -22.745 -15.011 20.579 1.00 24.65 ? 338 ARG A C 1 ATOM 2677 O O . ARG A 1 338 ? -21.613 -15.502 20.430 1.00 27.56 ? 338 ARG A O 1 ATOM 2678 C CB . ARG A 1 338 ? -24.195 -16.761 21.519 1.00 27.40 ? 338 ARG A CB 1 ATOM 2679 C CG . ARG A 1 338 ? -25.560 -17.434 21.575 1.00 28.26 ? 338 ARG A CG 1 ATOM 2680 C CD . ARG A 1 338 ? -25.695 -18.393 22.741 1.00 25.94 ? 338 ARG A CD 1 ATOM 2681 N NE . ARG A 1 338 ? -24.619 -19.357 22.658 1.00 28.02 ? 338 ARG A NE 1 ATOM 2682 C CZ . ARG A 1 338 ? -24.138 -20.043 23.680 1.00 29.54 ? 338 ARG A CZ 1 ATOM 2683 N NH1 . ARG A 1 338 ? -24.688 -19.959 24.912 1.00 31.01 ? 338 ARG A NH1 1 ATOM 2684 N NH2 . ARG A 1 338 ? -23.132 -20.842 23.469 1.00 27.85 ? 338 ARG A NH2 1 ATOM 2685 N N . ILE A 1 339 ? -22.936 -13.773 20.983 1.00 21.81 ? 339 ILE A N 1 ATOM 2686 C CA . ILE A 1 339 ? -21.833 -12.968 21.524 1.00 20.81 ? 339 ILE A CA 1 ATOM 2687 C C . ILE A 1 339 ? -21.255 -13.577 22.829 1.00 21.51 ? 339 ILE A C 1 ATOM 2688 O O . ILE A 1 339 ? -22.002 -13.973 23.713 1.00 22.16 ? 339 ILE A O 1 ATOM 2689 C CB . ILE A 1 339 ? -22.306 -11.509 21.775 1.00 21.87 ? 339 ILE A CB 1 ATOM 2690 C CG1 . ILE A 1 339 ? -22.819 -10.899 20.484 1.00 23.49 ? 339 ILE A CG1 1 ATOM 2691 C CG2 . ILE A 1 339 ? -21.168 -10.654 22.271 1.00 22.25 ? 339 ILE A CG2 1 ATOM 2692 C CD1 . ILE A 1 339 ? -21.810 -10.914 19.319 1.00 23.58 ? 339 ILE A CD1 1 ATOM 2693 N N . SER A 1 340 ? -19.938 -13.684 22.927 1.00 20.20 ? 340 SER A N 1 ATOM 2694 C CA . SER A 1 340 ? -19.288 -14.238 24.118 1.00 17.92 ? 340 SER A CA 1 ATOM 2695 C C . SER A 1 340 ? -19.076 -13.157 25.148 1.00 19.78 ? 340 SER A C 1 ATOM 2696 O O . SER A 1 340 ? -19.028 -11.915 24.856 1.00 20.22 ? 340 SER A O 1 ATOM 2697 C CB . SER A 1 340 ? -17.948 -14.813 23.772 1.00 19.25 ? 340 SER A CB 1 ATOM 2698 O OG . SER A 1 340 ? -17.057 -13.766 23.311 1.00 19.41 ? 340 SER A OG 1 ATOM 2699 N N . ASN A 1 341 ? -18.978 -13.609 26.386 1.00 20.92 ? 341 ASN A N 1 ATOM 2700 C CA . ASN A 1 341 ? -18.865 -12.706 27.487 1.00 20.76 ? 341 ASN A CA 1 ATOM 2701 C C . ASN A 1 341 ? -17.526 -11.961 27.289 1.00 22.39 ? 341 ASN A C 1 ATOM 2702 O O . ASN A 1 341 ? -17.453 -10.731 27.454 1.00 19.87 ? 341 ASN A O 1 ATOM 2703 C CB . ASN A 1 341 ? -18.918 -13.503 28.753 1.00 21.17 ? 341 ASN A CB 1 ATOM 2704 C CG . ASN A 1 341 ? -19.255 -12.689 29.952 1.00 25.40 ? 341 ASN A CG 1 ATOM 2705 O OD1 . ASN A 1 341 ? -18.815 -11.532 30.091 1.00 24.74 ? 341 ASN A OD1 1 ATOM 2706 N ND2 . ASN A 1 341 ? -20.117 -13.257 30.816 1.00 23.53 ? 341 ASN A ND2 1 ATOM 2707 N N . VAL A 1 342 ? -16.499 -12.683 26.822 1.00 22.32 ? 342 VAL A N 1 ATOM 2708 C CA . VAL A 1 342 ? -15.196 -12.018 26.646 1.00 21.99 ? 342 VAL A CA 1 ATOM 2709 C C . VAL A 1 342 ? -15.190 -10.906 25.598 1.00 21.02 ? 342 VAL A C 1 ATOM 2710 O O . VAL A 1 342 ? -14.533 -9.898 25.761 1.00 20.91 ? 342 VAL A O 1 ATOM 2711 C CB . VAL A 1 342 ? -14.021 -13.000 26.432 1.00 21.76 ? 342 VAL A CB 1 ATOM 2712 C CG1 . VAL A 1 342 ? -14.029 -13.555 25.029 1.00 20.38 ? 342 VAL A CG1 1 ATOM 2713 C CG2 . VAL A 1 342 ? -12.666 -12.292 26.781 1.00 22.83 ? 342 VAL A CG2 1 ATOM 2714 N N . PHE A 1 343 ? -15.898 -11.116 24.502 1.00 21.48 ? 343 PHE A N 1 ATOM 2715 C CA . PHE A 1 343 ? -16.069 -10.091 23.487 1.00 19.37 ? 343 PHE A CA 1 ATOM 2716 C C . PHE A 1 343 ? -16.561 -8.755 24.038 1.00 20.36 ? 343 PHE A C 1 ATOM 2717 O O . PHE A 1 343 ? -16.202 -7.731 23.503 1.00 19.31 ? 343 PHE A O 1 ATOM 2718 C CB . PHE A 1 343 ? -16.991 -10.634 22.370 1.00 19.56 ? 343 PHE A CB 1 ATOM 2719 C CG . PHE A 1 343 ? -17.232 -9.653 21.206 1.00 20.67 ? 343 PHE A CG 1 ATOM 2720 C CD1 . PHE A 1 343 ? -16.341 -9.592 20.116 1.00 21.92 ? 343 PHE A CD1 1 ATOM 2721 C CD2 . PHE A 1 343 ? -18.328 -8.856 21.206 1.00 19.45 ? 343 PHE A CD2 1 ATOM 2722 C CE1 . PHE A 1 343 ? -16.565 -8.735 19.047 1.00 19.90 ? 343 PHE A CE1 1 ATOM 2723 C CE2 . PHE A 1 343 ? -18.579 -7.990 20.145 1.00 20.20 ? 343 PHE A CE2 1 ATOM 2724 C CZ . PHE A 1 343 ? -17.686 -7.943 19.063 1.00 22.70 ? 343 PHE A CZ 1 ATOM 2725 N N . THR A 1 344 ? -17.387 -8.760 25.087 1.00 21.01 ? 344 THR A N 1 ATOM 2726 C CA . THR A 1 344 ? -17.992 -7.577 25.547 1.00 20.38 ? 344 THR A CA 1 ATOM 2727 C C . THR A 1 344 ? -16.885 -6.679 26.207 1.00 21.64 ? 344 THR A C 1 ATOM 2728 O O . THR A 1 344 ? -17.026 -5.437 26.194 1.00 19.86 ? 344 THR A O 1 ATOM 2729 C CB . THR A 1 344 ? -19.240 -7.730 26.487 1.00 21.90 ? 344 THR A CB 1 ATOM 2730 O OG1 . THR A 1 344 ? -18.854 -8.075 27.815 1.00 21.29 ? 344 THR A OG1 1 ATOM 2731 C CG2 . THR A 1 344 ? -20.256 -8.728 25.952 1.00 22.03 ? 344 THR A CG2 1 ATOM 2732 N N . PHE A 1 345 ? -15.788 -7.297 26.636 1.00 19.49 ? 345 PHE A N 1 ATOM 2733 C CA . PHE A 1 345 ? -14.591 -6.603 27.084 1.00 19.88 ? 345 PHE A CA 1 ATOM 2734 C C . PHE A 1 345 ? -13.538 -6.385 25.967 1.00 19.09 ? 345 PHE A C 1 ATOM 2735 O O . PHE A 1 345 ? -12.923 -5.325 25.921 1.00 18.30 ? 345 PHE A O 1 ATOM 2736 C CB . PHE A 1 345 ? -13.984 -7.299 28.280 1.00 20.78 ? 345 PHE A CB 1 ATOM 2737 C CG . PHE A 1 345 ? -14.982 -7.517 29.395 1.00 21.19 ? 345 PHE A CG 1 ATOM 2738 C CD1 . PHE A 1 345 ? -15.247 -6.502 30.305 1.00 20.99 ? 345 PHE A CD1 1 ATOM 2739 C CD2 . PHE A 1 345 ? -15.725 -8.704 29.479 1.00 22.65 ? 345 PHE A CD2 1 ATOM 2740 C CE1 . PHE A 1 345 ? -16.220 -6.679 31.282 1.00 21.16 ? 345 PHE A CE1 1 ATOM 2741 C CE2 . PHE A 1 345 ? -16.717 -8.880 30.497 1.00 22.97 ? 345 PHE A CE2 1 ATOM 2742 C CZ . PHE A 1 345 ? -16.934 -7.853 31.389 1.00 20.94 ? 345 PHE A CZ 1 ATOM 2743 N N . ALA A 1 346 ? -13.366 -7.310 25.049 1.00 17.78 ? 346 ALA A N 1 ATOM 2744 C CA . ALA A 1 346 ? -12.448 -7.059 23.900 1.00 17.71 ? 346 ALA A CA 1 ATOM 2745 C C . ALA A 1 346 ? -12.864 -5.844 23.082 1.00 19.80 ? 346 ALA A C 1 ATOM 2746 O O . ALA A 1 346 ? -11.998 -5.041 22.655 1.00 22.37 ? 346 ALA A O 1 ATOM 2747 C CB . ALA A 1 346 ? -12.357 -8.249 22.977 1.00 16.31 ? 346 ALA A CB 1 ATOM 2748 N N . PHE A 1 347 ? -14.160 -5.668 22.889 1.00 19.79 ? 347 PHE A N 1 ATOM 2749 C CA . PHE A 1 347 ? -14.656 -4.568 22.029 1.00 19.68 ? 347 PHE A CA 1 ATOM 2750 C C . PHE A 1 347 ? -14.553 -3.188 22.719 1.00 19.61 ? 347 PHE A C 1 ATOM 2751 O O . PHE A 1 347 ? -14.701 -2.138 22.106 1.00 19.63 ? 347 PHE A O 1 ATOM 2752 C CB . PHE A 1 347 ? -16.074 -4.908 21.599 1.00 22.13 ? 347 PHE A CB 1 ATOM 2753 C CG . PHE A 1 347 ? -16.482 -4.334 20.268 1.00 23.96 ? 347 PHE A CG 1 ATOM 2754 C CD1 . PHE A 1 347 ? -15.694 -3.410 19.560 1.00 26.00 ? 347 PHE A CD1 1 ATOM 2755 C CD2 . PHE A 1 347 ? -17.699 -4.701 19.729 1.00 23.73 ? 347 PHE A CD2 1 ATOM 2756 C CE1 . PHE A 1 347 ? -16.108 -2.934 18.332 1.00 26.55 ? 347 PHE A CE1 1 ATOM 2757 C CE2 . PHE A 1 347 ? -18.104 -4.202 18.522 1.00 23.01 ? 347 PHE A CE2 1 ATOM 2758 C CZ . PHE A 1 347 ? -17.313 -3.319 17.817 1.00 23.52 ? 347 PHE A CZ 1 ATOM 2759 N N . ARG A 1 348 ? -14.259 -3.186 24.015 1.00 20.21 ? 348 ARG A N 1 ATOM 2760 C CA . ARG A 1 348 ? -13.916 -1.931 24.750 1.00 20.79 ? 348 ARG A CA 1 ATOM 2761 C C . ARG A 1 348 ? -12.512 -1.405 24.493 1.00 21.78 ? 348 ARG A C 1 ATOM 2762 O O . ARG A 1 348 ? -12.102 -0.401 25.105 1.00 24.22 ? 348 ARG A O 1 ATOM 2763 C CB . ARG A 1 348 ? -14.117 -2.135 26.239 1.00 21.77 ? 348 ARG A CB 1 ATOM 2764 C CG . ARG A 1 348 ? -15.540 -2.520 26.623 1.00 22.38 ? 348 ARG A CG 1 ATOM 2765 C CD . ARG A 1 348 ? -15.617 -2.688 28.144 1.00 22.36 ? 348 ARG A CD 1 ATOM 2766 N NE . ARG A 1 348 ? -16.773 -3.487 28.524 1.00 21.87 ? 348 ARG A NE 1 ATOM 2767 C CZ . ARG A 1 348 ? -17.510 -3.314 29.605 1.00 22.44 ? 348 ARG A CZ 1 ATOM 2768 N NH1 . ARG A 1 348 ? -17.213 -2.409 30.548 1.00 23.26 ? 348 ARG A NH1 1 ATOM 2769 N NH2 . ARG A 1 348 ? -18.507 -4.144 29.794 1.00 26.40 ? 348 ARG A NH2 1 ATOM 2770 N N . PHE A 1 349 ? -11.784 -1.991 23.536 1.00 21.61 ? 349 PHE A N 1 ATOM 2771 C CA . PHE A 1 349 ? -10.678 -1.254 22.908 1.00 22.56 ? 349 PHE A CA 1 ATOM 2772 C C . PHE A 1 349 ? -11.082 0.179 22.460 1.00 23.57 ? 349 PHE A C 1 ATOM 2773 O O . PHE A 1 349 ? -10.243 1.111 22.475 1.00 23.19 ? 349 PHE A O 1 ATOM 2774 C CB . PHE A 1 349 ? -10.027 -2.034 21.740 1.00 22.49 ? 349 PHE A CB 1 ATOM 2775 C CG . PHE A 1 349 ? -10.781 -1.966 20.393 1.00 22.83 ? 349 PHE A CG 1 ATOM 2776 C CD1 . PHE A 1 349 ? -10.663 -0.864 19.536 1.00 22.69 ? 349 PHE A CD1 1 ATOM 2777 C CD2 . PHE A 1 349 ? -11.564 -3.037 19.956 1.00 22.67 ? 349 PHE A CD2 1 ATOM 2778 C CE1 . PHE A 1 349 ? -11.321 -0.846 18.309 1.00 22.70 ? 349 PHE A CE1 1 ATOM 2779 C CE2 . PHE A 1 349 ? -12.241 -2.993 18.744 1.00 21.05 ? 349 PHE A CE2 1 ATOM 2780 C CZ . PHE A 1 349 ? -12.113 -1.923 17.920 1.00 20.30 ? 349 PHE A CZ 1 ATOM 2781 N N . GLY A 1 350 ? -12.353 0.332 22.067 1.00 21.31 ? 350 GLY A N 1 ATOM 2782 C CA . GLY A 1 350 ? -12.854 1.611 21.620 1.00 23.53 ? 350 GLY A CA 1 ATOM 2783 C C . GLY A 1 350 ? -12.616 2.763 22.611 1.00 23.34 ? 350 GLY A C 1 ATOM 2784 O O . GLY A 1 350 ? -12.463 3.930 22.208 1.00 21.24 ? 350 GLY A O 1 ATOM 2785 N N . HIS A 1 351 ? -12.611 2.443 23.898 1.00 22.56 ? 351 HIS A N 1 ATOM 2786 C CA . HIS A 1 351 ? -12.373 3.449 24.921 1.00 24.53 ? 351 HIS A CA 1 ATOM 2787 C C . HIS A 1 351 ? -11.041 4.192 24.862 1.00 24.33 ? 351 HIS A C 1 ATOM 2788 O O . HIS A 1 351 ? -10.995 5.359 25.271 1.00 27.36 ? 351 HIS A O 1 ATOM 2789 C CB . HIS A 1 351 ? -12.565 2.861 26.294 1.00 24.45 ? 351 HIS A CB 1 ATOM 2790 C CG . HIS A 1 351 ? -13.929 2.349 26.515 1.00 25.05 ? 351 HIS A CG 1 ATOM 2791 N ND1 . HIS A 1 351 ? -14.230 1.455 27.497 1.00 24.44 ? 351 HIS A ND1 1 ATOM 2792 C CD2 . HIS A 1 351 ? -15.072 2.564 25.838 1.00 27.69 ? 351 HIS A CD2 1 ATOM 2793 C CE1 . HIS A 1 351 ? -15.527 1.169 27.445 1.00 26.00 ? 351 HIS A CE1 1 ATOM 2794 N NE2 . HIS A 1 351 ? -16.066 1.841 26.449 1.00 26.40 ? 351 HIS A NE2 1 ATOM 2795 N N . MET A 1 352 ? -10.012 3.529 24.345 1.00 22.75 ? 352 MET A N 1 ATOM 2796 C CA . MET A 1 352 ? -8.708 4.124 24.098 1.00 23.86 ? 352 MET A CA 1 ATOM 2797 C C . MET A 1 352 ? -8.644 5.003 22.810 1.00 23.86 ? 352 MET A C 1 ATOM 2798 O O . MET A 1 352 ? -7.651 5.715 22.574 1.00 21.76 ? 352 MET A O 1 ATOM 2799 C CB . MET A 1 352 ? -7.655 3.061 24.137 1.00 24.33 ? 352 MET A CB 1 ATOM 2800 C CG . MET A 1 352 ? -7.801 2.246 25.451 1.00 27.63 ? 352 MET A CG 1 ATOM 2801 S SD . MET A 1 352 ? -6.325 1.378 25.826 1.00 39.41 ? 352 MET A SD 1 ATOM 2802 C CE . MET A 1 352 ? -6.719 0.692 27.447 1.00 35.39 ? 352 MET A CE 1 ATOM 2803 N N . GLU A 1 353 ? -9.733 5.009 22.041 1.00 22.54 ? 353 GLU A N 1 ATOM 2804 C CA . GLU A 1 353 ? -9.832 5.827 20.791 1.00 22.66 ? 353 GLU A CA 1 ATOM 2805 C C . GLU A 1 353 ? -10.648 7.098 20.897 1.00 19.57 ? 353 GLU A C 1 ATOM 2806 O O . GLU A 1 353 ? -10.809 7.815 19.883 1.00 21.10 ? 353 GLU A O 1 ATOM 2807 C CB . GLU A 1 353 ? -10.425 4.968 19.656 1.00 22.34 ? 353 GLU A CB 1 ATOM 2808 C CG . GLU A 1 353 ? -9.708 3.656 19.419 1.00 22.03 ? 353 GLU A CG 1 ATOM 2809 C CD . GLU A 1 353 ? -10.327 2.784 18.323 1.00 28.93 ? 353 GLU A CD 1 ATOM 2810 O OE1 . GLU A 1 353 ? -11.558 3.011 17.880 1.00 28.27 ? 353 GLU A OE1 1 ATOM 2811 O OE2 . GLU A 1 353 ? -9.555 1.857 17.889 1.00 28.61 ? 353 GLU A OE2 1 ATOM 2812 N N . VAL A 1 354 ? -11.224 7.350 22.066 1.00 18.54 ? 354 VAL A N 1 ATOM 2813 C CA . VAL A 1 354 ? -12.091 8.491 22.265 1.00 19.86 ? 354 VAL A CA 1 ATOM 2814 C C . VAL A 1 354 ? -11.247 9.713 22.688 1.00 20.71 ? 354 VAL A C 1 ATOM 2815 O O . VAL A 1 354 ? -10.527 9.614 23.652 1.00 21.04 ? 354 VAL A O 1 ATOM 2816 C CB . VAL A 1 354 ? -13.146 8.202 23.333 1.00 19.74 ? 354 VAL A CB 1 ATOM 2817 C CG1 . VAL A 1 354 ? -14.050 9.416 23.591 1.00 20.95 ? 354 VAL A CG1 1 ATOM 2818 C CG2 . VAL A 1 354 ? -13.975 6.980 22.940 1.00 19.97 ? 354 VAL A CG2 1 ATOM 2819 N N . PRO A 1 355 ? -11.299 10.830 21.922 1.00 23.66 ? 355 PRO A N 1 ATOM 2820 C CA . PRO A 1 355 ? -10.538 12.043 22.254 1.00 22.81 ? 355 PRO A CA 1 ATOM 2821 C C . PRO A 1 355 ? -11.200 12.850 23.355 1.00 22.45 ? 355 PRO A C 1 ATOM 2822 O O . PRO A 1 355 ? -12.335 12.562 23.791 1.00 22.42 ? 355 PRO A O 1 ATOM 2823 C CB . PRO A 1 355 ? -10.590 12.849 20.945 1.00 24.29 ? 355 PRO A CB 1 ATOM 2824 C CG . PRO A 1 355 ? -11.959 12.539 20.401 1.00 23.27 ? 355 PRO A CG 1 ATOM 2825 C CD . PRO A 1 355 ? -12.089 11.022 20.676 1.00 23.52 ? 355 PRO A CD 1 ATOM 2826 N N . SER A 1 356 ? -10.499 13.870 23.799 1.00 21.10 ? 356 SER A N 1 ATOM 2827 C CA . SER A 1 356 ? -10.956 14.663 24.932 1.00 22.39 ? 356 SER A CA 1 ATOM 2828 C C . SER A 1 356 ? -11.964 15.739 24.553 1.00 23.63 ? 356 SER A C 1 ATOM 2829 O O . SER A 1 356 ? -12.684 16.260 25.441 1.00 24.10 ? 356 SER A O 1 ATOM 2830 C CB . SER A 1 356 ? -9.775 15.293 25.615 1.00 24.63 ? 356 SER A CB 1 ATOM 2831 O OG . SER A 1 356 ? -9.154 16.182 24.740 1.00 30.04 ? 356 SER A OG 1 ATOM 2832 N N . THR A 1 357 ? -12.072 16.019 23.255 1.00 23.52 ? 357 THR A N 1 ATOM 2833 C CA . THR A 1 357 ? -13.034 17.034 22.779 1.00 24.58 ? 357 THR A CA 1 ATOM 2834 C C . THR A 1 357 ? -13.805 16.601 21.552 1.00 24.39 ? 357 THR A C 1 ATOM 2835 O O . THR A 1 357 ? -13.399 15.715 20.846 1.00 24.67 ? 357 THR A O 1 ATOM 2836 C CB . THR A 1 357 ? -12.377 18.408 22.485 1.00 23.76 ? 357 THR A CB 1 ATOM 2837 O OG1 . THR A 1 357 ? -11.558 18.338 21.294 1.00 29.73 ? 357 THR A OG1 1 ATOM 2838 C CG2 . THR A 1 357 ? -11.534 18.883 23.688 1.00 25.90 ? 357 THR A CG2 1 ATOM 2839 N N . VAL A 1 358 ? -14.923 17.278 21.342 1.00 24.97 ? 358 VAL A N 1 ATOM 2840 C CA . VAL A 1 358 ? -15.745 17.164 20.177 1.00 26.46 ? 358 VAL A CA 1 ATOM 2841 C C . VAL A 1 358 ? -15.976 18.576 19.622 1.00 25.31 ? 358 VAL A C 1 ATOM 2842 O O . VAL A 1 358 ? -16.228 19.499 20.363 1.00 23.64 ? 358 VAL A O 1 ATOM 2843 C CB . VAL A 1 358 ? -17.071 16.454 20.546 1.00 26.32 ? 358 VAL A CB 1 ATOM 2844 C CG1 . VAL A 1 358 ? -18.007 16.431 19.353 1.00 28.97 ? 358 VAL A CG1 1 ATOM 2845 C CG2 . VAL A 1 358 ? -16.772 15.010 21.022 1.00 28.12 ? 358 VAL A CG2 1 ATOM 2846 N N . SER A 1 359 ? -15.832 18.715 18.317 1.00 25.78 ? 359 SER A N 1 ATOM 2847 C CA . SER A 1 359 ? -16.086 19.959 17.619 1.00 24.49 ? 359 SER A CA 1 ATOM 2848 C C . SER A 1 359 ? -17.368 19.941 16.809 1.00 25.88 ? 359 SER A C 1 ATOM 2849 O O . SER A 1 359 ? -17.788 18.917 16.219 1.00 25.61 ? 359 SER A O 1 ATOM 2850 C CB . SER A 1 359 ? -14.956 20.236 16.655 1.00 27.07 ? 359 SER A CB 1 ATOM 2851 O OG . SER A 1 359 ? -13.750 20.516 17.359 1.00 28.46 ? 359 SER A OG 1 ATOM 2852 N N . ARG A 1 360 ? -17.992 21.105 16.794 1.00 27.01 ? 360 ARG A N 1 ATOM 2853 C CA . ARG A 1 360 ? -18.965 21.501 15.770 1.00 26.95 ? 360 ARG A CA 1 ATOM 2854 C C . ARG A 1 360 ? -18.294 22.331 14.633 1.00 26.08 ? 360 ARG A C 1 ATOM 2855 O O . ARG A 1 360 ? -17.603 23.355 14.874 1.00 26.79 ? 360 ARG A O 1 ATOM 2856 C CB . ARG A 1 360 ? -20.082 22.311 16.444 1.00 25.50 ? 360 ARG A CB 1 ATOM 2857 C CG . ARG A 1 360 ? -21.009 21.462 17.347 1.00 28.47 ? 360 ARG A CG 1 ATOM 2858 C CD . ARG A 1 360 ? -20.561 21.407 18.801 1.00 26.00 ? 360 ARG A CD 1 ATOM 2859 N NE . ARG A 1 360 ? -20.549 22.759 19.390 1.00 28.03 ? 360 ARG A NE 1 ATOM 2860 C CZ . ARG A 1 360 ? -21.623 23.392 19.847 1.00 31.11 ? 360 ARG A CZ 1 ATOM 2861 N NH1 . ARG A 1 360 ? -22.849 22.823 19.813 1.00 32.41 ? 360 ARG A NH1 1 ATOM 2862 N NH2 . ARG A 1 360 ? -21.486 24.623 20.324 1.00 35.43 ? 360 ARG A NH2 1 ATOM 2863 N N . LEU A 1 361 ? -18.512 21.930 13.398 1.00 25.30 ? 361 LEU A N 1 ATOM 2864 C CA . LEU A 1 361 ? -17.933 22.631 12.246 1.00 26.56 ? 361 LEU A CA 1 ATOM 2865 C C . LEU A 1 361 ? -18.977 23.187 11.291 1.00 27.37 ? 361 LEU A C 1 ATOM 2866 O O . LEU A 1 361 ? -20.076 22.659 11.206 1.00 25.50 ? 361 LEU A O 1 ATOM 2867 C CB . LEU A 1 361 ? -16.920 21.776 11.528 1.00 27.07 ? 361 LEU A CB 1 ATOM 2868 C CG . LEU A 1 361 ? -15.840 21.119 12.373 1.00 29.17 ? 361 LEU A CG 1 ATOM 2869 C CD1 . LEU A 1 361 ? -15.019 20.230 11.450 1.00 28.10 ? 361 LEU A CD1 1 ATOM 2870 C CD2 . LEU A 1 361 ? -14.964 22.135 13.101 1.00 29.06 ? 361 LEU A CD2 1 ATOM 2871 N N . ASP A 1 362 ? -18.651 24.341 10.688 1.00 29.79 ? 362 ASP A N 1 ATOM 2872 C CA . ASP A 1 362 ? -19.527 25.006 9.722 1.00 32.28 ? 362 ASP A CA 1 ATOM 2873 C C . ASP A 1 362 ? -19.206 24.464 8.328 1.00 33.26 ? 362 ASP A C 1 ATOM 2874 O O . ASP A 1 362 ? -18.344 23.586 8.186 1.00 30.85 ? 362 ASP A O 1 ATOM 2875 C CB . ASP A 1 362 ? -19.424 26.546 9.794 1.00 29.76 ? 362 ASP A CB 1 ATOM 2876 C CG . ASP A 1 362 ? -18.142 27.117 9.200 1.00 33.23 ? 362 ASP A CG 1 ATOM 2877 O OD1 . ASP A 1 362 ? -17.282 26.445 8.537 1.00 30.19 ? 362 ASP A OD1 1 ATOM 2878 O OD2 . ASP A 1 362 ? -17.992 28.323 9.468 1.00 35.49 ? 362 ASP A OD2 1 ATOM 2879 N N . GLU A 1 363 ? -19.902 25.007 7.337 1.00 32.27 ? 363 GLU A N 1 ATOM 2880 C CA . GLU A 1 363 ? -19.791 24.593 5.950 1.00 34.32 ? 363 GLU A CA 1 ATOM 2881 C C . GLU A 1 363 ? -18.470 24.733 5.261 1.00 33.74 ? 363 GLU A C 1 ATOM 2882 O O . GLU A 1 363 ? -18.264 24.099 4.241 1.00 35.33 ? 363 GLU A O 1 ATOM 2883 C CB . GLU A 1 363 ? -20.814 25.341 5.133 1.00 37.39 ? 363 GLU A CB 1 ATOM 2884 C CG . GLU A 1 363 ? -22.198 24.782 5.371 1.00 39.59 ? 363 GLU A CG 1 ATOM 2885 C CD . GLU A 1 363 ? -23.079 25.652 6.186 1.00 45.91 ? 363 GLU A CD 1 ATOM 2886 O OE1 . GLU A 1 363 ? -22.572 26.352 7.153 1.00 44.66 ? 363 GLU A OE1 1 ATOM 2887 O OE2 . GLU A 1 363 ? -24.301 25.594 5.801 1.00 52.76 ? 363 GLU A OE2 1 ATOM 2888 N N . ASN A 1 364 ? -17.580 25.564 5.784 1.00 31.74 ? 364 ASN A N 1 ATOM 2889 C CA . ASN A 1 364 ? -16.177 25.564 5.339 1.00 33.82 ? 364 ASN A CA 1 ATOM 2890 C C . ASN A 1 364 ? -15.302 24.706 6.242 1.00 34.04 ? 364 ASN A C 1 ATOM 2891 O O . ASN A 1 364 ? -14.078 24.777 6.128 1.00 35.51 ? 364 ASN A O 1 ATOM 2892 C CB . ASN A 1 364 ? -15.612 26.991 5.236 1.00 34.07 ? 364 ASN A CB 1 ATOM 2893 C CG . ASN A 1 364 ? -16.371 27.837 4.189 1.00 38.52 ? 364 ASN A CG 1 ATOM 2894 O OD1 . ASN A 1 364 ? -16.718 27.346 3.124 1.00 41.27 ? 364 ASN A OD1 1 ATOM 2895 N ND2 . ASN A 1 364 ? -16.677 29.076 4.522 1.00 38.78 ? 364 ASN A ND2 1 ATOM 2896 N N . TYR A 1 365 ? -15.935 23.833 7.044 1.00 31.24 ? 365 TYR A N 1 ATOM 2897 C CA . TYR A 1 365 ? -15.277 22.975 8.025 1.00 31.30 ? 365 TYR A CA 1 ATOM 2898 C C . TYR A 1 365 ? -14.404 23.786 8.991 1.00 33.43 ? 365 TYR A C 1 ATOM 2899 O O . TYR A 1 365 ? -13.383 23.318 9.474 1.00 30.04 ? 365 TYR A O 1 ATOM 2900 C CB . TYR A 1 365 ? -14.572 21.792 7.342 1.00 30.04 ? 365 TYR A CB 1 ATOM 2901 C CG . TYR A 1 365 ? -15.542 20.669 6.855 1.00 27.40 ? 365 TYR A CG 1 ATOM 2902 C CD1 . TYR A 1 365 ? -16.404 20.865 5.791 1.00 28.24 ? 365 TYR A CD1 1 ATOM 2903 C CD2 . TYR A 1 365 ? -15.595 19.450 7.513 1.00 25.92 ? 365 TYR A CD2 1 ATOM 2904 C CE1 . TYR A 1 365 ? -17.285 19.872 5.369 1.00 28.76 ? 365 TYR A CE1 1 ATOM 2905 C CE2 . TYR A 1 365 ? -16.450 18.454 7.138 1.00 26.30 ? 365 TYR A CE2 1 ATOM 2906 C CZ . TYR A 1 365 ? -17.304 18.643 6.052 1.00 27.63 ? 365 TYR A CZ 1 ATOM 2907 O OH . TYR A 1 365 ? -18.138 17.605 5.675 1.00 27.52 ? 365 TYR A OH 1 ATOM 2908 N N . GLN A 1 366 ? -14.912 24.971 9.349 1.00 36.20 ? 366 GLN A N 1 ATOM 2909 C CA . GLN A 1 366 ? -14.295 25.831 10.346 1.00 40.67 ? 366 GLN A CA 1 ATOM 2910 C C . GLN A 1 366 ? -15.059 25.802 11.659 1.00 36.97 ? 366 GLN A C 1 ATOM 2911 O O . GLN A 1 366 ? -16.248 25.503 11.666 1.00 35.44 ? 366 GLN A O 1 ATOM 2912 C CB . GLN A 1 366 ? -14.258 27.261 9.832 1.00 46.37 ? 366 GLN A CB 1 ATOM 2913 C CG . GLN A 1 366 ? -13.483 27.411 8.536 1.00 50.61 ? 366 GLN A CG 1 ATOM 2914 C CD . GLN A 1 366 ? -11.974 27.367 8.716 1.00 56.86 ? 366 GLN A CD 1 ATOM 2915 O OE1 . GLN A 1 366 ? -11.449 26.937 9.738 1.00 61.30 ? 366 GLN A OE1 1 ATOM 2916 N NE2 . GLN A 1 366 ? -11.271 27.812 7.700 1.00 69.03 ? 366 GLN A NE2 1 ATOM 2917 N N . PRO A 1 367 ? -14.385 26.170 12.773 1.00 39.79 ? 367 PRO A N 1 ATOM 2918 C CA . PRO A 1 367 ? -15.090 26.079 14.063 1.00 37.38 ? 367 PRO A CA 1 ATOM 2919 C C . PRO A 1 367 ? -16.415 26.829 14.013 1.00 37.07 ? 367 PRO A C 1 ATOM 2920 O O . PRO A 1 367 ? -16.450 27.939 13.565 1.00 40.79 ? 367 PRO A O 1 ATOM 2921 C CB . PRO A 1 367 ? -14.107 26.691 15.059 1.00 38.33 ? 367 PRO A CB 1 ATOM 2922 C CG . PRO A 1 367 ? -12.754 26.455 14.440 1.00 38.21 ? 367 PRO A CG 1 ATOM 2923 C CD . PRO A 1 367 ? -12.953 26.521 12.943 1.00 37.00 ? 367 PRO A CD 1 ATOM 2924 N N . TRP A 1 368 ? -17.497 26.179 14.402 1.00 35.18 ? 368 TRP A N 1 ATOM 2925 C CA . TRP A 1 368 ? -18.843 26.730 14.318 1.00 34.88 ? 368 TRP A CA 1 ATOM 2926 C C . TRP A 1 368 ? -19.133 27.480 15.611 1.00 38.01 ? 368 TRP A C 1 ATOM 2927 O O . TRP A 1 368 ? -19.255 26.873 16.660 1.00 31.61 ? 368 TRP A O 1 ATOM 2928 C CB . TRP A 1 368 ? -19.798 25.567 14.163 1.00 35.76 ? 368 TRP A CB 1 ATOM 2929 C CG . TRP A 1 368 ? -21.244 25.862 13.967 1.00 36.64 ? 368 TRP A CG 1 ATOM 2930 C CD1 . TRP A 1 368 ? -21.852 26.123 12.799 1.00 37.42 ? 368 TRP A CD1 1 ATOM 2931 C CD2 . TRP A 1 368 ? -22.280 25.788 14.958 1.00 36.83 ? 368 TRP A CD2 1 ATOM 2932 N NE1 . TRP A 1 368 ? -23.187 26.276 12.990 1.00 40.34 ? 368 TRP A NE1 1 ATOM 2933 C CE2 . TRP A 1 368 ? -23.482 26.084 14.311 1.00 37.94 ? 368 TRP A CE2 1 ATOM 2934 C CE3 . TRP A 1 368 ? -22.293 25.546 16.344 1.00 38.11 ? 368 TRP A CE3 1 ATOM 2935 C CZ2 . TRP A 1 368 ? -24.720 26.149 14.990 1.00 39.89 ? 368 TRP A CZ2 1 ATOM 2936 C CZ3 . TRP A 1 368 ? -23.519 25.608 17.031 1.00 37.64 ? 368 TRP A CZ3 1 ATOM 2937 C CH2 . TRP A 1 368 ? -24.712 25.917 16.349 1.00 41.07 ? 368 TRP A CH2 1 ATOM 2938 N N . GLY A 1 369 ? -19.178 28.804 15.538 1.00 38.03 ? 369 GLY A N 1 ATOM 2939 C CA . GLY A 1 369 ? -19.570 29.629 16.679 1.00 42.54 ? 369 GLY A CA 1 ATOM 2940 C C . GLY A 1 369 ? -18.501 29.759 17.764 1.00 44.07 ? 369 GLY A C 1 ATOM 2941 O O . GLY A 1 369 ? -17.414 29.162 17.651 1.00 46.41 ? 369 GLY A O 1 ATOM 2942 N N . PRO A 1 370 ? -18.797 30.549 18.823 1.00 40.25 ? 370 PRO A N 1 ATOM 2943 C CA . PRO A 1 370 ? -17.803 30.789 19.891 1.00 41.00 ? 370 PRO A CA 1 ATOM 2944 C C . PRO A 1 370 ? -17.535 29.552 20.821 1.00 37.88 ? 370 PRO A C 1 ATOM 2945 O O . PRO A 1 370 ? -16.486 29.442 21.459 1.00 43.52 ? 370 PRO A O 1 ATOM 2946 C CB . PRO A 1 370 ? -18.401 31.993 20.662 1.00 38.34 ? 370 PRO A CB 1 ATOM 2947 C CG . PRO A 1 370 ? -19.848 31.983 20.362 1.00 38.37 ? 370 PRO A CG 1 ATOM 2948 C CD . PRO A 1 370 ? -20.103 31.166 19.123 1.00 38.44 ? 370 PRO A CD 1 ATOM 2949 N N . GLU A 1 371 ? -18.486 28.638 20.890 1.00 37.50 ? 371 GLU A N 1 ATOM 2950 C CA . GLU A 1 371 ? -18.331 27.429 21.684 1.00 33.98 ? 371 GLU A CA 1 ATOM 2951 C C . GLU A 1 371 ? -18.194 26.232 20.765 1.00 30.76 ? 371 GLU A C 1 ATOM 2952 O O . GLU A 1 371 ? -18.999 25.294 20.816 1.00 32.40 ? 371 GLU A O 1 ATOM 2953 C CB . GLU A 1 371 ? -19.542 27.328 22.607 1.00 34.21 ? 371 GLU A CB 1 ATOM 2954 C CG . GLU A 1 371 ? -19.501 28.468 23.600 1.00 36.42 ? 371 GLU A CG 1 ATOM 2955 C CD . GLU A 1 371 ? -20.755 28.618 24.413 1.00 44.74 ? 371 GLU A CD 1 ATOM 2956 O OE1 . GLU A 1 371 ? -21.742 27.874 24.180 1.00 47.78 ? 371 GLU A OE1 1 ATOM 2957 O OE2 . GLU A 1 371 ? -20.715 29.506 25.302 1.00 52.07 ? 371 GLU A OE2 1 ATOM 2958 N N . ALA A 1 372 ? -17.206 26.279 19.884 1.00 28.12 ? 372 ALA A N 1 ATOM 2959 C CA . ALA A 1 372 ? -17.194 25.317 18.775 1.00 29.49 ? 372 ALA A CA 1 ATOM 2960 C C . ALA A 1 372 ? -16.698 23.966 19.268 1.00 32.10 ? 372 ALA A C 1 ATOM 2961 O O . ALA A 1 372 ? -17.164 22.906 18.794 1.00 32.02 ? 372 ALA A O 1 ATOM 2962 C CB . ALA A 1 372 ? -16.298 25.781 17.628 1.00 30.95 ? 372 ALA A CB 1 ATOM 2963 N N . GLU A 1 373 ? -15.701 24.044 20.135 1.00 27.92 ? 373 GLU A N 1 ATOM 2964 C CA . GLU A 1 373 ? -15.020 22.902 20.651 1.00 33.31 ? 373 GLU A CA 1 ATOM 2965 C C . GLU A 1 373 ? -15.371 22.683 22.142 1.00 31.26 ? 373 GLU A C 1 ATOM 2966 O O . GLU A 1 373 ? -15.129 23.556 23.020 1.00 28.21 ? 373 GLU A O 1 ATOM 2967 C CB . GLU A 1 373 ? -13.512 23.039 20.426 1.00 36.22 ? 373 GLU A CB 1 ATOM 2968 C CG . GLU A 1 373 ? -12.861 21.678 20.612 1.00 47.06 ? 373 GLU A CG 1 ATOM 2969 C CD . GLU A 1 373 ? -11.375 21.751 20.780 1.00 53.66 ? 373 GLU A CD 1 ATOM 2970 O OE1 . GLU A 1 373 ? -10.963 22.203 21.834 1.00 68.57 ? 373 GLU A OE1 1 ATOM 2971 O OE2 . GLU A 1 373 ? -10.629 21.333 19.886 1.00 61.13 ? 373 GLU A OE2 1 ATOM 2972 N N . LEU A 1 374 ? -15.885 21.481 22.399 1.00 28.78 ? 374 LEU A N 1 ATOM 2973 C CA . LEU A 1 374 ? -16.503 21.123 23.658 1.00 28.68 ? 374 LEU A CA 1 ATOM 2974 C C . LEU A 1 374 ? -15.763 19.959 24.343 1.00 27.94 ? 374 LEU A C 1 ATOM 2975 O O . LEU A 1 374 ? -15.331 19.014 23.689 1.00 24.73 ? 374 LEU A O 1 ATOM 2976 C CB . LEU A 1 374 ? -17.966 20.736 23.420 1.00 27.20 ? 374 LEU A CB 1 ATOM 2977 C CG . LEU A 1 374 ? -18.860 21.764 22.692 1.00 28.65 ? 374 LEU A CG 1 ATOM 2978 C CD1 . LEU A 1 374 ? -20.252 21.215 22.522 1.00 30.27 ? 374 LEU A CD1 1 ATOM 2979 C CD2 . LEU A 1 374 ? -18.962 23.101 23.442 1.00 30.41 ? 374 LEU A CD2 1 ATOM 2980 N N . PRO A 1 375 ? -15.641 20.007 25.683 1.00 25.76 ? 375 PRO A N 1 ATOM 2981 C CA . PRO A 1 375 ? -15.042 18.840 26.319 1.00 22.92 ? 375 PRO A CA 1 ATOM 2982 C C . PRO A 1 375 ? -16.020 17.658 26.334 1.00 23.80 ? 375 PRO A C 1 ATOM 2983 O O . PRO A 1 375 ? -17.235 17.807 26.546 1.00 23.60 ? 375 PRO A O 1 ATOM 2984 C CB . PRO A 1 375 ? -14.719 19.315 27.731 1.00 23.04 ? 375 PRO A CB 1 ATOM 2985 C CG . PRO A 1 375 ? -14.994 20.750 27.745 1.00 24.17 ? 375 PRO A CG 1 ATOM 2986 C CD . PRO A 1 375 ? -15.949 21.056 26.648 1.00 24.50 ? 375 PRO A CD 1 ATOM 2987 N N . LEU A 1 376 ? -15.478 16.477 26.123 1.00 25.01 ? 376 LEU A N 1 ATOM 2988 C CA . LEU A 1 376 ? -16.321 15.279 26.039 1.00 22.75 ? 376 LEU A CA 1 ATOM 2989 C C . LEU A 1 376 ? -17.169 15.129 27.303 1.00 23.79 ? 376 LEU A C 1 ATOM 2990 O O . LEU A 1 376 ? -18.332 14.770 27.194 1.00 24.46 ? 376 LEU A O 1 ATOM 2991 C CB . LEU A 1 376 ? -15.425 14.089 25.874 1.00 24.43 ? 376 LEU A CB 1 ATOM 2992 C CG . LEU A 1 376 ? -16.097 12.741 25.796 1.00 26.54 ? 376 LEU A CG 1 ATOM 2993 C CD1 . LEU A 1 376 ? -16.848 12.602 24.451 1.00 29.25 ? 376 LEU A CD1 1 ATOM 2994 C CD2 . LEU A 1 376 ? -15.034 11.701 26.052 1.00 27.41 ? 376 LEU A CD2 1 ATOM 2995 N N . HIS A 1 377 ? -16.650 15.466 28.494 1.00 22.76 ? 377 HIS A N 1 ATOM 2996 C CA . HIS A 1 377 ? -17.431 15.232 29.685 1.00 23.36 ? 377 HIS A CA 1 ATOM 2997 C C . HIS A 1 377 ? -18.756 15.971 29.756 1.00 25.38 ? 377 HIS A C 1 ATOM 2998 O O . HIS A 1 377 ? -19.687 15.431 30.361 1.00 24.99 ? 377 HIS A O 1 ATOM 2999 C CB . HIS A 1 377 ? -16.649 15.356 30.984 1.00 25.52 ? 377 HIS A CB 1 ATOM 3000 C CG . HIS A 1 377 ? -16.453 16.765 31.422 1.00 25.52 ? 377 HIS A CG 1 ATOM 3001 N ND1 . HIS A 1 377 ? -15.472 17.562 30.893 1.00 28.24 ? 377 HIS A ND1 1 ATOM 3002 C CD2 . HIS A 1 377 ? -17.153 17.545 32.276 1.00 27.85 ? 377 HIS A CD2 1 ATOM 3003 C CE1 . HIS A 1 377 ? -15.564 18.774 31.404 1.00 25.60 ? 377 HIS A CE1 1 ATOM 3004 N NE2 . HIS A 1 377 ? -16.537 18.775 32.287 1.00 27.99 ? 377 HIS A NE2 1 ATOM 3005 N N . THR A 1 378 ? -18.885 17.130 29.114 1.00 25.50 ? 378 THR A N 1 ATOM 3006 C CA . THR A 1 378 ? -20.118 17.923 29.116 1.00 25.94 ? 378 THR A CA 1 ATOM 3007 C C . THR A 1 378 ? -21.171 17.378 28.192 1.00 27.48 ? 378 THR A C 1 ATOM 3008 O O . THR A 1 378 ? -22.209 17.899 28.033 1.00 27.81 ? 378 THR A O 1 ATOM 3009 C CB . THR A 1 378 ? -19.889 19.379 28.640 1.00 27.62 ? 378 THR A CB 1 ATOM 3010 O OG1 . THR A 1 378 ? -19.604 19.417 27.245 1.00 26.25 ? 378 THR A OG1 1 ATOM 3011 C CG2 . THR A 1 378 ? -18.778 20.039 29.399 1.00 30.82 ? 378 THR A CG2 1 ATOM 3012 N N . LEU A 1 379 ? -20.824 16.313 27.498 1.00 28.14 ? 379 LEU A N 1 ATOM 3013 C CA . LEU A 1 379 ? -21.667 15.686 26.497 1.00 28.70 ? 379 LEU A CA 1 ATOM 3014 C C . LEU A 1 379 ? -22.328 14.406 26.919 1.00 26.92 ? 379 LEU A C 1 ATOM 3015 O O . LEU A 1 379 ? -23.107 13.862 26.203 1.00 24.37 ? 379 LEU A O 1 ATOM 3016 C CB . LEU A 1 379 ? -20.867 15.429 25.229 1.00 31.37 ? 379 LEU A CB 1 ATOM 3017 C CG . LEU A 1 379 ? -20.150 16.627 24.668 1.00 32.64 ? 379 LEU A CG 1 ATOM 3018 C CD1 . LEU A 1 379 ? -19.348 16.277 23.438 1.00 35.77 ? 379 LEU A CD1 1 ATOM 3019 C CD2 . LEU A 1 379 ? -21.201 17.640 24.363 1.00 35.70 ? 379 LEU A CD2 1 ATOM 3020 N N . PHE A 1 380 ? -21.994 13.897 28.071 1.00 25.42 ? 380 PHE A N 1 ATOM 3021 C CA . PHE A 1 380 ? -22.656 12.710 28.445 1.00 25.65 ? 380 PHE A CA 1 ATOM 3022 C C . PHE A 1 380 ? -24.101 13.053 28.736 1.00 26.45 ? 380 PHE A C 1 ATOM 3023 O O . PHE A 1 380 ? -24.375 13.991 29.458 1.00 22.86 ? 380 PHE A O 1 ATOM 3024 C CB . PHE A 1 380 ? -21.984 12.177 29.690 1.00 24.85 ? 380 PHE A CB 1 ATOM 3025 C CG . PHE A 1 380 ? -20.524 11.857 29.484 1.00 24.54 ? 380 PHE A CG 1 ATOM 3026 C CD1 . PHE A 1 380 ? -20.108 11.116 28.387 1.00 24.59 ? 380 PHE A CD1 1 ATOM 3027 C CD2 . PHE A 1 380 ? -19.569 12.272 30.400 1.00 24.02 ? 380 PHE A CD2 1 ATOM 3028 C CE1 . PHE A 1 380 ? -18.785 10.846 28.191 1.00 25.45 ? 380 PHE A CE1 1 ATOM 3029 C CE2 . PHE A 1 380 ? -18.258 11.989 30.214 1.00 24.43 ? 380 PHE A CE2 1 ATOM 3030 C CZ . PHE A 1 380 ? -17.855 11.281 29.103 1.00 26.22 ? 380 PHE A CZ 1 ATOM 3031 N N . PHE A 1 381 ? -25.006 12.280 28.161 1.00 26.24 ? 381 PHE A N 1 ATOM 3032 C CA . PHE A 1 381 ? -26.428 12.444 28.403 1.00 28.46 ? 381 PHE A CA 1 ATOM 3033 C C . PHE A 1 381 ? -26.921 13.849 28.035 1.00 29.62 ? 381 PHE A C 1 ATOM 3034 O O . PHE A 1 381 ? -27.866 14.402 28.667 1.00 30.64 ? 381 PHE A O 1 ATOM 3035 C CB . PHE A 1 381 ? -26.817 11.993 29.819 1.00 31.09 ? 381 PHE A CB 1 ATOM 3036 C CG . PHE A 1 381 ? -26.729 10.506 29.991 1.00 33.53 ? 381 PHE A CG 1 ATOM 3037 C CD1 . PHE A 1 381 ? -27.680 9.678 29.419 1.00 36.18 ? 381 PHE A CD1 1 ATOM 3038 C CD2 . PHE A 1 381 ? -25.662 9.935 30.614 1.00 33.02 ? 381 PHE A CD2 1 ATOM 3039 C CE1 . PHE A 1 381 ? -27.586 8.285 29.528 1.00 36.92 ? 381 PHE A CE1 1 ATOM 3040 C CE2 . PHE A 1 381 ? -25.572 8.562 30.739 1.00 34.02 ? 381 PHE A CE2 1 ATOM 3041 C CZ . PHE A 1 381 ? -26.529 7.728 30.196 1.00 33.14 ? 381 PHE A CZ 1 ATOM 3042 N N . ASN A 1 382 ? -26.341 14.369 26.949 1.00 25.60 ? 382 ASN A N 1 ATOM 3043 C CA . ASN A 1 382 ? -26.629 15.723 26.474 1.00 27.09 ? 382 ASN A CA 1 ATOM 3044 C C . ASN A 1 382 ? -27.314 15.692 25.107 1.00 24.76 ? 382 ASN A C 1 ATOM 3045 O O . ASN A 1 382 ? -26.683 15.418 24.072 1.00 26.80 ? 382 ASN A O 1 ATOM 3046 C CB . ASN A 1 382 ? -25.320 16.515 26.457 1.00 25.86 ? 382 ASN A CB 1 ATOM 3047 C CG . ASN A 1 382 ? -25.506 17.957 26.127 1.00 27.52 ? 382 ASN A CG 1 ATOM 3048 O OD1 . ASN A 1 382 ? -26.440 18.350 25.437 1.00 28.07 ? 382 ASN A OD1 1 ATOM 3049 N ND2 . ASN A 1 382 ? -24.598 18.756 26.595 1.00 27.60 ? 382 ASN A ND2 1 ATOM 3050 N N . THR A 1 383 ? -28.627 15.942 25.154 1.00 25.46 ? 383 THR A N 1 ATOM 3051 C CA . THR A 1 383 ? -29.497 16.147 23.983 1.00 24.33 ? 383 THR A CA 1 ATOM 3052 C C . THR A 1 383 ? -29.770 17.649 23.676 1.00 24.42 ? 383 THR A C 1 ATOM 3053 O O . THR A 1 383 ? -30.026 18.023 22.523 1.00 21.98 ? 383 THR A O 1 ATOM 3054 C CB . THR A 1 383 ? -30.817 15.393 24.179 1.00 25.22 ? 383 THR A CB 1 ATOM 3055 O OG1 . THR A 1 383 ? -31.497 15.839 25.381 1.00 25.97 ? 383 THR A OG1 1 ATOM 3056 C CG2 . THR A 1 383 ? -30.567 13.847 24.238 1.00 28.98 ? 383 THR A CG2 1 ATOM 3057 N N . TRP A 1 384 ? -29.665 18.504 24.690 1.00 25.01 ? 384 TRP A N 1 ATOM 3058 C CA . TRP A 1 384 ? -29.956 19.930 24.505 1.00 26.99 ? 384 TRP A CA 1 ATOM 3059 C C . TRP A 1 384 ? -29.016 20.584 23.531 1.00 27.56 ? 384 TRP A C 1 ATOM 3060 O O . TRP A 1 384 ? -29.450 21.404 22.772 1.00 30.14 ? 384 TRP A O 1 ATOM 3061 C CB . TRP A 1 384 ? -30.022 20.691 25.813 1.00 25.82 ? 384 TRP A CB 1 ATOM 3062 C CG . TRP A 1 384 ? -28.746 21.014 26.447 1.00 26.30 ? 384 TRP A CG 1 ATOM 3063 C CD1 . TRP A 1 384 ? -28.149 20.317 27.418 1.00 29.70 ? 384 TRP A CD1 1 ATOM 3064 C CD2 . TRP A 1 384 ? -27.900 22.138 26.180 1.00 26.64 ? 384 TRP A CD2 1 ATOM 3065 N NE1 . TRP A 1 384 ? -26.983 20.926 27.797 1.00 27.49 ? 384 TRP A NE1 1 ATOM 3066 C CE2 . TRP A 1 384 ? -26.803 22.044 27.041 1.00 29.14 ? 384 TRP A CE2 1 ATOM 3067 C CE3 . TRP A 1 384 ? -27.964 23.210 25.287 1.00 28.43 ? 384 TRP A CE3 1 ATOM 3068 C CZ2 . TRP A 1 384 ? -25.771 22.988 27.053 1.00 29.45 ? 384 TRP A CZ2 1 ATOM 3069 C CZ3 . TRP A 1 384 ? -26.956 24.150 25.294 1.00 29.34 ? 384 TRP A CZ3 1 ATOM 3070 C CH2 . TRP A 1 384 ? -25.870 24.033 26.157 1.00 31.33 ? 384 TRP A CH2 1 ATOM 3071 N N . ARG A 1 385 ? -27.756 20.219 23.546 1.00 25.83 ? 385 ARG A N 1 ATOM 3072 C CA . ARG A 1 385 ? -26.817 20.663 22.523 1.00 31.42 ? 385 ARG A CA 1 ATOM 3073 C C . ARG A 1 385 ? -27.112 20.294 21.074 1.00 31.19 ? 385 ARG A C 1 ATOM 3074 O O . ARG A 1 385 ? -26.497 20.855 20.178 1.00 32.89 ? 385 ARG A O 1 ATOM 3075 C CB . ARG A 1 385 ? -25.428 20.137 22.827 1.00 32.41 ? 385 ARG A CB 1 ATOM 3076 C CG . ARG A 1 385 ? -24.782 20.853 23.968 1.00 33.82 ? 385 ARG A CG 1 ATOM 3077 C CD . ARG A 1 385 ? -24.103 22.106 23.481 1.00 35.09 ? 385 ARG A CD 1 ATOM 3078 N NE . ARG A 1 385 ? -23.178 22.571 24.504 1.00 32.14 ? 385 ARG A NE 1 ATOM 3079 C CZ . ARG A 1 385 ? -22.686 23.791 24.572 1.00 33.35 ? 385 ARG A CZ 1 ATOM 3080 N NH1 . ARG A 1 385 ? -22.988 24.695 23.660 1.00 31.59 ? 385 ARG A NH1 1 ATOM 3081 N NH2 . ARG A 1 385 ? -21.874 24.088 25.565 1.00 32.57 ? 385 ARG A NH2 1 ATOM 3082 N N . ILE A 1 386 ? -27.940 19.281 20.848 1.00 26.93 ? 386 ILE A N 1 ATOM 3083 C CA . ILE A 1 386 ? -28.465 19.056 19.524 1.00 28.88 ? 386 ILE A CA 1 ATOM 3084 C C . ILE A 1 386 ? -29.687 19.923 19.248 1.00 29.05 ? 386 ILE A C 1 ATOM 3085 O O . ILE A 1 386 ? -29.753 20.636 18.254 1.00 28.74 ? 386 ILE A O 1 ATOM 3086 C CB . ILE A 1 386 ? -28.802 17.572 19.291 1.00 30.82 ? 386 ILE A CB 1 ATOM 3087 C CG1 . ILE A 1 386 ? -27.526 16.744 19.444 1.00 28.61 ? 386 ILE A CG1 1 ATOM 3088 C CG2 . ILE A 1 386 ? -29.431 17.398 17.914 1.00 32.49 ? 386 ILE A CG2 1 ATOM 3089 C CD1 . ILE A 1 386 ? -27.739 15.252 19.398 1.00 29.85 ? 386 ILE A CD1 1 ATOM 3090 N N . ILE A 1 387 ? -30.661 19.858 20.138 1.00 30.36 ? 387 ILE A N 1 ATOM 3091 C CA . ILE A 1 387 ? -31.979 20.434 19.868 1.00 31.40 ? 387 ILE A CA 1 ATOM 3092 C C . ILE A 1 387 ? -32.011 21.939 20.026 1.00 32.91 ? 387 ILE A C 1 ATOM 3093 O O . ILE A 1 387 ? -32.715 22.602 19.292 1.00 27.60 ? 387 ILE A O 1 ATOM 3094 C CB . ILE A 1 387 ? -33.037 19.713 20.726 1.00 37.90 ? 387 ILE A CB 1 ATOM 3095 C CG1 . ILE A 1 387 ? -33.229 18.328 20.070 1.00 40.95 ? 387 ILE A CG1 1 ATOM 3096 C CG2 . ILE A 1 387 ? -34.344 20.527 20.852 1.00 40.73 ? 387 ILE A CG2 1 ATOM 3097 C CD1 . ILE A 1 387 ? -34.288 17.505 20.678 1.00 48.19 ? 387 ILE A CD1 1 ATOM 3098 N N . LYS A 1 388 ? -31.231 22.481 20.955 1.00 31.46 ? 388 LYS A N 1 ATOM 3099 C CA . LYS A 1 388 ? -31.161 23.910 21.102 1.00 33.76 ? 388 LYS A CA 1 ATOM 3100 C C . LYS A 1 388 ? -29.890 24.571 20.566 1.00 36.24 ? 388 LYS A C 1 ATOM 3101 O O . LYS A 1 388 ? -29.776 25.786 20.678 1.00 37.74 ? 388 LYS A O 1 ATOM 3102 C CB . LYS A 1 388 ? -31.486 24.229 22.558 1.00 37.71 ? 388 LYS A CB 1 ATOM 3103 C CG . LYS A 1 388 ? -32.840 23.602 22.969 1.00 38.56 ? 388 LYS A CG 1 ATOM 3104 C CD . LYS A 1 388 ? -33.735 24.553 23.723 1.00 46.67 ? 388 LYS A CD 1 ATOM 3105 C CE . LYS A 1 388 ? -35.052 23.926 24.167 1.00 50.34 ? 388 LYS A CE 1 ATOM 3106 N NZ . LYS A 1 388 ? -36.207 24.489 23.418 1.00 53.74 ? 388 LYS A NZ 1 ATOM 3107 N N . ASP A 1 389 ? -28.976 23.831 19.912 1.00 31.27 ? 389 ASP A N 1 ATOM 3108 C CA . ASP A 1 389 ? -27.682 24.415 19.484 1.00 34.51 ? 389 ASP A CA 1 ATOM 3109 C C . ASP A 1 389 ? -27.102 23.906 18.182 1.00 33.74 ? 389 ASP A C 1 ATOM 3110 O O . ASP A 1 389 ? -25.944 23.551 18.120 1.00 34.97 ? 389 ASP A O 1 ATOM 3111 C CB . ASP A 1 389 ? -26.654 24.236 20.615 1.00 41.42 ? 389 ASP A CB 1 ATOM 3112 C CG . ASP A 1 389 ? -25.515 25.272 20.578 1.00 43.66 ? 389 ASP A CG 1 ATOM 3113 O OD1 . ASP A 1 389 ? -25.623 26.312 19.875 1.00 50.34 ? 389 ASP A OD1 1 ATOM 3114 O OD2 . ASP A 1 389 ? -24.515 25.024 21.275 1.00 38.60 ? 389 ASP A OD2 1 ATOM 3115 N N . GLY A 1 390 ? -27.926 23.842 17.142 1.00 30.89 ? 390 GLY A N 1 ATOM 3116 C CA . GLY A 1 390 ? -27.457 23.682 15.758 1.00 30.29 ? 390 GLY A CA 1 ATOM 3117 C C . GLY A 1 390 ? -27.842 22.389 15.020 1.00 28.99 ? 390 GLY A C 1 ATOM 3118 O O . GLY A 1 390 ? -27.492 22.226 13.846 1.00 32.29 ? 390 GLY A O 1 ATOM 3119 N N . GLY A 1 391 ? -28.556 21.478 15.685 1.00 28.33 ? 391 GLY A N 1 ATOM 3120 C CA . GLY A 1 391 ? -28.883 20.174 15.105 1.00 29.40 ? 391 GLY A CA 1 ATOM 3121 C C . GLY A 1 391 ? -27.651 19.303 14.921 1.00 28.54 ? 391 GLY A C 1 ATOM 3122 O O . GLY A 1 391 ? -26.616 19.542 15.574 1.00 29.28 ? 391 GLY A O 1 ATOM 3123 N N . ILE A 1 392 ? -27.763 18.238 14.109 1.00 25.04 ? 392 ILE A N 1 ATOM 3124 C CA . ILE A 1 392 ? -26.673 17.283 14.030 1.00 25.70 ? 392 ILE A CA 1 ATOM 3125 C C . ILE A 1 392 ? -25.569 17.613 12.987 1.00 26.89 ? 392 ILE A C 1 ATOM 3126 O O . ILE A 1 392 ? -24.482 17.026 13.052 1.00 25.06 ? 392 ILE A O 1 ATOM 3127 C CB . ILE A 1 392 ? -27.143 15.807 13.800 1.00 26.14 ? 392 ILE A CB 1 ATOM 3128 C CG1 . ILE A 1 392 ? -27.737 15.625 12.392 1.00 24.94 ? 392 ILE A CG1 1 ATOM 3129 C CG2 . ILE A 1 392 ? -28.109 15.316 14.903 1.00 27.30 ? 392 ILE A CG2 1 ATOM 3130 C CD1 . ILE A 1 392 ? -27.912 14.168 12.016 1.00 26.02 ? 392 ILE A CD1 1 ATOM 3131 N N . ASP A 1 393 ? -25.828 18.499 12.026 1.00 25.28 ? 393 ASP A N 1 ATOM 3132 C CA . ASP A 1 393 ? -24.874 18.687 10.948 1.00 27.49 ? 393 ASP A CA 1 ATOM 3133 C C . ASP A 1 393 ? -23.508 19.195 11.387 1.00 25.34 ? 393 ASP A C 1 ATOM 3134 O O . ASP A 1 393 ? -22.503 18.701 10.891 1.00 26.60 ? 393 ASP A O 1 ATOM 3135 C CB . ASP A 1 393 ? -25.456 19.575 9.837 1.00 30.64 ? 393 ASP A CB 1 ATOM 3136 C CG . ASP A 1 393 ? -26.551 18.881 9.043 1.00 37.40 ? 393 ASP A CG 1 ATOM 3137 O OD1 . ASP A 1 393 ? -26.931 17.725 9.359 1.00 42.50 ? 393 ASP A OD1 1 ATOM 3138 O OD2 . ASP A 1 393 ? -27.072 19.495 8.097 1.00 45.20 ? 393 ASP A OD2 1 ATOM 3139 N N . PRO A 1 394 ? -23.454 20.177 12.305 1.00 26.85 ? 394 PRO A N 1 ATOM 3140 C CA . PRO A 1 394 ? -22.117 20.631 12.712 1.00 26.25 ? 394 PRO A CA 1 ATOM 3141 C C . PRO A 1 394 ? -21.301 19.491 13.417 1.00 25.83 ? 394 PRO A C 1 ATOM 3142 O O . PRO A 1 394 ? -20.071 19.461 13.296 1.00 23.11 ? 394 PRO A O 1 ATOM 3143 C CB . PRO A 1 394 ? -22.405 21.815 13.676 1.00 25.50 ? 394 PRO A CB 1 ATOM 3144 C CG . PRO A 1 394 ? -23.782 22.255 13.326 1.00 27.16 ? 394 PRO A CG 1 ATOM 3145 C CD . PRO A 1 394 ? -24.501 20.924 13.029 1.00 26.99 ? 394 PRO A CD 1 ATOM 3146 N N . LEU A 1 395 ? -22.003 18.573 14.080 1.00 22.35 ? 395 LEU A N 1 ATOM 3147 C CA . LEU A 1 395 ? -21.376 17.414 14.746 1.00 25.58 ? 395 LEU A CA 1 ATOM 3148 C C . LEU A 1 395 ? -20.938 16.354 13.743 1.00 25.91 ? 395 LEU A C 1 ATOM 3149 O O . LEU A 1 395 ? -19.895 15.746 13.905 1.00 28.06 ? 395 LEU A O 1 ATOM 3150 C CB . LEU A 1 395 ? -22.324 16.826 15.784 1.00 25.09 ? 395 LEU A CB 1 ATOM 3151 C CG . LEU A 1 395 ? -22.701 17.713 16.992 1.00 25.21 ? 395 LEU A CG 1 ATOM 3152 C CD1 . LEU A 1 395 ? -23.917 17.155 17.648 1.00 27.21 ? 395 LEU A CD1 1 ATOM 3153 C CD2 . LEU A 1 395 ? -21.599 17.767 18.028 1.00 26.34 ? 395 LEU A CD2 1 ATOM 3154 N N . VAL A 1 396 ? -21.742 16.127 12.705 1.00 25.96 ? 396 VAL A N 1 ATOM 3155 C CA . VAL A 1 396 ? -21.392 15.159 11.675 1.00 24.14 ? 396 VAL A CA 1 ATOM 3156 C C . VAL A 1 396 ? -20.132 15.635 10.906 1.00 24.01 ? 396 VAL A C 1 ATOM 3157 O O . VAL A 1 396 ? -19.264 14.838 10.565 1.00 24.64 ? 396 VAL A O 1 ATOM 3158 C CB . VAL A 1 396 ? -22.565 14.897 10.703 1.00 23.08 ? 396 VAL A CB 1 ATOM 3159 C CG1 . VAL A 1 396 ? -22.141 13.996 9.524 1.00 23.20 ? 396 VAL A CG1 1 ATOM 3160 C CG2 . VAL A 1 396 ? -23.745 14.275 11.414 1.00 20.96 ? 396 VAL A CG2 1 ATOM 3161 N N . ARG A 1 397 ? -20.011 16.924 10.659 1.00 26.52 ? 397 ARG A N 1 ATOM 3162 C CA . ARG A 1 397 ? -18.815 17.432 10.010 1.00 28.50 ? 397 ARG A CA 1 ATOM 3163 C C . ARG A 1 397 ? -17.580 17.102 10.849 1.00 27.23 ? 397 ARG A C 1 ATOM 3164 O O . ARG A 1 397 ? -16.547 16.734 10.324 1.00 27.39 ? 397 ARG A O 1 ATOM 3165 C CB . ARG A 1 397 ? -18.921 18.950 9.792 1.00 30.29 ? 397 ARG A CB 1 ATOM 3166 C CG . ARG A 1 397 ? -19.894 19.326 8.666 1.00 29.72 ? 397 ARG A CG 1 ATOM 3167 C CD . ARG A 1 397 ? -19.761 20.810 8.235 1.00 28.63 ? 397 ARG A CD 1 ATOM 3168 N NE . ARG A 1 397 ? -20.915 21.105 7.423 1.00 30.40 ? 397 ARG A NE 1 ATOM 3169 C CZ . ARG A 1 397 ? -22.079 21.579 7.856 1.00 32.10 ? 397 ARG A CZ 1 ATOM 3170 N NH1 . ARG A 1 397 ? -22.273 21.959 9.143 1.00 27.47 ? 397 ARG A NH1 1 ATOM 3171 N NH2 . ARG A 1 397 ? -23.078 21.676 6.978 1.00 28.47 ? 397 ARG A NH2 1 ATOM 3172 N N . GLY A 1 398 ? -17.718 17.201 12.165 1.00 25.24 ? 398 GLY A N 1 ATOM 3173 C CA . GLY A 1 398 ? -16.613 16.906 13.055 1.00 25.14 ? 398 GLY A CA 1 ATOM 3174 C C . GLY A 1 398 ? -16.261 15.460 13.001 1.00 23.53 ? 398 GLY A C 1 ATOM 3175 O O . GLY A 1 398 ? -15.102 15.132 12.876 1.00 25.87 ? 398 GLY A O 1 ATOM 3176 N N . LEU A 1 399 ? -17.258 14.598 12.990 1.00 26.28 ? 399 LEU A N 1 ATOM 3177 C CA . LEU A 1 399 ? -17.016 13.157 12.711 1.00 27.93 ? 399 LEU A CA 1 ATOM 3178 C C . LEU A 1 399 ? -16.113 12.876 11.479 1.00 27.08 ? 399 LEU A C 1 ATOM 3179 O O . LEU A 1 399 ? -15.222 12.015 11.527 1.00 25.02 ? 399 LEU A O 1 ATOM 3180 C CB . LEU A 1 399 ? -18.353 12.411 12.617 1.00 27.42 ? 399 LEU A CB 1 ATOM 3181 C CG . LEU A 1 399 ? -19.067 12.107 13.938 1.00 28.05 ? 399 LEU A CG 1 ATOM 3182 C CD1 . LEU A 1 399 ? -20.417 11.520 13.613 1.00 28.87 ? 399 LEU A CD1 1 ATOM 3183 C CD2 . LEU A 1 399 ? -18.264 11.135 14.835 1.00 28.91 ? 399 LEU A CD2 1 ATOM 3184 N N . LEU A 1 400 ? -16.321 13.628 10.395 1.00 26.37 ? 400 LEU A N 1 ATOM 3185 C CA . LEU A 1 400 ? -15.588 13.418 9.131 1.00 24.78 ? 400 LEU A CA 1 ATOM 3186 C C . LEU A 1 400 ? -14.196 14.006 9.137 1.00 25.06 ? 400 LEU A C 1 ATOM 3187 O O . LEU A 1 400 ? -13.275 13.384 8.639 1.00 25.68 ? 400 LEU A O 1 ATOM 3188 C CB . LEU A 1 400 ? -16.382 14.013 7.937 1.00 25.60 ? 400 LEU A CB 1 ATOM 3189 C CG . LEU A 1 400 ? -17.754 13.355 7.716 1.00 27.01 ? 400 LEU A CG 1 ATOM 3190 C CD1 . LEU A 1 400 ? -18.595 14.118 6.689 1.00 29.00 ? 400 LEU A CD1 1 ATOM 3191 C CD2 . LEU A 1 400 ? -17.572 11.879 7.331 1.00 26.55 ? 400 LEU A CD2 1 ATOM 3192 N N . ALA A 1 401 ? -14.077 15.223 9.665 1.00 23.36 ? 401 ALA A N 1 ATOM 3193 C CA . ALA A 1 401 ? -12.879 16.015 9.559 1.00 27.37 ? 401 ALA A CA 1 ATOM 3194 C C . ALA A 1 401 ? -11.944 15.909 10.749 1.00 28.16 ? 401 ALA A C 1 ATOM 3195 O O . ALA A 1 401 ? -10.774 16.139 10.585 1.00 34.25 ? 401 ALA A O 1 ATOM 3196 C CB . ALA A 1 401 ? -13.256 17.479 9.356 1.00 25.90 ? 401 ALA A CB 1 ATOM 3197 N N . LYS A 1 402 ? -12.441 15.572 11.933 1.00 25.95 ? 402 LYS A N 1 ATOM 3198 C CA . LYS A 1 402 ? -11.570 15.374 13.098 1.00 25.98 ? 402 LYS A CA 1 ATOM 3199 C C . LYS A 1 402 ? -11.183 13.901 13.160 1.00 25.67 ? 402 LYS A C 1 ATOM 3200 O O . LYS A 1 402 ? -11.717 13.055 12.399 1.00 21.65 ? 402 LYS A O 1 ATOM 3201 C CB . LYS A 1 402 ? -12.329 15.765 14.371 1.00 29.06 ? 402 LYS A CB 1 ATOM 3202 C CG . LYS A 1 402 ? -12.710 17.219 14.442 1.00 32.40 ? 402 LYS A CG 1 ATOM 3203 C CD . LYS A 1 402 ? -11.451 18.048 14.367 1.00 36.88 ? 402 LYS A CD 1 ATOM 3204 C CE . LYS A 1 402 ? -11.627 19.429 14.940 1.00 44.45 ? 402 LYS A CE 1 ATOM 3205 N NZ . LYS A 1 402 ? -10.350 20.159 14.655 1.00 47.71 ? 402 LYS A NZ 1 ATOM 3206 N N . LYS A 1 403 ? -10.294 13.615 14.100 1.00 23.73 ? 403 LYS A N 1 ATOM 3207 C CA . LYS A 1 403 ? -9.662 12.317 14.226 1.00 23.83 ? 403 LYS A CA 1 ATOM 3208 C C . LYS A 1 403 ? -9.987 11.630 15.507 1.00 22.82 ? 403 LYS A C 1 ATOM 3209 O O . LYS A 1 403 ? -10.225 12.278 16.564 1.00 18.69 ? 403 LYS A O 1 ATOM 3210 C CB . LYS A 1 403 ? -8.127 12.473 14.164 1.00 26.27 ? 403 LYS A CB 1 ATOM 3211 C CG . LYS A 1 403 ? -7.660 13.058 12.838 1.00 30.48 ? 403 LYS A CG 1 ATOM 3212 C CD . LYS A 1 403 ? -6.173 13.289 12.831 1.00 39.13 ? 403 LYS A CD 1 ATOM 3213 C CE . LYS A 1 403 ? -5.632 13.660 11.464 1.00 42.83 ? 403 LYS A CE 1 ATOM 3214 N NZ . LYS A 1 403 ? -5.943 15.089 11.176 1.00 48.64 ? 403 LYS A NZ 1 ATOM 3215 N N . SER A 1 404 ? -9.963 10.291 15.420 1.00 20.68 ? 404 SER A N 1 ATOM 3216 C CA . SER A 1 404 ? -9.987 9.478 16.616 1.00 23.18 ? 404 SER A CA 1 ATOM 3217 C C . SER A 1 404 ? -8.679 9.693 17.379 1.00 25.09 ? 404 SER A C 1 ATOM 3218 O O . SER A 1 404 ? -7.602 10.041 16.798 1.00 21.65 ? 404 SER A O 1 ATOM 3219 C CB . SER A 1 404 ? -10.129 7.985 16.276 1.00 24.27 ? 404 SER A CB 1 ATOM 3220 O OG . SER A 1 404 ? -11.403 7.648 15.766 1.00 23.64 ? 404 SER A OG 1 ATOM 3221 N N . LYS A 1 405 ? -8.770 9.484 18.692 1.00 26.16 ? 405 LYS A N 1 ATOM 3222 C CA . LYS A 1 405 ? -7.564 9.301 19.496 1.00 23.77 ? 405 LYS A CA 1 ATOM 3223 C C . LYS A 1 405 ? -6.863 8.002 19.083 1.00 23.94 ? 405 LYS A C 1 ATOM 3224 O O . LYS A 1 405 ? -7.510 6.989 18.793 1.00 23.87 ? 405 LYS A O 1 ATOM 3225 C CB . LYS A 1 405 ? -7.928 9.293 21.005 1.00 22.73 ? 405 LYS A CB 1 ATOM 3226 C CG . LYS A 1 405 ? -6.744 9.125 21.915 1.00 23.96 ? 405 LYS A CG 1 ATOM 3227 C CD . LYS A 1 405 ? -7.157 8.935 23.358 1.00 26.88 ? 405 LYS A CD 1 ATOM 3228 C CE . LYS A 1 405 ? -6.022 8.422 24.227 1.00 26.03 ? 405 LYS A CE 1 ATOM 3229 N NZ . LYS A 1 405 ? -5.679 7.013 23.932 1.00 26.19 ? 405 LYS A NZ 1 ATOM 3230 N N . LEU A 1 406 ? -5.539 8.018 19.066 1.00 25.12 ? 406 LEU A N 1 ATOM 3231 C CA . LEU A 1 406 ? -4.775 6.797 18.862 1.00 25.26 ? 406 LEU A CA 1 ATOM 3232 C C . LEU A 1 406 ? -4.554 6.080 20.224 1.00 25.54 ? 406 LEU A C 1 ATOM 3233 O O . LEU A 1 406 ? -4.238 6.702 21.201 1.00 23.16 ? 406 LEU A O 1 ATOM 3234 C CB . LEU A 1 406 ? -3.452 7.135 18.195 1.00 26.10 ? 406 LEU A CB 1 ATOM 3235 C CG . LEU A 1 406 ? -2.517 5.958 17.886 1.00 26.26 ? 406 LEU A CG 1 ATOM 3236 C CD1 . LEU A 1 406 ? -3.061 5.101 16.774 1.00 23.51 ? 406 LEU A CD1 1 ATOM 3237 C CD2 . LEU A 1 406 ? -1.130 6.463 17.525 1.00 26.93 ? 406 LEU A CD2 1 ATOM 3238 N N . MET A 1 407 ? -4.724 4.769 20.288 1.00 25.63 ? 407 MET A N 1 ATOM 3239 C CA . MET A 1 407 ? -4.290 4.044 21.476 1.00 27.86 ? 407 MET A CA 1 ATOM 3240 C C . MET A 1 407 ? -2.760 4.204 21.560 1.00 29.71 ? 407 MET A C 1 ATOM 3241 O O . MET A 1 407 ? -2.051 4.030 20.578 1.00 26.05 ? 407 MET A O 1 ATOM 3242 C CB . MET A 1 407 ? -4.673 2.594 21.437 1.00 33.68 ? 407 MET A CB 1 ATOM 3243 C CG . MET A 1 407 ? -4.528 1.861 22.782 1.00 43.00 ? 407 MET A CG 1 ATOM 3244 S SD . MET A 1 407 ? -2.834 1.551 23.347 1.00 60.84 ? 407 MET A SD 1 ATOM 3245 C CE . MET A 1 407 ? -2.222 0.331 22.167 1.00 64.11 ? 407 MET A CE 1 ATOM 3246 N N . ASN A 1 408 ? -2.281 4.551 22.745 1.00 28.71 ? 408 ASN A N 1 ATOM 3247 C CA . ASN A 1 408 ? -0.881 4.812 23.032 1.00 31.47 ? 408 ASN A CA 1 ATOM 3248 C C . ASN A 1 408 ? -0.616 4.118 24.395 1.00 31.34 ? 408 ASN A C 1 ATOM 3249 O O . ASN A 1 408 ? -1.431 4.274 25.366 1.00 28.51 ? 408 ASN A O 1 ATOM 3250 C CB . ASN A 1 408 ? -0.777 6.362 23.085 1.00 35.26 ? 408 ASN A CB 1 ATOM 3251 C CG . ASN A 1 408 ? 0.543 6.876 23.537 1.00 40.10 ? 408 ASN A CG 1 ATOM 3252 O OD1 . ASN A 1 408 ? 1.297 6.194 24.225 1.00 47.05 ? 408 ASN A OD1 1 ATOM 3253 N ND2 . ASN A 1 408 ? 0.842 8.117 23.162 1.00 49.47 ? 408 ASN A ND2 1 ATOM 3254 N N . GLN A 1 409 ? 0.481 3.343 24.479 1.00 32.61 ? 409 GLN A N 1 ATOM 3255 C CA . GLN A 1 409 ? 0.845 2.646 25.732 1.00 32.65 ? 409 GLN A CA 1 ATOM 3256 C C . GLN A 1 409 ? 1.133 3.523 26.912 1.00 31.45 ? 409 GLN A C 1 ATOM 3257 O O . GLN A 1 409 ? 1.011 3.055 28.039 1.00 31.67 ? 409 GLN A O 1 ATOM 3258 C CB . GLN A 1 409 ? 1.988 1.679 25.560 1.00 32.61 ? 409 GLN A CB 1 ATOM 3259 C CG . GLN A 1 409 ? 1.601 0.433 24.784 1.00 33.72 ? 409 GLN A CG 1 ATOM 3260 C CD . GLN A 1 409 ? 2.840 -0.374 24.379 1.00 35.50 ? 409 GLN A CD 1 ATOM 3261 O OE1 . GLN A 1 409 ? 3.971 0.191 24.226 1.00 34.28 ? 409 GLN A OE1 1 ATOM 3262 N NE2 . GLN A 1 409 ? 2.657 -1.689 24.220 1.00 29.37 ? 409 GLN A NE2 1 ATOM 3263 N N . LYS A 1 410 ? 1.463 4.794 26.666 1.00 32.92 ? 410 LYS A N 1 ATOM 3264 C CA . LYS A 1 410 ? 1.706 5.787 27.713 1.00 34.76 ? 410 LYS A CA 1 ATOM 3265 C C . LYS A 1 410 ? 0.517 6.806 27.884 1.00 33.37 ? 410 LYS A C 1 ATOM 3266 O O . LYS A 1 410 ? 0.516 7.575 28.836 1.00 29.56 ? 410 LYS A O 1 ATOM 3267 C CB . LYS A 1 410 ? 3.073 6.509 27.477 1.00 38.05 ? 410 LYS A CB 1 ATOM 3268 C CG . LYS A 1 410 ? 4.165 5.715 26.700 1.00 43.37 ? 410 LYS A CG 1 ATOM 3269 C CD . LYS A 1 410 ? 5.527 5.497 27.394 1.00 43.05 ? 410 LYS A CD 1 ATOM 3270 C CE . LYS A 1 410 ? 5.770 4.092 27.937 1.00 35.17 ? 410 LYS A CE 1 ATOM 3271 N NZ . LYS A 1 410 ? 4.801 3.668 29.026 1.00 37.89 ? 410 LYS A NZ 1 ATOM 3272 N N . LYS A 1 411 ? -0.472 6.820 26.967 1.00 27.67 ? 411 LYS A N 1 ATOM 3273 C CA . LYS A 1 411 ? -1.648 7.686 27.081 1.00 26.90 ? 411 LYS A CA 1 ATOM 3274 C C . LYS A 1 411 ? -2.901 6.902 26.674 1.00 27.54 ? 411 LYS A C 1 ATOM 3275 O O . LYS A 1 411 ? -3.337 6.961 25.495 1.00 20.49 ? 411 LYS A O 1 ATOM 3276 C CB . LYS A 1 411 ? -1.493 8.909 26.204 1.00 30.32 ? 411 LYS A CB 1 ATOM 3277 C CG . LYS A 1 411 ? -0.280 9.788 26.549 1.00 35.33 ? 411 LYS A CG 1 ATOM 3278 C CD . LYS A 1 411 ? -0.257 11.008 25.614 1.00 38.45 ? 411 LYS A CD 1 ATOM 3279 C CE . LYS A 1 411 ? 0.778 12.049 26.037 1.00 41.67 ? 411 LYS A CE 1 ATOM 3280 N NZ . LYS A 1 411 ? 0.515 13.273 25.222 1.00 44.40 ? 411 LYS A NZ 1 ATOM 3281 N N . MET A 1 412 ? -3.435 6.119 27.620 1.00 23.19 ? 412 MET A N 1 ATOM 3282 C CA . MET A 1 412 ? -4.438 5.142 27.250 1.00 24.89 ? 412 MET A CA 1 ATOM 3283 C C . MET A 1 412 ? -5.843 5.707 27.179 1.00 23.27 ? 412 MET A C 1 ATOM 3284 O O . MET A 1 412 ? -6.447 5.654 26.098 1.00 25.42 ? 412 MET A O 1 ATOM 3285 C CB . MET A 1 412 ? -4.386 3.882 28.122 1.00 23.66 ? 412 MET A CB 1 ATOM 3286 C CG . MET A 1 412 ? -3.067 3.162 28.032 1.00 25.72 ? 412 MET A CG 1 ATOM 3287 S SD . MET A 1 412 ? -3.209 1.555 28.806 1.00 29.05 ? 412 MET A SD 1 ATOM 3288 C CE . MET A 1 412 ? -1.584 0.803 28.564 1.00 31.34 ? 412 MET A CE 1 ATOM 3289 N N . VAL A 1 413 ? -6.415 6.135 28.310 1.00 21.53 ? 413 VAL A N 1 ATOM 3290 C CA . VAL A 1 413 ? -7.796 6.645 28.279 1.00 21.43 ? 413 VAL A CA 1 ATOM 3291 C C . VAL A 1 413 ? -7.795 8.123 28.748 1.00 21.96 ? 413 VAL A C 1 ATOM 3292 O O . VAL A 1 413 ? -7.334 8.433 29.868 1.00 19.30 ? 413 VAL A O 1 ATOM 3293 C CB . VAL A 1 413 ? -8.705 5.798 29.146 1.00 21.03 ? 413 VAL A CB 1 ATOM 3294 C CG1 . VAL A 1 413 ? -10.118 6.407 29.282 1.00 21.00 ? 413 VAL A CG1 1 ATOM 3295 C CG2 . VAL A 1 413 ? -8.726 4.368 28.635 1.00 19.65 ? 413 VAL A CG2 1 ATOM 3296 N N . THR A 1 414 ? -8.386 9.007 27.932 1.00 20.73 ? 414 THR A N 1 ATOM 3297 C CA . THR A 1 414 ? -8.554 10.402 28.323 1.00 20.18 ? 414 THR A CA 1 ATOM 3298 C C . THR A 1 414 ? -9.266 10.587 29.672 1.00 21.63 ? 414 THR A C 1 ATOM 3299 O O . THR A 1 414 ? -10.207 9.858 29.996 1.00 20.16 ? 414 THR A O 1 ATOM 3300 C CB . THR A 1 414 ? -9.334 11.220 27.240 1.00 21.98 ? 414 THR A CB 1 ATOM 3301 O OG1 . THR A 1 414 ? -9.418 12.607 27.654 1.00 22.98 ? 414 THR A OG1 1 ATOM 3302 C CG2 . THR A 1 414 ? -10.787 10.656 27.025 1.00 20.53 ? 414 THR A CG2 1 ATOM 3303 N N . SER A 1 415 ? -8.842 11.613 30.438 1.00 22.77 ? 415 SER A N 1 ATOM 3304 C CA . SER A 1 415 ? -9.452 11.954 31.688 1.00 22.54 ? 415 SER A CA 1 ATOM 3305 C C . SER A 1 415 ? -10.922 12.299 31.634 1.00 22.89 ? 415 SER A C 1 ATOM 3306 O O . SER A 1 415 ? -11.622 12.194 32.653 1.00 20.08 ? 415 SER A O 1 ATOM 3307 C CB . SER A 1 415 ? -8.713 13.113 32.298 1.00 25.53 ? 415 SER A CB 1 ATOM 3308 O OG . SER A 1 415 ? -7.458 12.643 32.647 1.00 34.12 ? 415 SER A OG 1 ATOM 3309 N N . GLU A 1 416 ? -11.400 12.677 30.441 1.00 25.05 ? 416 GLU A N 1 ATOM 3310 C CA . GLU A 1 416 ? -12.796 12.962 30.261 1.00 25.79 ? 416 GLU A CA 1 ATOM 3311 C C . GLU A 1 416 ? -13.635 11.733 30.614 1.00 24.68 ? 416 GLU A C 1 ATOM 3312 O O . GLU A 1 416 ? -14.726 11.869 31.181 1.00 23.67 ? 416 GLU A O 1 ATOM 3313 C CB . GLU A 1 416 ? -13.076 13.487 28.811 1.00 28.30 ? 416 GLU A CB 1 ATOM 3314 C CG . GLU A 1 416 ? -12.371 14.815 28.435 1.00 28.14 ? 416 GLU A CG 1 ATOM 3315 C CD . GLU A 1 416 ? -12.890 15.969 29.273 1.00 29.47 ? 416 GLU A CD 1 ATOM 3316 O OE1 . GLU A 1 416 ? -12.157 16.517 30.091 1.00 32.52 ? 416 GLU A OE1 1 ATOM 3317 O OE2 . GLU A 1 416 ? -14.076 16.314 29.184 1.00 31.19 ? 416 GLU A OE2 1 ATOM 3318 N N . LEU A 1 417 ? -13.105 10.556 30.287 1.00 22.49 ? 417 LEU A N 1 ATOM 3319 C CA . LEU A 1 417 ? -13.691 9.267 30.662 1.00 22.79 ? 417 LEU A CA 1 ATOM 3320 C C . LEU A 1 417 ? -13.164 8.645 31.960 1.00 22.54 ? 417 LEU A C 1 ATOM 3321 O O . LEU A 1 417 ? -13.897 7.982 32.680 1.00 20.38 ? 417 LEU A O 1 ATOM 3322 C CB . LEU A 1 417 ? -13.474 8.265 29.579 1.00 22.23 ? 417 LEU A CB 1 ATOM 3323 C CG . LEU A 1 417 ? -14.222 8.557 28.262 1.00 20.71 ? 417 LEU A CG 1 ATOM 3324 C CD1 . LEU A 1 417 ? -13.690 7.587 27.231 1.00 21.28 ? 417 LEU A CD1 1 ATOM 3325 C CD2 . LEU A 1 417 ? -15.720 8.402 28.313 1.00 19.50 ? 417 LEU A CD2 1 ATOM 3326 N N . ARG A 1 418 ? -11.907 8.879 32.232 1.00 21.69 ? 418 ARG A N 1 ATOM 3327 C CA . ARG A 1 418 ? -11.232 8.238 33.359 1.00 23.95 ? 418 ARG A CA 1 ATOM 3328 C C . ARG A 1 418 ? -11.512 8.955 34.712 1.00 23.93 ? 418 ARG A C 1 ATOM 3329 O O . ARG A 1 418 ? -11.395 8.333 35.753 1.00 23.10 ? 418 ARG A O 1 ATOM 3330 C CB . ARG A 1 418 ? -9.743 8.153 33.062 1.00 22.85 ? 418 ARG A CB 1 ATOM 3331 C CG . ARG A 1 418 ? -9.051 6.995 33.755 1.00 24.21 ? 418 ARG A CG 1 ATOM 3332 C CD . ARG A 1 418 ? -7.544 7.055 33.621 1.00 23.33 ? 418 ARG A CD 1 ATOM 3333 N NE . ARG A 1 418 ? -6.934 8.148 34.374 1.00 22.62 ? 418 ARG A NE 1 ATOM 3334 C CZ . ARG A 1 418 ? -6.833 8.218 35.708 1.00 22.21 ? 418 ARG A CZ 1 ATOM 3335 N NH1 . ARG A 1 418 ? -7.255 7.275 36.498 1.00 21.57 ? 418 ARG A NH1 1 ATOM 3336 N NH2 . ARG A 1 418 ? -6.222 9.237 36.264 1.00 24.78 ? 418 ARG A NH2 1 ATOM 3337 N N . ASN A 1 419 ? -11.787 10.268 34.686 1.00 23.50 ? 419 ASN A N 1 ATOM 3338 C CA . ASN A 1 419 ? -12.162 11.038 35.896 1.00 26.39 ? 419 ASN A CA 1 ATOM 3339 C C . ASN A 1 419 ? -13.484 11.727 35.887 1.00 26.51 ? 419 ASN A C 1 ATOM 3340 O O . ASN A 1 419 ? -13.942 12.127 36.973 1.00 32.14 ? 419 ASN A O 1 ATOM 3341 C CB . ASN A 1 419 ? -11.077 12.067 36.223 1.00 25.95 ? 419 ASN A CB 1 ATOM 3342 C CG . ASN A 1 419 ? -9.788 11.398 36.644 1.00 28.53 ? 419 ASN A CG 1 ATOM 3343 O OD1 . ASN A 1 419 ? -9.795 10.494 37.460 1.00 28.95 ? 419 ASN A OD1 1 ATOM 3344 N ND2 . ASN A 1 419 ? -8.690 11.793 36.050 1.00 31.98 ? 419 ASN A ND2 1 ATOM 3345 N N . LYS A 1 420 ? -14.088 11.899 34.714 1.00 24.89 ? 420 LYS A N 1 ATOM 3346 C CA . LYS A 1 420 ? -15.278 12.767 34.563 1.00 25.05 ? 420 LYS A CA 1 ATOM 3347 C C . LYS A 1 420 ? -16.506 12.116 33.992 1.00 25.83 ? 420 LYS A C 1 ATOM 3348 O O . LYS A 1 420 ? -17.472 12.804 33.576 1.00 22.96 ? 420 LYS A O 1 ATOM 3349 C CB . LYS A 1 420 ? -14.878 13.965 33.716 1.00 29.54 ? 420 LYS A CB 1 ATOM 3350 C CG . LYS A 1 420 ? -13.848 14.852 34.433 1.00 31.68 ? 420 LYS A CG 1 ATOM 3351 C CD . LYS A 1 420 ? -13.385 15.998 33.566 1.00 36.42 ? 420 LYS A CD 1 ATOM 3352 C CE . LYS A 1 420 ? -12.492 16.910 34.380 1.00 43.00 ? 420 LYS A CE 1 ATOM 3353 N NZ . LYS A 1 420 ? -12.157 18.149 33.631 1.00 47.03 ? 420 LYS A NZ 1 ATOM 3354 N N . LEU A 1 421 ? -16.522 10.775 33.983 1.00 24.63 ? 421 LEU A N 1 ATOM 3355 C CA . LEU A 1 421 ? -17.660 10.050 33.445 1.00 25.44 ? 421 LEU A CA 1 ATOM 3356 C C . LEU A 1 421 ? -18.909 10.345 34.268 1.00 28.09 ? 421 LEU A C 1 ATOM 3357 O O . LEU A 1 421 ? -18.845 10.371 35.529 1.00 25.53 ? 421 LEU A O 1 ATOM 3358 C CB . LEU A 1 421 ? -17.366 8.531 33.526 1.00 26.22 ? 421 LEU A CB 1 ATOM 3359 C CG . LEU A 1 421 ? -18.386 7.590 32.871 1.00 28.03 ? 421 LEU A CG 1 ATOM 3360 C CD1 . LEU A 1 421 ? -18.463 7.810 31.352 1.00 28.50 ? 421 LEU A CD1 1 ATOM 3361 C CD2 . LEU A 1 421 ? -18.120 6.121 33.231 1.00 26.44 ? 421 LEU A CD2 1 ATOM 3362 N N . PHE A 1 422 ? -20.033 10.540 33.577 1.00 29.69 ? 422 PHE A N 1 ATOM 3363 C CA . PHE A 1 422 ? -21.310 10.776 34.224 1.00 38.63 ? 422 PHE A CA 1 ATOM 3364 C C . PHE A 1 422 ? -22.140 9.512 34.192 1.00 46.01 ? 422 PHE A C 1 ATOM 3365 O O . PHE A 1 422 ? -22.262 8.847 33.172 1.00 41.61 ? 422 PHE A O 1 ATOM 3366 C CB . PHE A 1 422 ? -22.087 11.923 33.563 1.00 48.04 ? 422 PHE A CB 1 ATOM 3367 C CG . PHE A 1 422 ? -23.401 12.246 34.252 1.00 53.79 ? 422 PHE A CG 1 ATOM 3368 C CD1 . PHE A 1 422 ? -24.579 11.607 33.882 1.00 55.70 ? 422 PHE A CD1 1 ATOM 3369 C CD2 . PHE A 1 422 ? -23.462 13.167 35.277 1.00 58.26 ? 422 PHE A CD2 1 ATOM 3370 C CE1 . PHE A 1 422 ? -25.787 11.879 34.518 1.00 49.29 ? 422 PHE A CE1 1 ATOM 3371 C CE2 . PHE A 1 422 ? -24.674 13.461 35.911 1.00 58.62 ? 422 PHE A CE2 1 ATOM 3372 C CZ . PHE A 1 422 ? -25.842 12.809 35.521 1.00 54.56 ? 422 PHE A CZ 1 ATOM 3373 N N . GLN A 1 423 ? -22.682 9.176 35.344 1.00 56.91 ? 423 GLN A N 1 ATOM 3374 C CA . GLN A 1 423 ? -23.547 8.038 35.484 1.00 70.34 ? 423 GLN A CA 1 ATOM 3375 C C . GLN A 1 423 ? -24.852 8.537 36.003 1.00 67.97 ? 423 GLN A C 1 ATOM 3376 O O . GLN A 1 423 ? -24.894 9.219 37.031 1.00 61.42 ? 423 GLN A O 1 ATOM 3377 C CB . GLN A 1 423 ? -22.990 7.055 36.487 1.00 76.72 ? 423 GLN A CB 1 ATOM 3378 C CG . GLN A 1 423 ? -21.728 6.382 35.995 1.00 82.24 ? 423 GLN A CG 1 ATOM 3379 C CD . GLN A 1 423 ? -21.886 4.890 35.930 1.00 82.70 ? 423 GLN A CD 1 ATOM 3380 O OE1 . GLN A 1 423 ? -21.987 4.337 34.838 1.00 85.06 ? 423 GLN A OE1 1 ATOM 3381 N NE2 . GLN A 1 423 ? -21.950 4.231 37.094 1.00 81.05 ? 423 GLN A NE2 1 ATOM 3382 N N . PRO A 1 424 ? -25.932 8.168 35.335 1.00 64.65 ? 424 PRO A N 1 ATOM 3383 C CA . PRO A 1 424 ? -27.234 8.668 35.772 1.00 71.69 ? 424 PRO A CA 1 ATOM 3384 C C . PRO A 1 424 ? -27.651 8.030 37.054 1.00 69.93 ? 424 PRO A C 1 ATOM 3385 O O . PRO A 1 424 ? -27.765 6.821 37.027 1.00 71.93 ? 424 PRO A O 1 ATOM 3386 C CB . PRO A 1 424 ? -28.164 8.162 34.698 1.00 68.51 ? 424 PRO A CB 1 ATOM 3387 C CG . PRO A 1 424 ? -27.511 6.931 34.147 1.00 65.85 ? 424 PRO A CG 1 ATOM 3388 C CD . PRO A 1 424 ? -26.035 7.150 34.281 1.00 62.62 ? 424 PRO A CD 1 ATOM 3389 N N . THR A 1 425 ? -27.828 8.844 38.115 1.00 75.87 ? 425 THR A N 1 ATOM 3390 C CA . THR A 1 425 ? -28.349 8.561 39.504 1.00 84.48 ? 425 THR A CA 1 ATOM 3391 C C . THR A 1 425 ? -27.861 9.465 40.651 1.00 83.41 ? 425 THR A C 1 ATOM 3392 O O . THR A 1 425 ? -28.717 9.836 41.454 1.00 88.72 ? 425 THR A O 1 ATOM 3393 C CB . THR A 1 425 ? -28.171 7.135 40.078 1.00 91.47 ? 425 THR A CB 1 ATOM 3394 O OG1 . THR A 1 425 ? -28.942 6.214 39.316 1.00 95.52 ? 425 THR A OG1 1 ATOM 3395 C CG2 . THR A 1 425 ? -28.705 7.036 41.524 1.00 96.74 ? 425 THR A CG2 1 ATOM 3396 N N . HIS A 1 426 ? -26.577 9.809 40.819 1.00 74.87 ? 426 HIS A N 1 ATOM 3397 C CA . HIS A 1 426 ? -26.272 10.530 42.129 1.00 65.79 ? 426 HIS A CA 1 ATOM 3398 C C . HIS A 1 426 ? -25.447 11.838 42.189 1.00 58.49 ? 426 HIS A C 1 ATOM 3399 O O . HIS A 1 426 ? -24.982 12.257 43.252 1.00 27.34 ? 426 HIS A O 1 ATOM 3400 C CB . HIS A 1 426 ? -26.001 9.535 43.252 1.00 64.57 ? 426 HIS A CB 1 ATOM 3401 C CG . HIS A 1 426 ? -25.073 8.445 42.865 1.00 47.27 ? 426 HIS A CG 1 ATOM 3402 N ND1 . HIS A 1 426 ? -23.921 8.223 43.538 1.00 40.92 ? 426 HIS A ND1 1 ATOM 3403 C CD2 . HIS A 1 426 ? -25.039 7.657 41.796 1.00 44.46 ? 426 HIS A CD2 1 ATOM 3404 C CE1 . HIS A 1 426 ? -23.245 7.293 42.947 1.00 43.66 ? 426 HIS A CE1 1 ATOM 3405 N NE2 . HIS A 1 426 ? -23.918 6.909 41.898 1.00 46.04 ? 426 HIS A NE2 1 ATOM 3406 N N . LYS A 1 427 ? -25.351 12.448 41.008 1.00 74.72 ? 427 LYS A N 1 ATOM 3407 C CA . LYS A 1 427 ? -25.155 13.898 40.779 1.00 83.35 ? 427 LYS A CA 1 ATOM 3408 C C . LYS A 1 427 ? -23.878 14.299 40.049 1.00 74.85 ? 427 LYS A C 1 ATOM 3409 O O . LYS A 1 427 ? -23.703 15.472 39.806 1.00 68.06 ? 427 LYS A O 1 ATOM 3410 C CB . LYS A 1 427 ? -25.278 14.753 42.071 1.00 92.94 ? 427 LYS A CB 1 ATOM 3411 C CG . LYS A 1 427 ? -26.705 15.057 42.547 1.00 100.13 ? 427 LYS A CG 1 ATOM 3412 C CD . LYS A 1 427 ? -27.671 13.886 42.584 1.00 102.47 ? 427 LYS A CD 1 ATOM 3413 C CE . LYS A 1 427 ? -29.103 14.321 42.834 1.00 106.21 ? 427 LYS A CE 1 ATOM 3414 N NZ . LYS A 1 427 ? -29.997 13.131 42.858 1.00 106.40 ? 427 LYS A NZ 1 ATOM 3415 N N . ILE A 1 428 ? -22.964 13.399 39.700 1.00 71.62 ? 428 ILE A N 1 ATOM 3416 C CA . ILE A 1 428 ? -21.604 13.921 39.443 1.00 73.21 ? 428 ILE A CA 1 ATOM 3417 C C . ILE A 1 428 ? -20.767 13.373 38.285 1.00 61.58 ? 428 ILE A C 1 ATOM 3418 O O . ILE A 1 428 ? -20.610 12.172 38.106 1.00 72.42 ? 428 ILE A O 1 ATOM 3419 C CB . ILE A 1 428 ? -20.762 13.905 40.737 1.00 77.65 ? 428 ILE A CB 1 ATOM 3420 C CG1 . ILE A 1 428 ? -20.708 12.497 41.347 1.00 79.52 ? 428 ILE A CG1 1 ATOM 3421 C CG2 . ILE A 1 428 ? -21.304 14.916 41.753 1.00 79.21 ? 428 ILE A CG2 1 ATOM 3422 C CD1 . ILE A 1 428 ? -19.493 12.296 42.216 1.00 75.88 ? 428 ILE A CD1 1 ATOM 3423 N N . HIS A 1 429 ? -20.217 14.310 37.521 1.00 54.04 ? 429 HIS A N 1 ATOM 3424 C CA . HIS A 1 429 ? -19.254 14.031 36.458 1.00 50.67 ? 429 HIS A CA 1 ATOM 3425 C C . HIS A 1 429 ? -17.930 13.633 37.134 1.00 49.87 ? 429 HIS A C 1 ATOM 3426 O O . HIS A 1 429 ? -16.990 14.449 37.220 1.00 48.53 ? 429 HIS A O 1 ATOM 3427 C CB . HIS A 1 429 ? -19.108 15.265 35.564 1.00 44.71 ? 429 HIS A CB 1 ATOM 3428 C CG . HIS A 1 429 ? -20.311 15.508 34.700 1.00 49.74 ? 429 HIS A CG 1 ATOM 3429 N ND1 . HIS A 1 429 ? -21.560 15.811 35.210 1.00 48.75 ? 429 HIS A ND1 1 ATOM 3430 C CD2 . HIS A 1 429 ? -20.468 15.417 33.356 1.00 48.40 ? 429 HIS A CD2 1 ATOM 3431 C CE1 . HIS A 1 429 ? -22.416 15.945 34.209 1.00 48.12 ? 429 HIS A CE1 1 ATOM 3432 N NE2 . HIS A 1 429 ? -21.786 15.692 33.077 1.00 42.85 ? 429 HIS A NE2 1 ATOM 3433 N N . GLY A 1 430 ? -17.906 12.402 37.664 1.00 37.43 ? 430 GLY A N 1 ATOM 3434 C CA . GLY A 1 430 ? -16.870 11.988 38.580 1.00 32.90 ? 430 GLY A CA 1 ATOM 3435 C C . GLY A 1 430 ? -16.437 10.524 38.570 1.00 30.55 ? 430 GLY A C 1 ATOM 3436 O O . GLY A 1 430 ? -15.711 10.135 39.469 1.00 28.87 ? 430 GLY A O 1 ATOM 3437 N N . PHE A 1 431 ? -16.906 9.717 37.617 1.00 28.69 ? 431 PHE A N 1 ATOM 3438 C CA . PHE A 1 431 ? -16.624 8.276 37.574 1.00 30.02 ? 431 PHE A CA 1 ATOM 3439 C C . PHE A 1 431 ? -15.442 7.988 36.621 1.00 27.93 ? 431 PHE A C 1 ATOM 3440 O O . PHE A 1 431 ? -15.037 8.828 35.832 1.00 27.52 ? 431 PHE A O 1 ATOM 3441 C CB . PHE A 1 431 ? -17.893 7.503 37.134 1.00 31.41 ? 431 PHE A CB 1 ATOM 3442 C CG . PHE A 1 431 ? -18.975 7.377 38.207 1.00 38.24 ? 431 PHE A CG 1 ATOM 3443 C CD1 . PHE A 1 431 ? -19.825 8.442 38.494 1.00 40.31 ? 431 PHE A CD1 1 ATOM 3444 C CD2 . PHE A 1 431 ? -19.198 6.164 38.882 1.00 40.85 ? 431 PHE A CD2 1 ATOM 3445 C CE1 . PHE A 1 431 ? -20.825 8.338 39.464 1.00 43.89 ? 431 PHE A CE1 1 ATOM 3446 C CE2 . PHE A 1 431 ? -20.199 6.043 39.851 1.00 43.79 ? 431 PHE A CE2 1 ATOM 3447 C CZ . PHE A 1 431 ? -21.024 7.136 40.141 1.00 46.74 ? 431 PHE A CZ 1 ATOM 3448 N N . ASP A 1 432 ? -14.990 6.741 36.607 1.00 25.22 ? 432 ASP A N 1 ATOM 3449 C CA . ASP A 1 432 ? -13.795 6.294 35.901 1.00 22.44 ? 432 ASP A CA 1 ATOM 3450 C C . ASP A 1 432 ? -14.178 5.080 35.047 1.00 22.60 ? 432 ASP A C 1 ATOM 3451 O O . ASP A 1 432 ? -14.365 3.979 35.573 1.00 19.64 ? 432 ASP A O 1 ATOM 3452 C CB . ASP A 1 432 ? -12.758 5.893 36.920 1.00 23.33 ? 432 ASP A CB 1 ATOM 3453 C CG . ASP A 1 432 ? -11.445 5.486 36.305 1.00 23.50 ? 432 ASP A CG 1 ATOM 3454 O OD1 . ASP A 1 432 ? -11.448 5.147 35.090 1.00 22.92 ? 432 ASP A OD1 1 ATOM 3455 O OD2 . ASP A 1 432 ? -10.410 5.479 37.082 1.00 22.65 ? 432 ASP A OD2 1 ATOM 3456 N N . LEU A 1 433 ? -14.272 5.285 33.728 1.00 21.18 ? 433 LEU A N 1 ATOM 3457 C CA . LEU A 1 433 ? -14.671 4.174 32.837 1.00 21.81 ? 433 LEU A CA 1 ATOM 3458 C C . LEU A 1 433 ? -13.640 3.033 32.837 1.00 19.96 ? 433 LEU A C 1 ATOM 3459 O O . LEU A 1 433 ? -14.002 1.849 32.757 1.00 21.43 ? 433 LEU A O 1 ATOM 3460 C CB . LEU A 1 433 ? -14.925 4.694 31.440 1.00 20.88 ? 433 LEU A CB 1 ATOM 3461 C CG . LEU A 1 433 ? -15.376 3.654 30.410 1.00 22.52 ? 433 LEU A CG 1 ATOM 3462 C CD1 . LEU A 1 433 ? -16.647 2.996 30.945 1.00 22.76 ? 433 LEU A CD1 1 ATOM 3463 C CD2 . LEU A 1 433 ? -15.593 4.323 29.056 1.00 21.57 ? 433 LEU A CD2 1 ATOM 3464 N N . ALA A 1 434 ? -12.367 3.386 32.927 1.00 21.08 ? 434 ALA A N 1 ATOM 3465 C CA . ALA A 1 434 ? -11.324 2.346 33.005 1.00 22.33 ? 434 ALA A CA 1 ATOM 3466 C C . ALA A 1 434 ? -11.450 1.479 34.263 1.00 22.82 ? 434 ALA A C 1 ATOM 3467 O O . ALA A 1 434 ? -11.426 0.235 34.187 1.00 24.10 ? 434 ALA A O 1 ATOM 3468 C CB . ALA A 1 434 ? -9.926 2.929 32.875 1.00 20.74 ? 434 ALA A CB 1 ATOM 3469 N N . ALA A 1 435 ? -11.639 2.130 35.402 1.00 23.16 ? 435 ALA A N 1 ATOM 3470 C CA . ALA A 1 435 ? -11.794 1.436 36.643 1.00 22.49 ? 435 ALA A CA 1 ATOM 3471 C C . ALA A 1 435 ? -13.032 0.552 36.552 1.00 22.64 ? 435 ALA A C 1 ATOM 3472 O O . ALA A 1 435 ? -12.968 -0.621 36.899 1.00 20.46 ? 435 ALA A O 1 ATOM 3473 C CB . ALA A 1 435 ? -11.870 2.416 37.801 1.00 24.80 ? 435 ALA A CB 1 ATOM 3474 N N . ILE A 1 436 ? -14.129 1.118 36.073 1.00 21.23 ? 436 ILE A N 1 ATOM 3475 C CA . ILE A 1 436 ? -15.359 0.383 35.823 1.00 22.88 ? 436 ILE A CA 1 ATOM 3476 C C . ILE A 1 436 ? -15.128 -0.865 34.968 1.00 22.83 ? 436 ILE A C 1 ATOM 3477 O O . ILE A 1 436 ? -15.601 -1.926 35.324 1.00 21.00 ? 436 ILE A O 1 ATOM 3478 C CB . ILE A 1 436 ? -16.480 1.331 35.229 1.00 24.35 ? 436 ILE A CB 1 ATOM 3479 C CG1 . ILE A 1 436 ? -17.053 2.235 36.319 1.00 23.37 ? 436 ILE A CG1 1 ATOM 3480 C CG2 . ILE A 1 436 ? -17.665 0.555 34.685 1.00 25.96 ? 436 ILE A CG2 1 ATOM 3481 C CD1 . ILE A 1 436 ? -17.838 3.414 35.756 1.00 24.88 ? 436 ILE A CD1 1 ATOM 3482 N N . ASN A 1 437 ? -14.381 -0.729 33.865 1.00 23.75 ? 437 ASN A N 1 ATOM 3483 C CA . ASN A 1 437 ? -14.128 -1.846 32.963 1.00 23.64 ? 437 ASN A CA 1 ATOM 3484 C C . ASN A 1 437 ? -13.406 -2.957 33.676 1.00 24.70 ? 437 ASN A C 1 ATOM 3485 O O . ASN A 1 437 ? -13.702 -4.139 33.451 1.00 21.39 ? 437 ASN A O 1 ATOM 3486 C CB . ASN A 1 437 ? -13.262 -1.457 31.767 1.00 22.26 ? 437 ASN A CB 1 ATOM 3487 C CG . ASN A 1 437 ? -13.989 -0.586 30.742 1.00 25.74 ? 437 ASN A CG 1 ATOM 3488 O OD1 . ASN A 1 437 ? -15.221 -0.508 30.669 1.00 24.58 ? 437 ASN A OD1 1 ATOM 3489 N ND2 . ASN A 1 437 ? -13.214 0.078 29.958 1.00 23.72 ? 437 ASN A ND2 1 ATOM 3490 N N . LEU A 1 438 ? -12.436 -2.584 34.500 1.00 23.43 ? 438 LEU A N 1 ATOM 3491 C CA . LEU A 1 438 ? -11.608 -3.573 35.204 1.00 23.30 ? 438 LEU A CA 1 ATOM 3492 C C . LEU A 1 438 ? -12.477 -4.291 36.238 1.00 23.11 ? 438 LEU A C 1 ATOM 3493 O O . LEU A 1 438 ? -12.501 -5.538 36.317 1.00 23.37 ? 438 LEU A O 1 ATOM 3494 C CB . LEU A 1 438 ? -10.359 -2.914 35.837 1.00 23.88 ? 438 LEU A CB 1 ATOM 3495 C CG . LEU A 1 438 ? -9.245 -2.471 34.842 1.00 24.82 ? 438 LEU A CG 1 ATOM 3496 C CD1 . LEU A 1 438 ? -8.258 -1.488 35.457 1.00 24.63 ? 438 LEU A CD1 1 ATOM 3497 C CD2 . LEU A 1 438 ? -8.464 -3.634 34.258 1.00 24.38 ? 438 LEU A CD2 1 ATOM 3498 N N . GLN A 1 439 ? -13.207 -3.511 37.015 1.00 21.30 ? 439 GLN A N 1 ATOM 3499 C CA . GLN A 1 439 ? -14.108 -4.069 37.987 1.00 24.36 ? 439 GLN A CA 1 ATOM 3500 C C . GLN A 1 439 ? -15.149 -5.006 37.303 1.00 22.72 ? 439 GLN A C 1 ATOM 3501 O O . GLN A 1 439 ? -15.498 -6.068 37.815 1.00 20.89 ? 439 GLN A O 1 ATOM 3502 C CB . GLN A 1 439 ? -14.790 -2.931 38.741 1.00 24.07 ? 439 GLN A CB 1 ATOM 3503 C CG . GLN A 1 439 ? -15.510 -3.354 40.003 1.00 25.04 ? 439 GLN A CG 1 ATOM 3504 C CD . GLN A 1 439 ? -14.572 -3.439 41.206 1.00 24.31 ? 439 GLN A CD 1 ATOM 3505 O OE1 . GLN A 1 439 ? -13.337 -3.702 41.085 1.00 23.16 ? 439 GLN A OE1 1 ATOM 3506 N NE2 . GLN A 1 439 ? -15.151 -3.241 42.365 1.00 22.13 ? 439 GLN A NE2 1 ATOM 3507 N N . ARG A 1 440 ? -15.622 -4.598 36.132 1.00 22.61 ? 440 ARG A N 1 ATOM 3508 C CA . ARG A 1 440 ? -16.601 -5.344 35.399 1.00 22.36 ? 440 ARG A CA 1 ATOM 3509 C C . ARG A 1 440 ? -16.048 -6.691 34.895 1.00 23.35 ? 440 ARG A C 1 ATOM 3510 O O . ARG A 1 440 ? -16.800 -7.681 34.887 1.00 24.07 ? 440 ARG A O 1 ATOM 3511 C CB . ARG A 1 440 ? -17.202 -4.473 34.285 1.00 23.28 ? 440 ARG A CB 1 ATOM 3512 C CG . ARG A 1 440 ? -18.398 -5.091 33.570 1.00 24.40 ? 440 ARG A CG 1 ATOM 3513 C CD . ARG A 1 440 ? -19.624 -5.126 34.452 1.00 24.76 ? 440 ARG A CD 1 ATOM 3514 N NE . ARG A 1 440 ? -20.166 -3.794 34.672 1.00 27.33 ? 440 ARG A NE 1 ATOM 3515 C CZ . ARG A 1 440 ? -21.007 -3.411 35.656 1.00 26.44 ? 440 ARG A CZ 1 ATOM 3516 N NH1 . ARG A 1 440 ? -21.412 -4.223 36.657 1.00 25.07 ? 440 ARG A NH1 1 ATOM 3517 N NH2 . ARG A 1 440 ? -21.434 -2.165 35.637 1.00 25.93 ? 440 ARG A NH2 1 ATOM 3518 N N . CYS A 1 441 ? -14.770 -6.735 34.468 1.00 21.92 ? 441 CYS A N 1 ATOM 3519 C CA . CYS A 1 441 ? -14.137 -7.993 34.086 1.00 22.14 ? 441 CYS A CA 1 ATOM 3520 C C . CYS A 1 441 ? -14.243 -9.009 35.196 1.00 19.78 ? 441 CYS A C 1 ATOM 3521 O O . CYS A 1 441 ? -14.553 -10.194 34.975 1.00 21.44 ? 441 CYS A O 1 ATOM 3522 C CB . CYS A 1 441 ? -12.614 -7.808 33.779 1.00 24.93 ? 441 CYS A CB 1 ATOM 3523 S SG . CYS A 1 441 ? -12.180 -6.915 32.240 1.00 26.12 ? 441 CYS A SG 1 ATOM 3524 N N . ARG A 1 442 ? -13.956 -8.538 36.413 1.00 18.59 ? 442 ARG A N 1 ATOM 3525 C CA . ARG A 1 442 ? -13.969 -9.352 37.616 1.00 19.36 ? 442 ARG A CA 1 ATOM 3526 C C . ARG A 1 442 ? -15.392 -9.811 37.937 1.00 20.76 ? 442 ARG A C 1 ATOM 3527 O O . ARG A 1 442 ? -15.657 -11.019 38.111 1.00 19.97 ? 442 ARG A O 1 ATOM 3528 C CB . ARG A 1 442 ? -13.330 -8.560 38.773 1.00 19.58 ? 442 ARG A CB 1 ATOM 3529 C CG . ARG A 1 442 ? -11.840 -8.313 38.496 1.00 19.14 ? 442 ARG A CG 1 ATOM 3530 C CD . ARG A 1 442 ? -11.216 -7.310 39.435 1.00 20.01 ? 442 ARG A CD 1 ATOM 3531 N NE . ARG A 1 442 ? -9.856 -6.927 39.042 1.00 19.91 ? 442 ARG A NE 1 ATOM 3532 C CZ . ARG A 1 442 ? -9.136 -6.033 39.707 1.00 19.49 ? 442 ARG A CZ 1 ATOM 3533 N NH1 . ARG A 1 442 ? -9.606 -5.560 40.858 1.00 19.45 ? 442 ARG A NH1 1 ATOM 3534 N NH2 . ARG A 1 442 ? -7.890 -5.748 39.328 1.00 19.78 ? 442 ARG A NH2 1 ATOM 3535 N N . ASP A 1 443 ? -16.305 -8.855 37.971 1.00 21.01 ? 443 ASP A N 1 ATOM 3536 C CA . ASP A 1 443 ? -17.787 -9.084 38.049 1.00 21.45 ? 443 ASP A CA 1 ATOM 3537 C C . ASP A 1 443 ? -18.254 -10.198 37.137 1.00 22.02 ? 443 ASP A C 1 ATOM 3538 O O . ASP A 1 443 ? -19.043 -11.025 37.553 1.00 23.24 ? 443 ASP A O 1 ATOM 3539 C CB . ASP A 1 443 ? -18.490 -7.772 37.709 1.00 21.56 ? 443 ASP A CB 1 ATOM 3540 C CG . ASP A 1 443 ? -19.986 -7.827 37.813 1.00 23.46 ? 443 ASP A CG 1 ATOM 3541 O OD1 . ASP A 1 443 ? -20.536 -8.718 38.483 1.00 28.86 ? 443 ASP A OD1 1 ATOM 3542 O OD2 . ASP A 1 443 ? -20.608 -6.968 37.170 1.00 25.11 ? 443 ASP A OD2 1 ATOM 3543 N N . HIS A 1 444 ? -17.735 -10.229 35.894 1.00 22.62 ? 444 HIS A N 1 ATOM 3544 C CA . HIS A 1 444 ? -18.156 -11.172 34.910 1.00 20.64 ? 444 HIS A CA 1 ATOM 3545 C C . HIS A 1 444 ? -17.422 -12.532 34.960 1.00 22.61 ? 444 HIS A C 1 ATOM 3546 O O . HIS A 1 444 ? -17.646 -13.384 34.112 1.00 21.25 ? 444 HIS A O 1 ATOM 3547 C CB . HIS A 1 444 ? -18.040 -10.570 33.522 1.00 23.48 ? 444 HIS A CB 1 ATOM 3548 C CG . HIS A 1 444 ? -19.182 -9.663 33.113 1.00 25.08 ? 444 HIS A CG 1 ATOM 3549 N ND1 . HIS A 1 444 ? -19.788 -9.752 31.871 1.00 27.52 ? 444 HIS A ND1 1 ATOM 3550 C CD2 . HIS A 1 444 ? -19.786 -8.629 33.744 1.00 25.17 ? 444 HIS A CD2 1 ATOM 3551 C CE1 . HIS A 1 444 ? -20.695 -8.795 31.754 1.00 28.93 ? 444 HIS A CE1 1 ATOM 3552 N NE2 . HIS A 1 444 ? -20.722 -8.107 32.881 1.00 24.53 ? 444 HIS A NE2 1 ATOM 3553 N N . GLY A 1 445 ? -16.566 -12.750 35.962 1.00 23.33 ? 445 GLY A N 1 ATOM 3554 C CA . GLY A 1 445 ? -15.795 -13.966 36.109 1.00 24.95 ? 445 GLY A CA 1 ATOM 3555 C C . GLY A 1 445 ? -14.813 -14.210 34.967 1.00 22.78 ? 445 GLY A C 1 ATOM 3556 O O . GLY A 1 445 ? -14.638 -15.375 34.538 1.00 20.94 ? 445 GLY A O 1 ATOM 3557 N N . MET A 1 446 ? -14.201 -13.147 34.465 1.00 21.89 ? 446 MET A N 1 ATOM 3558 C CA . MET A 1 446 ? -13.245 -13.277 33.314 1.00 23.12 ? 446 MET A CA 1 ATOM 3559 C C . MET A 1 446 ? -11.951 -14.012 33.654 1.00 22.76 ? 446 MET A C 1 ATOM 3560 O O . MET A 1 446 ? -11.197 -13.563 34.530 1.00 21.72 ? 446 MET A O 1 ATOM 3561 C CB . MET A 1 446 ? -12.840 -11.922 32.710 1.00 23.89 ? 446 MET A CB 1 ATOM 3562 C CG . MET A 1 446 ? -13.740 -11.316 31.633 1.00 26.59 ? 446 MET A CG 1 ATOM 3563 S SD . MET A 1 446 ? -14.189 -12.368 30.225 1.00 24.00 ? 446 MET A SD 1 ATOM 3564 C CE . MET A 1 446 ? -15.754 -12.934 30.881 1.00 24.12 ? 446 MET A CE 1 ATOM 3565 N N . PRO A 1 447 ? -11.624 -15.061 32.889 1.00 23.28 ? 447 PRO A N 1 ATOM 3566 C CA . PRO A 1 447 ? -10.200 -15.539 32.959 1.00 24.46 ? 447 PRO A CA 1 ATOM 3567 C C . PRO A 1 447 ? -9.189 -14.437 32.657 1.00 22.78 ? 447 PRO A C 1 ATOM 3568 O O . PRO A 1 447 ? -9.491 -13.422 32.056 1.00 19.94 ? 447 PRO A O 1 ATOM 3569 C CB . PRO A 1 447 ? -10.107 -16.701 31.942 1.00 23.65 ? 447 PRO A CB 1 ATOM 3570 C CG . PRO A 1 447 ? -11.559 -16.955 31.492 1.00 24.42 ? 447 PRO A CG 1 ATOM 3571 C CD . PRO A 1 447 ? -12.433 -15.799 31.914 1.00 22.02 ? 447 PRO A CD 1 ATOM 3572 N N . GLY A 1 448 ? -8.001 -14.638 33.168 1.00 21.77 ? 448 GLY A N 1 ATOM 3573 C CA . GLY A 1 448 ? -6.946 -13.651 33.086 1.00 23.42 ? 448 GLY A CA 1 ATOM 3574 C C . GLY A 1 448 ? -6.252 -13.655 31.739 1.00 22.38 ? 448 GLY A C 1 ATOM 3575 O O . GLY A 1 448 ? -6.540 -14.452 30.850 1.00 19.80 ? 448 GLY A O 1 ATOM 3576 N N . TYR A 1 449 ? -5.284 -12.766 31.638 1.00 24.08 ? 449 TYR A N 1 ATOM 3577 C CA . TYR A 1 449 ? -4.615 -12.493 30.353 1.00 25.57 ? 449 TYR A CA 1 ATOM 3578 C C . TYR A 1 449 ? -3.964 -13.730 29.719 1.00 24.31 ? 449 TYR A C 1 ATOM 3579 O O . TYR A 1 449 ? -4.155 -14.015 28.525 1.00 21.82 ? 449 TYR A O 1 ATOM 3580 C CB . TYR A 1 449 ? -3.641 -11.322 30.558 1.00 24.80 ? 449 TYR A CB 1 ATOM 3581 C CG . TYR A 1 449 ? -2.732 -11.038 29.438 1.00 25.28 ? 449 TYR A CG 1 ATOM 3582 C CD1 . TYR A 1 449 ? -3.179 -10.308 28.329 1.00 25.39 ? 449 TYR A CD1 1 ATOM 3583 C CD2 . TYR A 1 449 ? -1.405 -11.457 29.473 1.00 25.59 ? 449 TYR A CD2 1 ATOM 3584 C CE1 . TYR A 1 449 ? -2.329 -9.993 27.280 1.00 27.65 ? 449 TYR A CE1 1 ATOM 3585 C CE2 . TYR A 1 449 ? -0.537 -11.173 28.397 1.00 26.68 ? 449 TYR A CE2 1 ATOM 3586 C CZ . TYR A 1 449 ? -1.003 -10.425 27.312 1.00 26.03 ? 449 TYR A CZ 1 ATOM 3587 O OH . TYR A 1 449 ? -0.191 -10.096 26.267 1.00 24.77 ? 449 TYR A OH 1 ATOM 3588 N N . ASN A 1 450 ? -3.279 -14.521 30.534 1.00 24.89 ? 450 ASN A N 1 ATOM 3589 C CA . ASN A 1 450 ? -2.605 -15.745 30.019 1.00 25.77 ? 450 ASN A CA 1 ATOM 3590 C C . ASN A 1 450 ? -3.516 -16.855 29.558 1.00 27.02 ? 450 ASN A C 1 ATOM 3591 O O . ASN A 1 450 ? -3.198 -17.509 28.533 1.00 26.07 ? 450 ASN A O 1 ATOM 3592 C CB . ASN A 1 450 ? -1.502 -16.238 30.942 1.00 26.11 ? 450 ASN A CB 1 ATOM 3593 C CG . ASN A 1 450 ? -0.186 -15.524 30.647 1.00 28.38 ? 450 ASN A CG 1 ATOM 3594 O OD1 . ASN A 1 450 ? 0.029 -14.989 29.526 1.00 30.36 ? 450 ASN A OD1 1 ATOM 3595 N ND2 . ASN A 1 450 ? 0.669 -15.483 31.608 1.00 28.81 ? 450 ASN A ND2 1 ATOM 3596 N N . SER A 1 451 ? -4.678 -17.000 30.203 1.00 23.12 ? 451 SER A N 1 ATOM 3597 C CA . SER A 1 451 ? -5.675 -17.926 29.718 1.00 22.99 ? 451 SER A CA 1 ATOM 3598 C C . SER A 1 451 ? -6.104 -17.542 28.325 1.00 24.25 ? 451 SER A C 1 ATOM 3599 O O . SER A 1 451 ? -6.248 -18.413 27.469 1.00 20.35 ? 451 SER A O 1 ATOM 3600 C CB . SER A 1 451 ? -6.919 -17.940 30.625 1.00 23.95 ? 451 SER A CB 1 ATOM 3601 O OG . SER A 1 451 ? -6.584 -18.382 31.922 1.00 25.39 ? 451 SER A OG 1 ATOM 3602 N N . TRP A 1 452 ? -6.293 -16.231 28.071 1.00 23.34 ? 452 TRP A N 1 ATOM 3603 C CA . TRP A 1 452 ? -6.761 -15.809 26.733 1.00 22.13 ? 452 TRP A CA 1 ATOM 3604 C C . TRP A 1 452 ? -5.638 -15.939 25.678 1.00 23.87 ? 452 TRP A C 1 ATOM 3605 O O . TRP A 1 452 ? -5.889 -16.323 24.526 1.00 27.35 ? 452 TRP A O 1 ATOM 3606 C CB . TRP A 1 452 ? -7.435 -14.411 26.796 1.00 20.49 ? 452 TRP A CB 1 ATOM 3607 C CG . TRP A 1 452 ? -8.722 -14.469 27.535 1.00 20.14 ? 452 TRP A CG 1 ATOM 3608 C CD1 . TRP A 1 452 ? -8.990 -13.960 28.786 1.00 20.91 ? 452 TRP A CD1 1 ATOM 3609 C CD2 . TRP A 1 452 ? -9.887 -15.200 27.140 1.00 19.42 ? 452 TRP A CD2 1 ATOM 3610 N NE1 . TRP A 1 452 ? -10.304 -14.280 29.147 1.00 20.97 ? 452 TRP A NE1 1 ATOM 3611 C CE2 . TRP A 1 452 ? -10.855 -15.065 28.184 1.00 19.32 ? 452 TRP A CE2 1 ATOM 3612 C CE3 . TRP A 1 452 ? -10.216 -15.962 25.997 1.00 20.89 ? 452 TRP A CE3 1 ATOM 3613 C CZ2 . TRP A 1 452 ? -12.157 -15.657 28.119 1.00 19.26 ? 452 TRP A CZ2 1 ATOM 3614 C CZ3 . TRP A 1 452 ? -11.534 -16.512 25.904 1.00 20.35 ? 452 TRP A CZ3 1 ATOM 3615 C CH2 . TRP A 1 452 ? -12.468 -16.375 26.982 1.00 20.09 ? 452 TRP A CH2 1 ATOM 3616 N N . ARG A 1 453 ? -4.393 -15.694 26.075 1.00 26.45 ? 453 ARG A N 1 ATOM 3617 C CA . ARG A 1 453 ? -3.259 -15.877 25.130 1.00 25.52 ? 453 ARG A CA 1 ATOM 3618 C C . ARG A 1 453 ? -3.267 -17.360 24.724 1.00 26.19 ? 453 ARG A C 1 ATOM 3619 O O . ARG A 1 453 ? -3.238 -17.669 23.533 1.00 24.47 ? 453 ARG A O 1 ATOM 3620 C CB . ARG A 1 453 ? -1.948 -15.508 25.791 1.00 25.44 ? 453 ARG A CB 1 ATOM 3621 C CG . ARG A 1 453 ? -1.823 -14.013 26.184 1.00 26.98 ? 453 ARG A CG 1 ATOM 3622 C CD . ARG A 1 453 ? -1.402 -13.139 25.002 1.00 26.40 ? 453 ARG A CD 1 ATOM 3623 N NE . ARG A 1 453 ? -0.035 -13.425 24.536 1.00 28.13 ? 453 ARG A NE 1 ATOM 3624 C CZ . ARG A 1 453 ? 0.569 -12.879 23.472 1.00 29.22 ? 453 ARG A CZ 1 ATOM 3625 N NH1 . ARG A 1 453 ? -0.009 -11.932 22.745 1.00 25.92 ? 453 ARG A NH1 1 ATOM 3626 N NH2 . ARG A 1 453 ? 1.807 -13.275 23.163 1.00 29.99 ? 453 ARG A NH2 1 ATOM 3627 N N . GLY A 1 454 ? -3.342 -18.247 25.723 1.00 24.83 ? 454 GLY A N 1 ATOM 3628 C CA . GLY A 1 454 ? -3.474 -19.714 25.513 1.00 26.57 ? 454 GLY A CA 1 ATOM 3629 C C . GLY A 1 454 ? -4.608 -20.094 24.574 1.00 26.55 ? 454 GLY A C 1 ATOM 3630 O O . GLY A 1 454 ? -4.404 -20.799 23.607 1.00 29.75 ? 454 GLY A O 1 ATOM 3631 N N . PHE A 1 455 ? -5.792 -19.548 24.800 1.00 26.54 ? 455 PHE A N 1 ATOM 3632 C CA . PHE A 1 455 ? -6.944 -19.768 23.921 1.00 25.38 ? 455 PHE A CA 1 ATOM 3633 C C . PHE A 1 455 ? -6.713 -19.394 22.471 1.00 25.70 ? 455 PHE A C 1 ATOM 3634 O O . PHE A 1 455 ? -7.250 -20.047 21.568 1.00 22.83 ? 455 PHE A O 1 ATOM 3635 C CB . PHE A 1 455 ? -8.091 -18.950 24.488 1.00 29.81 ? 455 PHE A CB 1 ATOM 3636 C CG . PHE A 1 455 ? -9.384 -19.009 23.711 1.00 28.26 ? 455 PHE A CG 1 ATOM 3637 C CD1 . PHE A 1 455 ? -10.268 -20.038 23.903 1.00 28.66 ? 455 PHE A CD1 1 ATOM 3638 C CD2 . PHE A 1 455 ? -9.727 -17.984 22.868 1.00 28.35 ? 455 PHE A CD2 1 ATOM 3639 C CE1 . PHE A 1 455 ? -11.477 -20.055 23.248 1.00 28.39 ? 455 PHE A CE1 1 ATOM 3640 C CE2 . PHE A 1 455 ? -10.923 -18.002 22.187 1.00 28.81 ? 455 PHE A CE2 1 ATOM 3641 C CZ . PHE A 1 455 ? -11.814 -19.024 22.397 1.00 29.85 ? 455 PHE A CZ 1 ATOM 3642 N N . CYS A 1 456 ? -5.935 -18.342 22.259 1.00 25.13 ? 456 CYS A N 1 ATOM 3643 C CA . CYS A 1 456 ? -5.600 -17.824 20.931 1.00 27.65 ? 456 CYS A CA 1 ATOM 3644 C C . CYS A 1 456 ? -4.317 -18.423 20.326 1.00 30.51 ? 456 CYS A C 1 ATOM 3645 O O . CYS A 1 456 ? -3.905 -18.058 19.210 1.00 31.60 ? 456 CYS A O 1 ATOM 3646 C CB . CYS A 1 456 ? -5.530 -16.279 21.003 1.00 29.70 ? 456 CYS A CB 1 ATOM 3647 S SG . CYS A 1 456 ? -7.172 -15.519 21.185 1.00 28.95 ? 456 CYS A SG 1 ATOM 3648 N N . GLY A 1 457 ? -3.708 -19.380 21.019 1.00 29.91 ? 457 GLY A N 1 ATOM 3649 C CA . GLY A 1 457 ? -2.501 -19.981 20.532 1.00 30.92 ? 457 GLY A CA 1 ATOM 3650 C C . GLY A 1 457 ? -1.284 -19.067 20.664 1.00 34.09 ? 457 GLY A C 1 ATOM 3651 O O . GLY A 1 457 ? -0.295 -19.252 19.964 1.00 35.44 ? 457 GLY A O 1 ATOM 3652 N N . LEU A 1 458 ? -1.335 -18.080 21.569 1.00 33.03 ? 458 LEU A N 1 ATOM 3653 C CA . LEU A 1 458 ? -0.259 -17.132 21.720 1.00 29.93 ? 458 LEU A CA 1 ATOM 3654 C C . LEU A 1 458 ? 0.562 -17.516 22.936 1.00 32.80 ? 458 LEU A C 1 ATOM 3655 O O . LEU A 1 458 ? 0.046 -18.184 23.839 1.00 27.96 ? 458 LEU A O 1 ATOM 3656 C CB . LEU A 1 458 ? -0.809 -15.717 21.877 1.00 27.29 ? 458 LEU A CB 1 ATOM 3657 C CG . LEU A 1 458 ? -1.639 -15.229 20.700 1.00 28.91 ? 458 LEU A CG 1 ATOM 3658 C CD1 . LEU A 1 458 ? -2.445 -13.980 21.073 1.00 29.50 ? 458 LEU A CD1 1 ATOM 3659 C CD2 . LEU A 1 458 ? -0.813 -14.971 19.405 1.00 29.56 ? 458 LEU A CD2 1 ATOM 3660 N N . SER A 1 459 ? 1.812 -17.026 22.975 1.00 31.41 ? 459 SER A N 1 ATOM 3661 C CA . SER A 1 459 ? 2.738 -17.289 24.063 1.00 32.54 ? 459 SER A CA 1 ATOM 3662 C C . SER A 1 459 ? 2.205 -16.669 25.344 1.00 31.32 ? 459 SER A C 1 ATOM 3663 O O . SER A 1 459 ? 1.465 -15.692 25.308 1.00 32.05 ? 459 SER A O 1 ATOM 3664 C CB . SER A 1 459 ? 4.104 -16.691 23.740 1.00 33.80 ? 459 SER A CB 1 ATOM 3665 O OG . SER A 1 459 ? 4.011 -15.280 23.604 1.00 36.07 ? 459 SER A OG 1 ATOM 3666 N N . GLN A 1 460 ? 2.547 -17.279 26.466 1.00 32.03 ? 460 GLN A N 1 ATOM 3667 C CA . GLN A 1 460 ? 2.142 -16.846 27.800 1.00 31.95 ? 460 GLN A CA 1 ATOM 3668 C C . GLN A 1 460 ? 3.270 -16.412 28.684 1.00 28.18 ? 460 GLN A C 1 ATOM 3669 O O . GLN A 1 460 ? 3.877 -17.235 29.380 1.00 30.43 ? 460 GLN A O 1 ATOM 3670 C CB . GLN A 1 460 ? 1.430 -18.012 28.478 1.00 33.95 ? 460 GLN A CB 1 ATOM 3671 C CG . GLN A 1 460 ? 0.113 -18.341 27.845 1.00 33.57 ? 460 GLN A CG 1 ATOM 3672 C CD . GLN A 1 460 ? -0.475 -19.562 28.474 1.00 37.48 ? 460 GLN A CD 1 ATOM 3673 O OE1 . GLN A 1 460 ? -0.865 -19.538 29.646 1.00 50.17 ? 460 GLN A OE1 1 ATOM 3674 N NE2 . GLN A 1 460 ? -0.534 -20.631 27.730 1.00 35.59 ? 460 GLN A NE2 1 ATOM 3675 N N . PRO A 1 461 ? 3.532 -15.106 28.746 1.00 29.22 ? 461 PRO A N 1 ATOM 3676 C CA . PRO A 1 461 ? 4.656 -14.643 29.573 1.00 27.98 ? 461 PRO A CA 1 ATOM 3677 C C . PRO A 1 461 ? 4.425 -14.876 31.063 1.00 31.46 ? 461 PRO A C 1 ATOM 3678 O O . PRO A 1 461 ? 3.371 -14.573 31.559 1.00 32.81 ? 461 PRO A O 1 ATOM 3679 C CB . PRO A 1 461 ? 4.689 -13.149 29.275 1.00 31.18 ? 461 PRO A CB 1 ATOM 3680 C CG . PRO A 1 461 ? 3.315 -12.787 28.837 1.00 29.27 ? 461 PRO A CG 1 ATOM 3681 C CD . PRO A 1 461 ? 2.890 -13.988 28.034 1.00 29.95 ? 461 PRO A CD 1 ATOM 3682 N N . LYS A 1 462 ? 5.405 -15.436 31.751 1.00 33.76 ? 462 LYS A N 1 ATOM 3683 C CA . LYS A 1 462 ? 5.381 -15.630 33.184 1.00 35.03 ? 462 LYS A CA 1 ATOM 3684 C C . LYS A 1 462 ? 6.300 -14.717 33.969 1.00 33.91 ? 462 LYS A C 1 ATOM 3685 O O . LYS A 1 462 ? 6.180 -14.650 35.197 1.00 36.81 ? 462 LYS A O 1 ATOM 3686 C CB . LYS A 1 462 ? 5.734 -17.077 33.519 1.00 36.76 ? 462 LYS A CB 1 ATOM 3687 C CG . LYS A 1 462 ? 4.918 -18.092 32.779 1.00 38.00 ? 462 LYS A CG 1 ATOM 3688 C CD . LYS A 1 462 ? 3.492 -18.115 33.302 1.00 44.73 ? 462 LYS A CD 1 ATOM 3689 C CE . LYS A 1 462 ? 2.615 -18.868 32.326 1.00 48.08 ? 462 LYS A CE 1 ATOM 3690 N NZ . LYS A 1 462 ? 1.202 -18.891 32.750 1.00 49.44 ? 462 LYS A NZ 1 ATOM 3691 N N . THR A 1 463 ? 7.211 -14.023 33.285 1.00 30.84 ? 463 THR A N 1 ATOM 3692 C CA . THR A 1 463 ? 8.195 -13.202 33.925 1.00 27.92 ? 463 THR A CA 1 ATOM 3693 C C . THR A 1 463 ? 8.107 -11.817 33.328 1.00 29.54 ? 463 THR A C 1 ATOM 3694 O O . THR A 1 463 ? 7.478 -11.612 32.264 1.00 25.82 ? 463 THR A O 1 ATOM 3695 C CB . THR A 1 463 ? 9.620 -13.726 33.703 1.00 28.47 ? 463 THR A CB 1 ATOM 3696 O OG1 . THR A 1 463 ? 10.026 -13.548 32.335 1.00 31.92 ? 463 THR A OG1 1 ATOM 3697 C CG2 . THR A 1 463 ? 9.751 -15.164 34.047 1.00 29.69 ? 463 THR A CG2 1 ATOM 3698 N N . LEU A 1 464 ? 8.767 -10.883 34.020 1.00 27.87 ? 464 LEU A N 1 ATOM 3699 C CA . LEU A 1 464 ? 8.946 -9.545 33.550 1.00 30.09 ? 464 LEU A CA 1 ATOM 3700 C C . LEU A 1 464 ? 9.605 -9.505 32.158 1.00 32.78 ? 464 LEU A C 1 ATOM 3701 O O . LEU A 1 464 ? 9.097 -8.838 31.277 1.00 30.46 ? 464 LEU A O 1 ATOM 3702 C CB . LEU A 1 464 ? 9.744 -8.711 34.564 1.00 32.65 ? 464 LEU A CB 1 ATOM 3703 C CG . LEU A 1 464 ? 10.138 -7.309 34.068 1.00 35.51 ? 464 LEU A CG 1 ATOM 3704 C CD1 . LEU A 1 464 ? 8.936 -6.463 33.714 1.00 36.97 ? 464 LEU A CD1 1 ATOM 3705 C CD2 . LEU A 1 464 ? 10.947 -6.594 35.134 1.00 39.37 ? 464 LEU A CD2 1 ATOM 3706 N N . LYS A 1 465 ? 10.688 -10.248 31.940 1.00 31.39 ? 465 LYS A N 1 ATOM 3707 C CA . LYS A 1 465 ? 11.341 -10.209 30.631 1.00 37.13 ? 465 LYS A CA 1 ATOM 3708 C C . LYS A 1 465 ? 10.368 -10.694 29.554 1.00 33.11 ? 465 LYS A C 1 ATOM 3709 O O . LYS A 1 465 ? 10.348 -10.143 28.485 1.00 34.86 ? 465 LYS A O 1 ATOM 3710 C CB . LYS A 1 465 ? 12.637 -11.071 30.586 1.00 45.23 ? 465 LYS A CB 1 ATOM 3711 C CG . LYS A 1 465 ? 13.801 -10.428 29.852 1.00 56.45 ? 465 LYS A CG 1 ATOM 3712 C CD . LYS A 1 465 ? 14.549 -9.450 30.754 1.00 67.49 ? 465 LYS A CD 1 ATOM 3713 C CE . LYS A 1 465 ? 15.591 -8.644 29.972 1.00 76.80 ? 465 LYS A CE 1 ATOM 3714 N NZ . LYS A 1 465 ? 16.211 -7.533 30.758 1.00 76.39 ? 465 LYS A NZ 1 ATOM 3715 N N . GLY A 1 466 ? 9.599 -11.743 29.844 1.00 27.00 ? 466 GLY A N 1 ATOM 3716 C CA . GLY A 1 466 ? 8.589 -12.273 28.923 1.00 27.75 ? 466 GLY A CA 1 ATOM 3717 C C . GLY A 1 466 ? 7.518 -11.223 28.565 1.00 27.48 ? 466 GLY A C 1 ATOM 3718 O O . GLY A 1 466 ? 7.203 -11.015 27.392 1.00 25.16 ? 466 GLY A O 1 ATOM 3719 N N . LEU A 1 467 ? 6.982 -10.550 29.573 1.00 27.49 ? 467 LEU A N 1 ATOM 3720 C CA . LEU A 1 467 ? 5.982 -9.510 29.356 1.00 27.95 ? 467 LEU A CA 1 ATOM 3721 C C . LEU A 1 467 ? 6.504 -8.314 28.564 1.00 27.94 ? 467 LEU A C 1 ATOM 3722 O O . LEU A 1 467 ? 5.781 -7.803 27.728 1.00 29.91 ? 467 LEU A O 1 ATOM 3723 C CB . LEU A 1 467 ? 5.365 -9.044 30.690 1.00 26.74 ? 467 LEU A CB 1 ATOM 3724 C CG . LEU A 1 467 ? 4.139 -8.131 30.599 1.00 25.92 ? 467 LEU A CG 1 ATOM 3725 C CD1 . LEU A 1 467 ? 2.916 -8.848 30.025 1.00 27.54 ? 467 LEU A CD1 1 ATOM 3726 C CD2 . LEU A 1 467 ? 3.817 -7.676 32.014 1.00 29.12 ? 467 LEU A CD2 1 ATOM 3727 N N . GLN A 1 468 ? 7.744 -7.897 28.820 1.00 29.44 ? 468 GLN A N 1 ATOM 3728 C CA . GLN A 1 468 ? 8.427 -6.825 28.080 1.00 31.71 ? 468 GLN A CA 1 ATOM 3729 C C . GLN A 1 468 ? 8.487 -7.102 26.601 1.00 29.58 ? 468 GLN A C 1 ATOM 3730 O O . GLN A 1 468 ? 8.273 -6.203 25.788 1.00 30.64 ? 468 GLN A O 1 ATOM 3731 C CB . GLN A 1 468 ? 9.890 -6.732 28.441 1.00 38.20 ? 468 GLN A CB 1 ATOM 3732 C CG . GLN A 1 468 ? 10.216 -6.235 29.811 1.00 43.14 ? 468 GLN A CG 1 ATOM 3733 C CD . GLN A 1 468 ? 11.709 -6.322 30.065 1.00 46.34 ? 468 GLN A CD 1 ATOM 3734 O OE1 . GLN A 1 468 ? 12.521 -6.498 29.137 1.00 52.76 ? 468 GLN A OE1 1 ATOM 3735 N NE2 . GLN A 1 468 ? 12.082 -6.171 31.305 1.00 53.32 ? 468 GLN A NE2 1 ATOM 3736 N N . THR A 1 469 ? 8.776 -8.341 26.276 1.00 26.74 ? 469 THR A N 1 ATOM 3737 C CA . THR A 1 469 ? 8.802 -8.803 24.922 1.00 29.80 ? 469 THR A CA 1 ATOM 3738 C C . THR A 1 469 ? 7.440 -8.808 24.226 1.00 29.85 ? 469 THR A C 1 ATOM 3739 O O . THR A 1 469 ? 7.377 -8.431 23.039 1.00 32.59 ? 469 THR A O 1 ATOM 3740 C CB . THR A 1 469 ? 9.377 -10.246 24.858 1.00 29.83 ? 469 THR A CB 1 ATOM 3741 O OG1 . THR A 1 469 ? 10.582 -10.271 25.595 1.00 34.83 ? 469 THR A OG1 1 ATOM 3742 C CG2 . THR A 1 469 ? 9.669 -10.683 23.427 1.00 32.03 ? 469 THR A CG2 1 ATOM 3743 N N . VAL A 1 470 ? 6.393 -9.307 24.900 1.00 26.87 ? 470 VAL A N 1 ATOM 3744 C CA . VAL A 1 470 ? 5.018 -9.371 24.293 1.00 26.45 ? 470 VAL A CA 1 ATOM 3745 C C . VAL A 1 470 ? 4.457 -7.952 24.143 1.00 26.30 ? 470 VAL A C 1 ATOM 3746 O O . VAL A 1 470 ? 3.901 -7.588 23.103 1.00 28.42 ? 470 VAL A O 1 ATOM 3747 C CB . VAL A 1 470 ? 4.036 -10.173 25.145 1.00 28.38 ? 470 VAL A CB 1 ATOM 3748 C CG1 . VAL A 1 470 ? 2.672 -10.198 24.494 1.00 29.33 ? 470 VAL A CG1 1 ATOM 3749 C CG2 . VAL A 1 470 ? 4.507 -11.610 25.346 1.00 30.76 ? 470 VAL A CG2 1 ATOM 3750 N N . LEU A 1 471 ? 4.634 -7.135 25.165 1.00 24.09 ? 471 LEU A N 1 ATOM 3751 C CA . LEU A 1 471 ? 4.194 -5.763 25.109 1.00 23.06 ? 471 LEU A CA 1 ATOM 3752 C C . LEU A 1 471 ? 5.100 -4.842 24.292 1.00 25.68 ? 471 LEU A C 1 ATOM 3753 O O . LEU A 1 471 ? 4.680 -3.749 23.923 1.00 26.96 ? 471 LEU A O 1 ATOM 3754 C CB . LEU A 1 471 ? 4.026 -5.223 26.522 1.00 22.56 ? 471 LEU A CB 1 ATOM 3755 C CG . LEU A 1 471 ? 3.033 -6.050 27.375 1.00 22.75 ? 471 LEU A CG 1 ATOM 3756 C CD1 . LEU A 1 471 ? 2.647 -5.214 28.600 1.00 22.47 ? 471 LEU A CD1 1 ATOM 3757 C CD2 . LEU A 1 471 ? 1.777 -6.578 26.651 1.00 20.64 ? 471 LEU A CD2 1 ATOM 3758 N N . LYS A 1 472 ? 6.337 -5.272 24.034 1.00 26.53 ? 472 LYS A N 1 ATOM 3759 C CA . LYS A 1 472 ? 7.333 -4.483 23.357 1.00 26.80 ? 472 LYS A CA 1 ATOM 3760 C C . LYS A 1 472 ? 7.509 -3.183 24.082 1.00 29.11 ? 472 LYS A C 1 ATOM 3761 O O . LYS A 1 472 ? 7.619 -2.120 23.472 1.00 28.55 ? 472 LYS A O 1 ATOM 3762 C CB . LYS A 1 472 ? 6.981 -4.326 21.843 1.00 29.07 ? 472 LYS A CB 1 ATOM 3763 C CG . LYS A 1 472 ? 6.931 -5.669 21.140 1.00 28.60 ? 472 LYS A CG 1 ATOM 3764 C CD . LYS A 1 472 ? 6.987 -5.525 19.653 1.00 36.54 ? 472 LYS A CD 1 ATOM 3765 C CE . LYS A 1 472 ? 6.117 -6.621 19.037 1.00 38.20 ? 472 LYS A CE 1 ATOM 3766 N NZ . LYS A 1 472 ? 6.792 -7.021 17.824 1.00 38.25 ? 472 LYS A NZ 1 ATOM 3767 N N . ASN A 1 473 ? 7.517 -3.263 25.413 1.00 29.33 ? 473 ASN A N 1 ATOM 3768 C CA . ASN A 1 473 ? 7.550 -2.071 26.203 1.00 30.64 ? 473 ASN A CA 1 ATOM 3769 C C . ASN A 1 473 ? 7.949 -2.387 27.624 1.00 33.10 ? 473 ASN A C 1 ATOM 3770 O O . ASN A 1 473 ? 7.138 -2.908 28.415 1.00 29.85 ? 473 ASN A O 1 ATOM 3771 C CB . ASN A 1 473 ? 6.205 -1.346 26.173 1.00 30.46 ? 473 ASN A CB 1 ATOM 3772 C CG . ASN A 1 473 ? 6.249 0.019 26.858 1.00 32.84 ? 473 ASN A CG 1 ATOM 3773 O OD1 . ASN A 1 473 ? 6.840 0.167 27.908 1.00 29.13 ? 473 ASN A OD1 1 ATOM 3774 N ND2 . ASN A 1 473 ? 5.530 0.991 26.296 1.00 31.44 ? 473 ASN A ND2 1 ATOM 3775 N N . LYS A 1 474 ? 9.183 -1.991 27.945 1.00 35.91 ? 474 LYS A N 1 ATOM 3776 C CA . LYS A 1 474 ? 9.796 -2.232 29.271 1.00 36.39 ? 474 LYS A CA 1 ATOM 3777 C C . LYS A 1 474 ? 9.117 -1.575 30.485 1.00 32.27 ? 474 LYS A C 1 ATOM 3778 O O . LYS A 1 474 ? 8.941 -2.247 31.491 1.00 28.22 ? 474 LYS A O 1 ATOM 3779 C CB . LYS A 1 474 ? 11.304 -1.906 29.270 1.00 41.49 ? 474 LYS A CB 1 ATOM 3780 C CG . LYS A 1 474 ? 12.196 -3.117 29.115 1.00 47.62 ? 474 LYS A CG 1 ATOM 3781 C CD . LYS A 1 474 ? 13.686 -2.826 29.376 1.00 58.26 ? 474 LYS A CD 1 ATOM 3782 C CE . LYS A 1 474 ? 14.593 -3.873 28.696 1.00 62.21 ? 474 LYS A CE 1 ATOM 3783 N NZ . LYS A 1 474 ? 16.069 -3.630 28.667 1.00 61.59 ? 474 LYS A NZ 1 ATOM 3784 N N . ILE A 1 475 ? 8.754 -0.289 30.375 1.00 29.19 ? 475 ILE A N 1 ATOM 3785 C CA . ILE A 1 475 ? 8.164 0.480 31.480 1.00 32.56 ? 475 ILE A CA 1 ATOM 3786 C C . ILE A 1 475 ? 6.755 -0.008 31.777 1.00 28.53 ? 475 ILE A C 1 ATOM 3787 O O . ILE A 1 475 ? 6.364 -0.154 32.923 1.00 29.17 ? 475 ILE A O 1 ATOM 3788 C CB . ILE A 1 475 ? 8.059 2.018 31.168 1.00 37.21 ? 475 ILE A CB 1 ATOM 3789 C CG1 . ILE A 1 475 ? 9.421 2.640 30.885 1.00 45.33 ? 475 ILE A CG1 1 ATOM 3790 C CG2 . ILE A 1 475 ? 7.477 2.790 32.345 1.00 38.02 ? 475 ILE A CG2 1 ATOM 3791 C CD1 . ILE A 1 475 ? 9.314 3.819 29.932 1.00 52.53 ? 475 ILE A CD1 1 ATOM 3792 N N . LEU A 1 476 ? 5.973 -0.185 30.720 1.00 28.26 ? 476 LEU A N 1 ATOM 3793 C CA . LEU A 1 476 ? 4.617 -0.624 30.864 1.00 27.82 ? 476 LEU A CA 1 ATOM 3794 C C . LEU A 1 476 ? 4.636 -2.018 31.472 1.00 27.42 ? 476 LEU A C 1 ATOM 3795 O O . LEU A 1 476 ? 3.922 -2.267 32.437 1.00 25.20 ? 476 LEU A O 1 ATOM 3796 C CB . LEU A 1 476 ? 3.898 -0.581 29.537 1.00 28.45 ? 476 LEU A CB 1 ATOM 3797 C CG . LEU A 1 476 ? 2.464 -1.118 29.598 1.00 30.01 ? 476 LEU A CG 1 ATOM 3798 C CD1 . LEU A 1 476 ? 1.583 -0.352 30.574 1.00 29.02 ? 476 LEU A CD1 1 ATOM 3799 C CD2 . LEU A 1 476 ? 1.863 -1.142 28.201 1.00 30.38 ? 476 LEU A CD2 1 ATOM 3800 N N . ALA A 1 477 ? 5.517 -2.892 30.989 1.00 25.54 ? 477 ALA A N 1 ATOM 3801 C CA . ALA A 1 477 ? 5.607 -4.265 31.627 1.00 29.28 ? 477 ALA A CA 1 ATOM 3802 C C . ALA A 1 477 ? 5.962 -4.226 33.109 1.00 29.02 ? 477 ALA A C 1 ATOM 3803 O O . ALA A 1 477 ? 5.380 -4.972 33.882 1.00 25.36 ? 477 ALA A O 1 ATOM 3804 C CB . ALA A 1 477 ? 6.625 -5.159 30.917 1.00 29.30 ? 477 ALA A CB 1 ATOM 3805 N N . LYS A 1 478 ? 6.915 -3.359 33.507 1.00 29.24 ? 478 LYS A N 1 ATOM 3806 C CA . LYS A 1 478 ? 7.300 -3.276 34.898 1.00 28.23 ? 478 LYS A CA 1 ATOM 3807 C C . LYS A 1 478 ? 6.148 -2.761 35.788 1.00 28.34 ? 478 LYS A C 1 ATOM 3808 O O . LYS A 1 478 ? 5.957 -3.257 36.895 1.00 26.37 ? 478 LYS A O 1 ATOM 3809 C CB . LYS A 1 478 ? 8.548 -2.378 35.051 1.00 35.92 ? 478 LYS A CB 1 ATOM 3810 C CG . LYS A 1 478 ? 9.046 -2.249 36.504 1.00 38.91 ? 478 LYS A CG 1 ATOM 3811 C CD . LYS A 1 478 ? 9.366 -0.811 36.872 1.00 50.93 ? 478 LYS A CD 1 ATOM 3812 C CE . LYS A 1 478 ? 9.529 -0.595 38.386 1.00 54.73 ? 478 LYS A CE 1 ATOM 3813 N NZ . LYS A 1 478 ? 10.420 0.578 38.688 1.00 58.85 ? 478 LYS A NZ 1 ATOM 3814 N N . LYS A 1 479 ? 5.445 -1.711 35.334 1.00 27.05 ? 479 LYS A N 1 ATOM 3815 C CA . LYS A 1 479 ? 4.267 -1.161 36.039 1.00 26.37 ? 479 LYS A CA 1 ATOM 3816 C C . LYS A 1 479 ? 3.149 -2.202 36.167 1.00 26.53 ? 479 LYS A C 1 ATOM 3817 O O . LYS A 1 479 ? 2.586 -2.350 37.234 1.00 25.82 ? 479 LYS A O 1 ATOM 3818 C CB . LYS A 1 479 ? 3.717 0.080 35.352 1.00 26.01 ? 479 LYS A CB 1 ATOM 3819 C CG . LYS A 1 479 ? 4.578 1.275 35.453 1.00 28.37 ? 479 LYS A CG 1 ATOM 3820 C CD . LYS A 1 479 ? 4.004 2.432 34.659 1.00 29.41 ? 479 LYS A CD 1 ATOM 3821 C CE . LYS A 1 479 ? 4.920 3.602 34.808 1.00 34.05 ? 479 LYS A CE 1 ATOM 3822 N NZ . LYS A 1 479 ? 4.425 4.778 34.025 1.00 35.51 ? 479 LYS A NZ 1 ATOM 3823 N N . LEU A 1 480 ? 2.893 -2.972 35.117 1.00 25.89 ? 480 LEU A N 1 ATOM 3824 C CA . LEU A 1 480 ? 1.945 -4.063 35.239 1.00 26.15 ? 480 LEU A CA 1 ATOM 3825 C C . LEU A 1 480 ? 2.413 -5.154 36.229 1.00 27.72 ? 480 LEU A C 1 ATOM 3826 O O . LEU A 1 480 ? 1.617 -5.647 37.091 1.00 27.13 ? 480 LEU A O 1 ATOM 3827 C CB . LEU A 1 480 ? 1.641 -4.675 33.884 1.00 26.08 ? 480 LEU A CB 1 ATOM 3828 C CG . LEU A 1 480 ? 0.759 -3.811 32.969 1.00 24.63 ? 480 LEU A CG 1 ATOM 3829 C CD1 . LEU A 1 480 ? 0.940 -4.282 31.537 1.00 23.23 ? 480 LEU A CD1 1 ATOM 3830 C CD2 . LEU A 1 480 ? -0.677 -3.908 33.423 1.00 21.91 ? 480 LEU A CD2 1 ATOM 3831 N N . MET A 1 481 ? 3.668 -5.549 36.122 1.00 25.11 ? 481 MET A N 1 ATOM 3832 C CA . MET A 1 481 ? 4.179 -6.513 37.118 1.00 29.06 ? 481 MET A CA 1 ATOM 3833 C C . MET A 1 481 ? 4.093 -6.008 38.573 1.00 30.54 ? 481 MET A C 1 ATOM 3834 O O . MET A 1 481 ? 3.690 -6.760 39.452 1.00 28.70 ? 481 MET A O 1 ATOM 3835 C CB . MET A 1 481 ? 5.581 -6.974 36.782 1.00 27.97 ? 481 MET A CB 1 ATOM 3836 C CG . MET A 1 481 ? 5.624 -7.869 35.575 1.00 31.37 ? 481 MET A CG 1 ATOM 3837 S SD . MET A 1 481 ? 4.902 -9.518 35.847 1.00 39.88 ? 481 MET A SD 1 ATOM 3838 C CE . MET A 1 481 ? 6.296 -10.350 36.612 1.00 38.13 ? 481 MET A CE 1 ATOM 3839 N N . ASP A 1 482 ? 4.428 -4.734 38.825 1.00 29.31 ? 482 ASP A N 1 ATOM 3840 C CA . ASP A 1 482 ? 4.346 -4.217 40.177 1.00 28.94 ? 482 ASP A CA 1 ATOM 3841 C C . ASP A 1 482 ? 2.945 -4.304 40.741 1.00 30.75 ? 482 ASP A C 1 ATOM 3842 O O . ASP A 1 482 ? 2.803 -4.552 41.914 1.00 29.15 ? 482 ASP A O 1 ATOM 3843 C CB . ASP A 1 482 ? 4.759 -2.751 40.252 1.00 34.76 ? 482 ASP A CB 1 ATOM 3844 C CG . ASP A 1 482 ? 6.197 -2.546 39.987 1.00 40.90 ? 482 ASP A CG 1 ATOM 3845 O OD1 . ASP A 1 482 ? 6.995 -3.516 40.070 1.00 50.86 ? 482 ASP A OD1 1 ATOM 3846 O OD2 . ASP A 1 482 ? 6.546 -1.392 39.684 1.00 54.71 ? 482 ASP A OD2 1 ATOM 3847 N N . LEU A 1 483 ? 1.909 -4.080 39.917 1.00 30.33 ? 483 LEU A N 1 ATOM 3848 C CA . LEU A 1 483 ? 0.530 -4.131 40.402 1.00 27.62 ? 483 LEU A CA 1 ATOM 3849 C C . LEU A 1 483 ? -0.041 -5.532 40.488 1.00 24.99 ? 483 LEU A C 1 ATOM 3850 O O . LEU A 1 483 ? -0.804 -5.850 41.391 1.00 25.07 ? 483 LEU A O 1 ATOM 3851 C CB . LEU A 1 483 ? -0.400 -3.305 39.511 1.00 28.92 ? 483 LEU A CB 1 ATOM 3852 C CG . LEU A 1 483 ? -0.169 -1.819 39.674 1.00 32.40 ? 483 LEU A CG 1 ATOM 3853 C CD1 . LEU A 1 483 ? -0.976 -1.053 38.657 1.00 35.40 ? 483 LEU A CD1 1 ATOM 3854 C CD2 . LEU A 1 483 ? -0.497 -1.365 41.106 1.00 37.39 ? 483 LEU A CD2 1 ATOM 3855 N N . TYR A 1 484 ? 0.256 -6.318 39.482 1.00 25.85 ? 484 TYR A N 1 ATOM 3856 C CA . TYR A 1 484 ? -0.422 -7.618 39.306 1.00 26.46 ? 484 TYR A CA 1 ATOM 3857 C C . TYR A 1 484 ? 0.443 -8.817 39.748 1.00 25.94 ? 484 TYR A C 1 ATOM 3858 O O . TYR A 1 484 ? -0.077 -9.876 40.039 1.00 26.56 ? 484 TYR A O 1 ATOM 3859 C CB . TYR A 1 484 ? -0.850 -7.772 37.877 1.00 25.10 ? 484 TYR A CB 1 ATOM 3860 C CG . TYR A 1 484 ? -2.065 -7.028 37.453 1.00 23.54 ? 484 TYR A CG 1 ATOM 3861 C CD1 . TYR A 1 484 ? -3.340 -7.469 37.808 1.00 25.73 ? 484 TYR A CD1 1 ATOM 3862 C CD2 . TYR A 1 484 ? -1.976 -5.939 36.613 1.00 26.72 ? 484 TYR A CD2 1 ATOM 3863 C CE1 . TYR A 1 484 ? -4.475 -6.790 37.369 1.00 25.94 ? 484 TYR A CE1 1 ATOM 3864 C CE2 . TYR A 1 484 ? -3.102 -5.264 36.168 1.00 25.03 ? 484 TYR A CE2 1 ATOM 3865 C CZ . TYR A 1 484 ? -4.349 -5.694 36.529 1.00 25.29 ? 484 TYR A CZ 1 ATOM 3866 O OH . TYR A 1 484 ? -5.467 -5.030 36.055 1.00 23.53 ? 484 TYR A OH 1 ATOM 3867 N N . LYS A 1 485 ? 1.749 -8.622 39.834 1.00 25.72 ? 485 LYS A N 1 ATOM 3868 C CA . LYS A 1 485 ? 2.728 -9.662 40.197 1.00 28.33 ? 485 LYS A CA 1 ATOM 3869 C C . LYS A 1 485 ? 2.846 -10.829 39.302 1.00 28.18 ? 485 LYS A C 1 ATOM 3870 O O . LYS A 1 485 ? 3.699 -11.553 39.533 1.00 31.05 ? 485 LYS A O 1 ATOM 3871 C CB . LYS A 1 485 ? 2.470 -10.332 41.568 1.00 28.59 ? 485 LYS A CB 1 ATOM 3872 C CG . LYS A 1 485 ? 2.063 -9.403 42.638 1.00 33.15 ? 485 LYS A CG 1 ATOM 3873 C CD . LYS A 1 485 ? 3.120 -8.369 42.928 1.00 36.76 ? 485 LYS A CD 1 ATOM 3874 C CE . LYS A 1 485 ? 2.687 -7.523 44.121 1.00 45.06 ? 485 LYS A CE 1 ATOM 3875 N NZ . LYS A 1 485 ? 3.164 -6.120 43.990 1.00 48.01 ? 485 LYS A NZ 1 ATOM 3876 N N . THR A 1 486 ? 1.858 -11.172 38.499 1.00 27.68 ? 486 THR A N 1 ATOM 3877 C CA . THR A 1 486 ? 2.033 -12.248 37.564 1.00 24.08 ? 486 THR A CA 1 ATOM 3878 C C . THR A 1 486 ? 1.155 -11.831 36.433 1.00 22.51 ? 486 THR A C 1 ATOM 3879 O O . THR A 1 486 ? 0.030 -11.371 36.676 1.00 22.22 ? 486 THR A O 1 ATOM 3880 C CB . THR A 1 486 ? 1.714 -13.700 38.044 1.00 26.08 ? 486 THR A CB 1 ATOM 3881 O OG1 . THR A 1 486 ? 1.569 -14.610 36.915 1.00 26.92 ? 486 THR A OG1 1 ATOM 3882 C CG2 . THR A 1 486 ? 0.414 -13.829 38.821 1.00 26.81 ? 486 THR A CG2 1 ATOM 3883 N N . PRO A 1 487 ? 1.638 -12.059 35.214 1.00 23.23 ? 487 PRO A N 1 ATOM 3884 C CA . PRO A 1 487 ? 0.795 -11.768 34.078 1.00 24.45 ? 487 PRO A CA 1 ATOM 3885 C C . PRO A 1 487 ? -0.444 -12.580 34.040 1.00 25.84 ? 487 PRO A C 1 ATOM 3886 O O . PRO A 1 487 ? -1.397 -12.132 33.434 1.00 27.64 ? 487 PRO A O 1 ATOM 3887 C CB . PRO A 1 487 ? 1.689 -12.052 32.870 1.00 25.19 ? 487 PRO A CB 1 ATOM 3888 C CG . PRO A 1 487 ? 3.074 -11.859 33.376 1.00 23.89 ? 487 PRO A CG 1 ATOM 3889 C CD . PRO A 1 487 ? 3.016 -12.407 34.794 1.00 24.50 ? 487 PRO A CD 1 ATOM 3890 N N . ASP A 1 488 ? -0.461 -13.744 34.685 1.00 28.01 ? 488 ASP A N 1 ATOM 3891 C CA . ASP A 1 488 ? -1.685 -14.562 34.775 1.00 28.16 ? 488 ASP A CA 1 ATOM 3892 C C . ASP A 1 488 ? -2.905 -13.771 35.333 1.00 28.41 ? 488 ASP A C 1 ATOM 3893 O O . ASP A 1 488 ? -4.046 -14.043 34.942 1.00 26.59 ? 488 ASP A O 1 ATOM 3894 C CB . ASP A 1 488 ? -1.462 -15.801 35.645 1.00 30.53 ? 488 ASP A CB 1 ATOM 3895 C CG . ASP A 1 488 ? -0.514 -16.808 35.024 1.00 32.04 ? 488 ASP A CG 1 ATOM 3896 O OD1 . ASP A 1 488 ? -0.292 -16.844 33.792 1.00 36.86 ? 488 ASP A OD1 1 ATOM 3897 O OD2 . ASP A 1 488 ? -0.026 -17.632 35.770 1.00 37.56 ? 488 ASP A OD2 1 ATOM 3898 N N . ASN A 1 489 ? -2.651 -12.807 36.214 1.00 24.74 ? 489 ASN A N 1 ATOM 3899 C CA . ASN A 1 489 ? -3.722 -12.021 36.834 1.00 24.34 ? 489 ASN A CA 1 ATOM 3900 C C . ASN A 1 489 ? -4.150 -10.751 36.110 1.00 24.69 ? 489 ASN A C 1 ATOM 3901 O O . ASN A 1 489 ? -5.093 -10.129 36.577 1.00 22.09 ? 489 ASN A O 1 ATOM 3902 C CB . ASN A 1 489 ? -3.339 -11.594 38.250 1.00 22.60 ? 489 ASN A CB 1 ATOM 3903 C CG . ASN A 1 489 ? -3.328 -12.740 39.225 1.00 23.39 ? 489 ASN A CG 1 ATOM 3904 O OD1 . ASN A 1 489 ? -3.572 -13.889 38.856 1.00 22.07 ? 489 ASN A OD1 1 ATOM 3905 N ND2 . ASN A 1 489 ? -3.047 -12.423 40.490 1.00 21.32 ? 489 ASN A ND2 1 ATOM 3906 N N . ILE A 1 490 ? -3.443 -10.343 35.047 1.00 22.86 ? 490 ILE A N 1 ATOM 3907 C CA . ILE A 1 490 ? -3.779 -9.116 34.372 1.00 24.41 ? 490 ILE A CA 1 ATOM 3908 C C . ILE A 1 490 ? -5.219 -9.246 33.828 1.00 26.08 ? 490 ILE A C 1 ATOM 3909 O O . ILE A 1 490 ? -5.575 -10.211 33.144 1.00 26.94 ? 490 ILE A O 1 ATOM 3910 C CB . ILE A 1 490 ? -2.737 -8.775 33.296 1.00 24.55 ? 490 ILE A CB 1 ATOM 3911 C CG1 . ILE A 1 490 ? -1.359 -8.552 33.963 1.00 24.40 ? 490 ILE A CG1 1 ATOM 3912 C CG2 . ILE A 1 490 ? -3.135 -7.549 32.444 1.00 24.02 ? 490 ILE A CG2 1 ATOM 3913 C CD1 . ILE A 1 490 ? -0.228 -8.554 32.960 1.00 23.46 ? 490 ILE A CD1 1 ATOM 3914 N N . ASP A 1 491 ? -6.061 -8.274 34.166 1.00 26.48 ? 491 ASP A N 1 ATOM 3915 C CA . ASP A 1 491 ? -7.430 -8.304 33.695 1.00 25.19 ? 491 ASP A CA 1 ATOM 3916 C C . ASP A 1 491 ? -7.427 -8.235 32.156 1.00 24.76 ? 491 ASP A C 1 ATOM 3917 O O . ASP A 1 491 ? -6.630 -7.494 31.561 1.00 22.05 ? 491 ASP A O 1 ATOM 3918 C CB . ASP A 1 491 ? -8.246 -7.204 34.337 1.00 25.81 ? 491 ASP A CB 1 ATOM 3919 C CG . ASP A 1 491 ? -8.246 -7.285 35.892 1.00 24.49 ? 491 ASP A CG 1 ATOM 3920 O OD1 . ASP A 1 491 ? -8.957 -8.148 36.413 1.00 22.24 ? 491 ASP A OD1 1 ATOM 3921 O OD2 . ASP A 1 491 ? -7.575 -6.438 36.551 1.00 20.86 ? 491 ASP A OD2 1 ATOM 3922 N N . ILE A 1 492 ? -8.331 -8.993 31.509 1.00 23.31 ? 492 ILE A N 1 ATOM 3923 C CA . ILE A 1 492 ? -8.282 -9.090 30.032 1.00 23.05 ? 492 ILE A CA 1 ATOM 3924 C C . ILE A 1 492 ? -8.453 -7.709 29.280 1.00 23.09 ? 492 ILE A C 1 ATOM 3925 O O . ILE A 1 492 ? -7.825 -7.458 28.251 1.00 20.54 ? 492 ILE A O 1 ATOM 3926 C CB . ILE A 1 492 ? -9.244 -10.178 29.506 1.00 23.06 ? 492 ILE A CB 1 ATOM 3927 C CG1 . ILE A 1 492 ? -9.107 -10.350 28.000 1.00 22.48 ? 492 ILE A CG1 1 ATOM 3928 C CG2 . ILE A 1 492 ? -10.695 -9.970 29.893 1.00 20.87 ? 492 ILE A CG2 1 ATOM 3929 C CD1 . ILE A 1 492 ? -7.693 -10.618 27.492 1.00 22.10 ? 492 ILE A CD1 1 ATOM 3930 N N . TRP A 1 493 ? -9.297 -6.835 29.797 1.00 22.80 ? 493 TRP A N 1 ATOM 3931 C CA . TRP A 1 493 ? -9.434 -5.511 29.149 1.00 26.10 ? 493 TRP A CA 1 ATOM 3932 C C . TRP A 1 493 ? -8.113 -4.782 29.035 1.00 26.02 ? 493 TRP A C 1 ATOM 3933 O O . TRP A 1 493 ? -7.766 -4.323 27.955 1.00 25.37 ? 493 TRP A O 1 ATOM 3934 C CB . TRP A 1 493 ? -10.452 -4.628 29.843 1.00 24.55 ? 493 TRP A CB 1 ATOM 3935 C CG . TRP A 1 493 ? -10.582 -3.352 29.174 1.00 24.66 ? 493 TRP A CG 1 ATOM 3936 C CD1 . TRP A 1 493 ? -11.091 -3.124 27.948 1.00 22.12 ? 493 TRP A CD1 1 ATOM 3937 C CD2 . TRP A 1 493 ? -10.154 -2.107 29.683 1.00 23.34 ? 493 TRP A CD2 1 ATOM 3938 N NE1 . TRP A 1 493 ? -11.016 -1.830 27.656 1.00 23.67 ? 493 TRP A NE1 1 ATOM 3939 C CE2 . TRP A 1 493 ? -10.444 -1.159 28.703 1.00 23.88 ? 493 TRP A CE2 1 ATOM 3940 C CE3 . TRP A 1 493 ? -9.495 -1.716 30.845 1.00 24.00 ? 493 TRP A CE3 1 ATOM 3941 C CZ2 . TRP A 1 493 ? -10.130 0.175 28.842 1.00 23.91 ? 493 TRP A CZ2 1 ATOM 3942 C CZ3 . TRP A 1 493 ? -9.178 -0.326 31.009 1.00 24.29 ? 493 TRP A CZ3 1 ATOM 3943 C CH2 . TRP A 1 493 ? -9.498 0.572 30.029 1.00 25.02 ? 493 TRP A CH2 1 ATOM 3944 N N . ILE A 1 494 ? -7.352 -4.755 30.127 1.00 23.91 ? 494 ILE A N 1 ATOM 3945 C CA . ILE A 1 494 ? -6.127 -4.013 30.111 1.00 24.88 ? 494 ILE A CA 1 ATOM 3946 C C . ILE A 1 494 ? -4.945 -4.762 29.416 1.00 26.75 ? 494 ILE A C 1 ATOM 3947 O O . ILE A 1 494 ? -4.177 -4.124 28.689 1.00 22.18 ? 494 ILE A O 1 ATOM 3948 C CB . ILE A 1 494 ? -5.812 -3.418 31.501 1.00 24.23 ? 494 ILE A CB 1 ATOM 3949 C CG1 . ILE A 1 494 ? -4.724 -2.363 31.436 1.00 28.78 ? 494 ILE A CG1 1 ATOM 3950 C CG2 . ILE A 1 494 ? -5.377 -4.499 32.468 1.00 26.40 ? 494 ILE A CG2 1 ATOM 3951 C CD1 . ILE A 1 494 ? -4.860 -1.310 30.342 1.00 29.92 ? 494 ILE A CD1 1 ATOM 3952 N N . GLY A 1 495 ? -4.836 -6.101 29.571 1.00 25.48 ? 495 GLY A N 1 ATOM 3953 C CA . GLY A 1 495 ? -3.802 -6.836 28.880 1.00 24.54 ? 495 GLY A CA 1 ATOM 3954 C C . GLY A 1 495 ? -3.937 -6.853 27.356 1.00 24.29 ? 495 GLY A C 1 ATOM 3955 O O . GLY A 1 495 ? -2.934 -6.701 26.610 1.00 23.20 ? 495 GLY A O 1 ATOM 3956 N N . GLY A 1 496 ? -5.150 -7.063 26.881 1.00 21.72 ? 496 GLY A N 1 ATOM 3957 C CA . GLY A 1 496 ? -5.370 -7.058 25.430 1.00 22.78 ? 496 GLY A CA 1 ATOM 3958 C C . GLY A 1 496 ? -5.102 -5.675 24.834 1.00 24.77 ? 496 GLY A C 1 ATOM 3959 O O . GLY A 1 496 ? -4.496 -5.566 23.757 1.00 25.65 ? 496 GLY A O 1 ATOM 3960 N N . ASN A 1 497 ? -5.517 -4.621 25.523 1.00 24.38 ? 497 ASN A N 1 ATOM 3961 C CA . ASN A 1 497 ? -5.274 -3.265 24.992 1.00 27.98 ? 497 ASN A CA 1 ATOM 3962 C C . ASN A 1 497 ? -3.852 -2.716 25.142 1.00 30.28 ? 497 ASN A C 1 ATOM 3963 O O . ASN A 1 497 ? -3.487 -1.779 24.429 1.00 27.55 ? 497 ASN A O 1 ATOM 3964 C CB . ASN A 1 497 ? -6.246 -2.287 25.574 1.00 30.73 ? 497 ASN A CB 1 ATOM 3965 C CG . ASN A 1 497 ? -7.626 -2.416 24.932 1.00 30.08 ? 497 ASN A CG 1 ATOM 3966 O OD1 . ASN A 1 497 ? -7.784 -2.144 23.734 1.00 32.81 ? 497 ASN A OD1 1 ATOM 3967 N ND2 . ASN A 1 497 ? -8.620 -2.825 25.713 1.00 28.65 ? 497 ASN A ND2 1 ATOM 3968 N N . ALA A 1 498 ? -3.073 -3.323 26.040 1.00 29.64 ? 498 ALA A N 1 ATOM 3969 C CA . ALA A 1 498 ? -1.655 -3.014 26.240 1.00 28.28 ? 498 ALA A CA 1 ATOM 3970 C C . ALA A 1 498 ? -0.705 -3.513 25.124 1.00 26.59 ? 498 ALA A C 1 ATOM 3971 O O . ALA A 1 498 ? 0.376 -3.028 25.007 1.00 26.55 ? 498 ALA A O 1 ATOM 3972 C CB . ALA A 1 498 ? -1.221 -3.590 27.565 1.00 27.05 ? 498 ALA A CB 1 ATOM 3973 N N . GLU A 1 499 ? -1.133 -4.473 24.323 1.00 23.51 ? 499 GLU A N 1 ATOM 3974 C CA . GLU A 1 499 ? -0.303 -5.101 23.326 1.00 25.81 ? 499 GLU A CA 1 ATOM 3975 C C . GLU A 1 499 ? -0.085 -4.148 22.136 1.00 24.97 ? 499 GLU A C 1 ATOM 3976 O O . GLU A 1 499 ? -1.032 -3.508 21.671 1.00 23.60 ? 499 GLU A O 1 ATOM 3977 C CB . GLU A 1 499 ? -0.910 -6.400 22.808 1.00 24.86 ? 499 GLU A CB 1 ATOM 3978 C CG . GLU A 1 499 ? -0.784 -7.562 23.725 1.00 27.53 ? 499 GLU A CG 1 ATOM 3979 C CD . GLU A 1 499 ? -1.484 -8.835 23.233 1.00 30.11 ? 499 GLU A CD 1 ATOM 3980 O OE1 . GLU A 1 499 ? -2.058 -8.889 22.111 1.00 31.78 ? 499 GLU A OE1 1 ATOM 3981 O OE2 . GLU A 1 499 ? -1.442 -9.806 24.008 1.00 31.36 ? 499 GLU A OE2 1 ATOM 3982 N N . PRO A 1 500 ? 1.136 -4.133 21.594 1.00 25.58 ? 500 PRO A N 1 ATOM 3983 C CA . PRO A 1 500 ? 1.334 -3.321 20.377 1.00 28.28 ? 500 PRO A CA 1 ATOM 3984 C C . PRO A 1 500 ? 0.395 -3.688 19.221 1.00 25.00 ? 500 PRO A C 1 ATOM 3985 O O . PRO A 1 500 ? 0.112 -4.848 19.032 1.00 23.98 ? 500 PRO A O 1 ATOM 3986 C CB . PRO A 1 500 ? 2.777 -3.635 19.961 1.00 31.83 ? 500 PRO A CB 1 ATOM 3987 C CG . PRO A 1 500 ? 3.295 -4.679 20.901 1.00 35.97 ? 500 PRO A CG 1 ATOM 3988 C CD . PRO A 1 500 ? 2.172 -5.154 21.764 1.00 30.10 ? 500 PRO A CD 1 ATOM 3989 N N . MET A 1 501 ? -0.056 -2.706 18.454 1.00 27.55 ? 501 MET A N 1 ATOM 3990 C CA . MET A 1 501 ? -1.035 -2.919 17.354 1.00 27.75 ? 501 MET A CA 1 ATOM 3991 C C . MET A 1 501 ? -0.438 -3.629 16.176 1.00 26.75 ? 501 MET A C 1 ATOM 3992 O O . MET A 1 501 ? 0.632 -3.321 15.821 1.00 28.20 ? 501 MET A O 1 ATOM 3993 C CB . MET A 1 501 ? -1.510 -1.582 16.790 1.00 31.08 ? 501 MET A CB 1 ATOM 3994 C CG . MET A 1 501 ? -2.465 -0.825 17.661 1.00 34.80 ? 501 MET A CG 1 ATOM 3995 S SD . MET A 1 501 ? -2.456 0.952 17.357 1.00 37.71 ? 501 MET A SD 1 ATOM 3996 C CE . MET A 1 501 ? -3.720 1.261 18.518 1.00 34.88 ? 501 MET A CE 1 ATOM 3997 N N . VAL A 1 502 ? -1.209 -4.477 15.503 1.00 26.25 ? 502 VAL A N 1 ATOM 3998 C CA . VAL A 1 502 ? -0.776 -5.134 14.311 1.00 26.69 ? 502 VAL A CA 1 ATOM 3999 C C . VAL A 1 502 ? -0.773 -4.179 13.150 1.00 29.33 ? 502 VAL A C 1 ATOM 4000 O O . VAL A 1 502 ? -1.538 -3.227 13.145 1.00 27.25 ? 502 VAL A O 1 ATOM 4001 C CB . VAL A 1 502 ? -1.647 -6.357 13.960 1.00 29.92 ? 502 VAL A CB 1 ATOM 4002 C CG1 . VAL A 1 502 ? -1.635 -7.403 15.101 1.00 30.61 ? 502 VAL A CG1 1 ATOM 4003 C CG2 . VAL A 1 502 ? -3.073 -5.959 13.617 1.00 28.83 ? 502 VAL A CG2 1 ATOM 4004 N N . GLU A 1 503 ? 0.131 -4.429 12.210 1.00 30.60 ? 503 GLU A N 1 ATOM 4005 C CA . GLU A 1 503 ? 0.300 -3.650 10.967 1.00 32.52 ? 503 GLU A CA 1 ATOM 4006 C C . GLU A 1 503 ? -1.021 -3.424 10.199 1.00 27.37 ? 503 GLU A C 1 ATOM 4007 O O . GLU A 1 503 ? -1.726 -4.351 9.879 1.00 30.14 ? 503 GLU A O 1 ATOM 4008 C CB . GLU A 1 503 ? 1.272 -4.381 10.019 1.00 40.81 ? 503 GLU A CB 1 ATOM 4009 C CG . GLU A 1 503 ? 2.232 -3.455 9.285 1.00 53.97 ? 503 GLU A CG 1 ATOM 4010 C CD . GLU A 1 503 ? 3.387 -2.913 10.165 1.00 66.80 ? 503 GLU A CD 1 ATOM 4011 O OE1 . GLU A 1 503 ? 4.067 -1.932 9.752 1.00 75.38 ? 503 GLU A OE1 1 ATOM 4012 O OE2 . GLU A 1 503 ? 3.653 -3.446 11.273 1.00 80.46 ? 503 GLU A OE2 1 ATOM 4013 N N . ARG A 1 504 ? -1.326 -2.172 9.924 1.00 23.58 ? 504 ARG A N 1 ATOM 4014 C CA . ARG A 1 504 ? -2.575 -1.699 9.286 1.00 28.17 ? 504 ARG A CA 1 ATOM 4015 C C . ARG A 1 504 ? -3.863 -1.853 10.131 1.00 26.32 ? 504 ARG A C 1 ATOM 4016 O O . ARG A 1 504 ? -4.958 -1.728 9.588 1.00 27.56 ? 504 ARG A O 1 ATOM 4017 C CB . ARG A 1 504 ? -2.741 -2.287 7.889 1.00 32.52 ? 504 ARG A CB 1 ATOM 4018 C CG . ARG A 1 504 ? -1.629 -1.874 6.906 1.00 39.54 ? 504 ARG A CG 1 ATOM 4019 C CD . ARG A 1 504 ? -1.796 -2.478 5.517 1.00 49.62 ? 504 ARG A CD 1 ATOM 4020 N NE . ARG A 1 504 ? -2.361 -3.855 5.473 1.00 64.99 ? 504 ARG A NE 1 ATOM 4021 C CZ . ARG A 1 504 ? -1.699 -5.028 5.594 1.00 71.54 ? 504 ARG A CZ 1 ATOM 4022 N NH1 . ARG A 1 504 ? -0.380 -5.085 5.808 1.00 74.44 ? 504 ARG A NH1 1 ATOM 4023 N NH2 . ARG A 1 504 ? -2.377 -6.177 5.508 1.00 70.85 ? 504 ARG A NH2 1 ATOM 4024 N N . GLY A 1 505 ? -3.731 -2.080 11.444 1.00 24.18 ? 505 GLY A N 1 ATOM 4025 C CA . GLY A 1 505 ? -4.894 -2.320 12.324 1.00 23.81 ? 505 GLY A CA 1 ATOM 4026 C C . GLY A 1 505 ? -4.747 -1.454 13.541 1.00 24.69 ? 505 GLY A C 1 ATOM 4027 O O . GLY A 1 505 ? -3.844 -0.611 13.584 1.00 23.95 ? 505 GLY A O 1 ATOM 4028 N N . ARG A 1 506 ? -5.659 -1.604 14.501 1.00 23.09 ? 506 ARG A N 1 ATOM 4029 C CA . ARG A 1 506 ? -5.651 -0.764 15.694 1.00 23.03 ? 506 ARG A CA 1 ATOM 4030 C C . ARG A 1 506 ? -5.865 -1.560 16.994 1.00 23.35 ? 506 ARG A C 1 ATOM 4031 O O . ARG A 1 506 ? -6.175 -0.984 18.039 1.00 23.26 ? 506 ARG A O 1 ATOM 4032 C CB . ARG A 1 506 ? -6.669 0.378 15.530 1.00 25.09 ? 506 ARG A CB 1 ATOM 4033 C CG . ARG A 1 506 ? -6.396 1.388 14.384 1.00 26.76 ? 506 ARG A CG 1 ATOM 4034 C CD . ARG A 1 506 ? -5.186 2.290 14.767 1.00 25.88 ? 506 ARG A CD 1 ATOM 4035 N NE . ARG A 1 506 ? -4.847 3.363 13.843 1.00 27.94 ? 506 ARG A NE 1 ATOM 4036 C CZ . ARG A 1 506 ? -4.110 3.242 12.714 1.00 28.56 ? 506 ARG A CZ 1 ATOM 4037 N NH1 . ARG A 1 506 ? -3.689 2.075 12.240 1.00 27.98 ? 506 ARG A NH1 1 ATOM 4038 N NH2 . ARG A 1 506 ? -3.827 4.319 12.003 1.00 31.44 ? 506 ARG A NH2 1 ATOM 4039 N N . VAL A 1 507 ? -5.616 -2.879 16.922 1.00 23.75 ? 507 VAL A N 1 ATOM 4040 C CA . VAL A 1 507 ? -5.547 -3.769 18.062 1.00 22.37 ? 507 VAL A CA 1 ATOM 4041 C C . VAL A 1 507 ? -4.344 -4.689 17.919 1.00 21.58 ? 507 VAL A C 1 ATOM 4042 O O . VAL A 1 507 ? -3.855 -4.937 16.817 1.00 22.79 ? 507 VAL A O 1 ATOM 4043 C CB . VAL A 1 507 ? -6.816 -4.652 18.229 1.00 22.81 ? 507 VAL A CB 1 ATOM 4044 C CG1 . VAL A 1 507 ? -8.036 -3.787 18.544 1.00 26.84 ? 507 VAL A CG1 1 ATOM 4045 C CG2 . VAL A 1 507 ? -7.086 -5.512 17.013 1.00 23.41 ? 507 VAL A CG2 1 ATOM 4046 N N . GLY A 1 508 ? -3.912 -5.255 19.042 1.00 23.32 ? 508 GLY A N 1 ATOM 4047 C CA . GLY A 1 508 ? -2.842 -6.262 19.073 1.00 21.47 ? 508 GLY A CA 1 ATOM 4048 C C . GLY A 1 508 ? -3.340 -7.623 18.697 1.00 24.00 ? 508 GLY A C 1 ATOM 4049 O O . GLY A 1 508 ? -4.565 -7.832 18.498 1.00 23.73 ? 508 GLY A O 1 ATOM 4050 N N . PRO A 1 509 ? -2.415 -8.590 18.625 1.00 25.55 ? 509 PRO A N 1 ATOM 4051 C CA . PRO A 1 509 ? -2.720 -10.007 18.303 1.00 26.05 ? 509 PRO A CA 1 ATOM 4052 C C . PRO A 1 509 ? -3.800 -10.660 19.158 1.00 23.48 ? 509 PRO A C 1 ATOM 4053 O O . PRO A 1 509 ? -4.655 -11.298 18.611 1.00 24.46 ? 509 PRO A O 1 ATOM 4054 C CB . PRO A 1 509 ? -1.403 -10.738 18.525 1.00 25.77 ? 509 PRO A CB 1 ATOM 4055 C CG . PRO A 1 509 ? -0.381 -9.708 18.702 1.00 27.97 ? 509 PRO A CG 1 ATOM 4056 C CD . PRO A 1 509 ? -0.995 -8.376 18.966 1.00 26.22 ? 509 PRO A CD 1 ATOM 4057 N N . LEU A 1 510 ? -3.786 -10.480 20.467 1.00 21.13 ? 510 LEU A N 1 ATOM 4058 C CA . LEU A 1 510 ? -4.783 -11.133 21.321 1.00 21.46 ? 510 LEU A CA 1 ATOM 4059 C C . LEU A 1 510 ? -6.205 -10.625 20.986 1.00 21.75 ? 510 LEU A C 1 ATOM 4060 O O . LEU A 1 510 ? -7.136 -11.375 20.734 1.00 19.34 ? 510 LEU A O 1 ATOM 4061 C CB . LEU A 1 510 ? -4.504 -10.906 22.793 1.00 21.99 ? 510 LEU A CB 1 ATOM 4062 C CG . LEU A 1 510 ? -5.516 -11.517 23.774 1.00 22.74 ? 510 LEU A CG 1 ATOM 4063 C CD1 . LEU A 1 510 ? -5.629 -13.027 23.587 1.00 26.52 ? 510 LEU A CD1 1 ATOM 4064 C CD2 . LEU A 1 510 ? -5.114 -11.234 25.200 1.00 25.14 ? 510 LEU A CD2 1 ATOM 4065 N N . LEU A 1 511 ? -6.370 -9.315 21.004 1.00 22.57 ? 511 LEU A N 1 ATOM 4066 C CA . LEU A 1 511 ? -7.640 -8.770 20.602 1.00 22.70 ? 511 LEU A CA 1 ATOM 4067 C C . LEU A 1 511 ? -8.023 -9.106 19.181 1.00 20.27 ? 511 LEU A C 1 ATOM 4068 O O . LEU A 1 511 ? -9.200 -9.320 18.949 1.00 19.05 ? 511 LEU A O 1 ATOM 4069 C CB . LEU A 1 511 ? -7.679 -7.255 20.864 1.00 24.71 ? 511 LEU A CB 1 ATOM 4070 C CG . LEU A 1 511 ? -7.640 -6.913 22.376 1.00 28.17 ? 511 LEU A CG 1 ATOM 4071 C CD1 . LEU A 1 511 ? -7.646 -5.387 22.517 1.00 34.14 ? 511 LEU A CD1 1 ATOM 4072 C CD2 . LEU A 1 511 ? -8.784 -7.487 23.194 1.00 28.79 ? 511 LEU A CD2 1 ATOM 4073 N N . ALA A 1 512 ? -7.057 -9.155 18.234 1.00 19.86 ? 512 ALA A N 1 ATOM 4074 C CA . ALA A 1 512 ? -7.358 -9.454 16.873 1.00 20.34 ? 512 ALA A CA 1 ATOM 4075 C C . ALA A 1 512 ? -7.970 -10.883 16.814 1.00 22.16 ? 512 ALA A C 1 ATOM 4076 O O . ALA A 1 512 ? -8.998 -11.113 16.137 1.00 22.07 ? 512 ALA A O 1 ATOM 4077 C CB . ALA A 1 512 ? -6.101 -9.372 16.015 1.00 23.41 ? 512 ALA A CB 1 ATOM 4078 N N . CYS A 1 513 ? -7.370 -11.812 17.570 1.00 21.01 ? 513 CYS A N 1 ATOM 4079 C CA . CYS A 1 513 ? -7.937 -13.146 17.676 1.00 22.67 ? 513 CYS A CA 1 ATOM 4080 C C . CYS A 1 513 ? -9.368 -13.160 18.261 1.00 23.69 ? 513 CYS A C 1 ATOM 4081 O O . CYS A 1 513 ? -10.281 -13.766 17.673 1.00 23.06 ? 513 CYS A O 1 ATOM 4082 C CB . CYS A 1 513 ? -7.035 -14.019 18.550 1.00 25.36 ? 513 CYS A CB 1 ATOM 4083 S SG . CYS A 1 513 ? -7.789 -15.525 19.228 1.00 28.86 ? 513 CYS A SG 1 ATOM 4084 N N . LEU A 1 514 ? -9.563 -12.537 19.410 1.00 22.56 ? 514 LEU A N 1 ATOM 4085 C CA . LEU A 1 514 ? -10.890 -12.596 20.058 1.00 23.98 ? 514 LEU A CA 1 ATOM 4086 C C . LEU A 1 514 ? -11.987 -11.843 19.265 1.00 24.49 ? 514 LEU A C 1 ATOM 4087 O O . LEU A 1 514 ? -13.147 -12.316 19.200 1.00 20.82 ? 514 LEU A O 1 ATOM 4088 C CB . LEU A 1 514 ? -10.853 -12.023 21.479 1.00 23.24 ? 514 LEU A CB 1 ATOM 4089 C CG . LEU A 1 514 ? -9.870 -12.628 22.468 1.00 24.43 ? 514 LEU A CG 1 ATOM 4090 C CD1 . LEU A 1 514 ? -9.789 -11.838 23.754 1.00 23.72 ? 514 LEU A CD1 1 ATOM 4091 C CD2 . LEU A 1 514 ? -10.276 -14.032 22.739 1.00 23.24 ? 514 LEU A CD2 1 ATOM 4092 N N . LEU A 1 515 ? -11.625 -10.689 18.697 1.00 22.45 ? 515 LEU A N 1 ATOM 4093 C CA . LEU A 1 515 ? -12.568 -9.902 17.897 1.00 22.15 ? 515 LEU A CA 1 ATOM 4094 C C . LEU A 1 515 ? -12.867 -10.659 16.587 1.00 21.91 ? 515 LEU A C 1 ATOM 4095 O O . LEU A 1 515 ? -14.014 -10.824 16.249 1.00 19.62 ? 515 LEU A O 1 ATOM 4096 C CB . LEU A 1 515 ? -12.049 -8.493 17.600 1.00 22.41 ? 515 LEU A CB 1 ATOM 4097 C CG . LEU A 1 515 ? -11.887 -7.581 18.822 1.00 23.07 ? 515 LEU A CG 1 ATOM 4098 C CD1 . LEU A 1 515 ? -11.034 -6.343 18.506 1.00 24.05 ? 515 LEU A CD1 1 ATOM 4099 C CD2 . LEU A 1 515 ? -13.204 -7.143 19.439 1.00 24.70 ? 515 LEU A CD2 1 ATOM 4100 N N . GLY A 1 516 ? -11.823 -11.128 15.895 1.00 23.67 ? 516 GLY A N 1 ATOM 4101 C CA . GLY A 1 516 ? -11.925 -11.825 14.593 1.00 22.79 ? 516 GLY A CA 1 ATOM 4102 C C . GLY A 1 516 ? -12.763 -13.079 14.682 1.00 22.93 ? 516 GLY A C 1 ATOM 4103 O O . GLY A 1 516 ? -13.697 -13.253 13.886 1.00 22.15 ? 516 GLY A O 1 ATOM 4104 N N . ARG A 1 517 ? -12.506 -13.909 15.693 1.00 26.03 ? 517 ARG A N 1 ATOM 4105 C CA . ARG A 1 517 ? -13.310 -15.075 15.926 1.00 27.11 ? 517 ARG A CA 1 ATOM 4106 C C . ARG A 1 517 ? -14.818 -14.724 16.114 1.00 24.04 ? 517 ARG A C 1 ATOM 4107 O O . ARG A 1 517 ? -15.670 -15.387 15.534 1.00 24.73 ? 517 ARG A O 1 ATOM 4108 C CB . ARG A 1 517 ? -12.773 -15.950 17.077 1.00 33.46 ? 517 ARG A CB 1 ATOM 4109 C CG . ARG A 1 517 ? -11.591 -16.827 16.657 1.00 47.48 ? 517 ARG A CG 1 ATOM 4110 C CD . ARG A 1 517 ? -10.721 -17.332 17.826 1.00 57.28 ? 517 ARG A CD 1 ATOM 4111 N NE . ARG A 1 517 ? -11.193 -18.602 18.401 1.00 71.34 ? 517 ARG A NE 1 ATOM 4112 C CZ . ARG A 1 517 ? -10.661 -19.823 18.239 1.00 75.58 ? 517 ARG A CZ 1 ATOM 4113 N NH1 . ARG A 1 517 ? -11.242 -20.866 18.846 1.00 76.61 ? 517 ARG A NH1 1 ATOM 4114 N NH2 . ARG A 1 517 ? -9.574 -20.032 17.492 1.00 81.96 ? 517 ARG A NH2 1 ATOM 4115 N N . GLN A 1 518 ? -15.126 -13.675 16.866 1.00 23.85 ? 518 GLN A N 1 ATOM 4116 C CA . GLN A 1 518 ? -16.516 -13.347 17.189 1.00 25.53 ? 518 GLN A CA 1 ATOM 4117 C C . GLN A 1 518 ? -17.210 -12.879 15.924 1.00 22.46 ? 518 GLN A C 1 ATOM 4118 O O . GLN A 1 518 ? -18.308 -13.361 15.578 1.00 23.41 ? 518 GLN A O 1 ATOM 4119 C CB . GLN A 1 518 ? -16.648 -12.261 18.280 1.00 23.87 ? 518 GLN A CB 1 ATOM 4120 C CG . GLN A 1 518 ? -18.101 -12.024 18.657 1.00 25.99 ? 518 GLN A CG 1 ATOM 4121 C CD . GLN A 1 518 ? -18.700 -13.210 19.432 1.00 25.37 ? 518 GLN A CD 1 ATOM 4122 O OE1 . GLN A 1 518 ? -18.369 -13.427 20.601 1.00 23.58 ? 518 GLN A OE1 1 ATOM 4123 N NE2 . GLN A 1 518 ? -19.576 -13.964 18.795 1.00 27.83 ? 518 GLN A NE2 1 ATOM 4124 N N . PHE A 1 519 ? -16.582 -11.942 15.233 1.00 22.77 ? 519 PHE A N 1 ATOM 4125 C CA . PHE A 1 519 ? -17.159 -11.434 13.972 1.00 22.52 ? 519 PHE A CA 1 ATOM 4126 C C . PHE A 1 519 ? -17.344 -12.516 12.879 1.00 23.34 ? 519 PHE A C 1 ATOM 4127 O O . PHE A 1 519 ? -18.340 -12.527 12.221 1.00 23.99 ? 519 PHE A O 1 ATOM 4128 C CB . PHE A 1 519 ? -16.380 -10.271 13.455 1.00 22.33 ? 519 PHE A CB 1 ATOM 4129 C CG . PHE A 1 519 ? -16.718 -9.001 14.140 1.00 21.24 ? 519 PHE A CG 1 ATOM 4130 C CD1 . PHE A 1 519 ? -17.926 -8.385 13.859 1.00 21.64 ? 519 PHE A CD1 1 ATOM 4131 C CD2 . PHE A 1 519 ? -15.879 -8.453 15.072 1.00 20.14 ? 519 PHE A CD2 1 ATOM 4132 C CE1 . PHE A 1 519 ? -18.282 -7.231 14.504 1.00 21.85 ? 519 PHE A CE1 1 ATOM 4133 C CE2 . PHE A 1 519 ? -16.207 -7.265 15.685 1.00 21.34 ? 519 PHE A CE2 1 ATOM 4134 C CZ . PHE A 1 519 ? -17.432 -6.669 15.420 1.00 20.65 ? 519 PHE A CZ 1 ATOM 4135 N N . GLN A 1 520 ? -16.441 -13.478 12.792 1.00 25.57 ? 520 GLN A N 1 ATOM 4136 C CA . GLN A 1 520 ? -16.628 -14.609 11.883 1.00 26.82 ? 520 GLN A CA 1 ATOM 4137 C C . GLN A 1 520 ? -17.898 -15.394 12.240 1.00 26.34 ? 520 GLN A C 1 ATOM 4138 O O . GLN A 1 520 ? -18.710 -15.750 11.357 1.00 25.49 ? 520 GLN A O 1 ATOM 4139 C CB . GLN A 1 520 ? -15.374 -15.510 11.908 1.00 29.28 ? 520 GLN A CB 1 ATOM 4140 C CG . GLN A 1 520 ? -15.508 -16.832 11.150 1.00 30.25 ? 520 GLN A CG 1 ATOM 4141 C CD . GLN A 1 520 ? -15.804 -18.022 12.043 1.00 34.67 ? 520 GLN A CD 1 ATOM 4142 O OE1 . GLN A 1 520 ? -16.698 -18.865 11.727 1.00 37.08 ? 520 GLN A OE1 1 ATOM 4143 N NE2 . GLN A 1 520 ? -15.050 -18.132 13.150 1.00 34.49 ? 520 GLN A NE2 1 ATOM 4144 N N . GLN A 1 521 ? -18.067 -15.654 13.539 1.00 25.34 ? 521 GLN A N 1 ATOM 4145 C CA . GLN A 1 521 ? -19.208 -16.415 13.992 1.00 25.63 ? 521 GLN A CA 1 ATOM 4146 C C . GLN A 1 521 ? -20.533 -15.712 13.775 1.00 25.11 ? 521 GLN A C 1 ATOM 4147 O O . GLN A 1 521 ? -21.513 -16.321 13.347 1.00 25.32 ? 521 GLN A O 1 ATOM 4148 C CB . GLN A 1 521 ? -19.069 -16.786 15.458 1.00 25.95 ? 521 GLN A CB 1 ATOM 4149 C CG . GLN A 1 521 ? -17.951 -17.756 15.737 1.00 26.79 ? 521 GLN A CG 1 ATOM 4150 C CD . GLN A 1 521 ? -17.867 -18.024 17.242 1.00 29.03 ? 521 GLN A CD 1 ATOM 4151 O OE1 . GLN A 1 521 ? -18.834 -17.825 18.015 1.00 34.42 ? 521 GLN A OE1 1 ATOM 4152 N NE2 . GLN A 1 521 ? -16.744 -18.464 17.657 1.00 29.48 ? 521 GLN A NE2 1 ATOM 4153 N N . ILE A 1 522 ? -20.546 -14.413 13.991 1.00 26.56 ? 522 ILE A N 1 ATOM 4154 C CA . ILE A 1 522 ? -21.756 -13.622 13.732 1.00 28.92 ? 522 ILE A CA 1 ATOM 4155 C C . ILE A 1 522 ? -22.104 -13.499 12.230 1.00 25.73 ? 522 ILE A C 1 ATOM 4156 O O . ILE A 1 522 ? -23.291 -13.400 11.899 1.00 25.41 ? 522 ILE A O 1 ATOM 4157 C CB . ILE A 1 522 ? -21.838 -12.256 14.505 1.00 33.48 ? 522 ILE A CB 1 ATOM 4158 C CG1 . ILE A 1 522 ? -21.163 -11.132 13.802 1.00 37.39 ? 522 ILE A CG1 1 ATOM 4159 C CG2 . ILE A 1 522 ? -21.365 -12.382 15.977 1.00 37.90 ? 522 ILE A CG2 1 ATOM 4160 C CD1 . ILE A 1 522 ? -21.248 -9.866 14.621 1.00 43.15 ? 522 ILE A CD1 1 ATOM 4161 N N . ARG A 1 523 ? -21.107 -13.471 11.349 1.00 24.21 ? 523 ARG A N 1 ATOM 4162 C CA . ARG A 1 523 ? -21.389 -13.575 9.914 1.00 23.58 ? 523 ARG A CA 1 ATOM 4163 C C . ARG A 1 523 ? -21.903 -14.996 9.550 1.00 24.03 ? 523 ARG A C 1 ATOM 4164 O O . ARG A 1 523 ? -22.993 -15.175 8.947 1.00 25.70 ? 523 ARG A O 1 ATOM 4165 C CB . ARG A 1 523 ? -20.141 -13.277 9.145 1.00 24.28 ? 523 ARG A CB 1 ATOM 4166 C CG . ARG A 1 523 ? -20.343 -13.396 7.632 1.00 27.05 ? 523 ARG A CG 1 ATOM 4167 C CD . ARG A 1 523 ? -19.074 -13.124 6.833 1.00 26.43 ? 523 ARG A CD 1 ATOM 4168 N NE . ARG A 1 523 ? -18.154 -14.193 7.076 1.00 28.20 ? 523 ARG A NE 1 ATOM 4169 C CZ . ARG A 1 523 ? -16.980 -14.346 6.491 1.00 28.25 ? 523 ARG A CZ 1 ATOM 4170 N NH1 . ARG A 1 523 ? -16.569 -13.509 5.576 1.00 31.05 ? 523 ARG A NH1 1 ATOM 4171 N NH2 . ARG A 1 523 ? -16.241 -15.392 6.791 1.00 30.06 ? 523 ARG A NH2 1 ATOM 4172 N N . ASP A 1 524 ? -21.117 -15.988 9.935 1.00 22.22 ? 524 ASP A N 1 ATOM 4173 C CA . ASP A 1 524 ? -21.367 -17.398 9.547 1.00 23.12 ? 524 ASP A CA 1 ATOM 4174 C C . ASP A 1 524 ? -22.571 -18.100 10.135 1.00 24.76 ? 524 ASP A C 1 ATOM 4175 O O . ASP A 1 524 ? -23.123 -19.075 9.533 1.00 26.96 ? 524 ASP A O 1 ATOM 4176 C CB . ASP A 1 524 ? -20.093 -18.238 9.785 1.00 24.62 ? 524 ASP A CB 1 ATOM 4177 C CG . ASP A 1 524 ? -18.970 -17.836 8.831 1.00 25.69 ? 524 ASP A CG 1 ATOM 4178 O OD1 . ASP A 1 524 ? -19.170 -17.005 7.902 1.00 27.50 ? 524 ASP A OD1 1 ATOM 4179 O OD2 . ASP A 1 524 ? -17.865 -18.287 9.028 1.00 33.35 ? 524 ASP A OD2 1 ATOM 4180 N N . GLY A 1 525 ? -22.968 -17.676 11.328 1.00 25.18 ? 525 GLY A N 1 ATOM 4181 C CA . GLY A 1 525 ? -24.079 -18.264 11.995 1.00 22.29 ? 525 GLY A CA 1 ATOM 4182 C C . GLY A 1 525 ? -25.362 -17.524 11.900 1.00 21.78 ? 525 GLY A C 1 ATOM 4183 O O . GLY A 1 525 ? -26.233 -17.783 12.694 1.00 21.52 ? 525 GLY A O 1 ATOM 4184 N N . ASP A 1 526 ? -25.483 -16.631 10.913 1.00 22.28 ? 526 ASP A N 1 ATOM 4185 C CA . ASP A 1 526 ? -26.653 -15.767 10.723 1.00 23.82 ? 526 ASP A CA 1 ATOM 4186 C C . ASP A 1 526 ? -27.355 -16.178 9.413 1.00 24.17 ? 526 ASP A C 1 ATOM 4187 O O . ASP A 1 526 ? -26.788 -16.103 8.291 1.00 24.36 ? 526 ASP A O 1 ATOM 4188 C CB . ASP A 1 526 ? -26.212 -14.269 10.694 1.00 24.63 ? 526 ASP A CB 1 ATOM 4189 C CG . ASP A 1 526 ? -27.375 -13.271 10.488 1.00 25.06 ? 526 ASP A CG 1 ATOM 4190 O OD1 . ASP A 1 526 ? -28.585 -13.648 10.563 1.00 27.91 ? 526 ASP A OD1 1 ATOM 4191 O OD2 . ASP A 1 526 ? -27.085 -12.056 10.230 1.00 26.63 ? 526 ASP A OD2 1 ATOM 4192 N N . ARG A 1 527 ? -28.593 -16.617 9.544 1.00 24.26 ? 527 ARG A N 1 ATOM 4193 C CA . ARG A 1 527 ? -29.331 -17.081 8.368 1.00 26.79 ? 527 ARG A CA 1 ATOM 4194 C C . ARG A 1 527 ? -29.653 -15.912 7.445 1.00 26.53 ? 527 ARG A C 1 ATOM 4195 O O . ARG A 1 527 ? -29.862 -16.091 6.241 1.00 29.03 ? 527 ARG A O 1 ATOM 4196 C CB . ARG A 1 527 ? -30.599 -17.798 8.780 1.00 27.10 ? 527 ARG A CB 1 ATOM 4197 C CG . ARG A 1 527 ? -31.303 -18.429 7.585 1.00 29.49 ? 527 ARG A CG 1 ATOM 4198 C CD . ARG A 1 527 ? -32.102 -19.610 7.998 1.00 31.46 ? 527 ARG A CD 1 ATOM 4199 N NE . ARG A 1 527 ? -33.060 -19.231 9.042 1.00 34.01 ? 527 ARG A NE 1 ATOM 4200 C CZ . ARG A 1 527 ? -34.344 -18.933 8.856 1.00 36.56 ? 527 ARG A CZ 1 ATOM 4201 N NH1 . ARG A 1 527 ? -34.871 -18.992 7.642 1.00 39.88 ? 527 ARG A NH1 1 ATOM 4202 N NH2 . ARG A 1 527 ? -35.122 -18.587 9.895 1.00 34.76 ? 527 ARG A NH2 1 ATOM 4203 N N . PHE A 1 528 ? -29.698 -14.710 8.018 1.00 28.50 ? 528 PHE A N 1 ATOM 4204 C CA . PHE A 1 528 ? -30.100 -13.535 7.298 1.00 27.14 ? 528 PHE A CA 1 ATOM 4205 C C . PHE A 1 528 ? -28.930 -12.663 6.954 1.00 24.81 ? 528 PHE A C 1 ATOM 4206 O O . PHE A 1 528 ? -29.123 -11.524 6.600 1.00 24.35 ? 528 PHE A O 1 ATOM 4207 C CB . PHE A 1 528 ? -31.154 -12.768 8.132 1.00 31.83 ? 528 PHE A CB 1 ATOM 4208 C CG . PHE A 1 528 ? -32.436 -13.555 8.363 1.00 33.01 ? 528 PHE A CG 1 ATOM 4209 C CD1 . PHE A 1 528 ? -33.420 -13.607 7.385 1.00 36.29 ? 528 PHE A CD1 1 ATOM 4210 C CD2 . PHE A 1 528 ? -32.658 -14.230 9.563 1.00 35.24 ? 528 PHE A CD2 1 ATOM 4211 C CE1 . PHE A 1 528 ? -34.606 -14.322 7.612 1.00 40.54 ? 528 PHE A CE1 1 ATOM 4212 C CE2 . PHE A 1 528 ? -33.845 -14.944 9.794 1.00 36.39 ? 528 PHE A CE2 1 ATOM 4213 C CZ . PHE A 1 528 ? -34.812 -14.996 8.831 1.00 35.81 ? 528 PHE A CZ 1 ATOM 4214 N N . TRP A 1 529 ? -27.716 -13.165 7.058 1.00 24.38 ? 529 TRP A N 1 ATOM 4215 C CA . TRP A 1 529 ? -26.586 -12.444 6.461 1.00 25.89 ? 529 TRP A CA 1 ATOM 4216 C C . TRP A 1 529 ? -26.851 -11.924 5.024 1.00 25.97 ? 529 TRP A C 1 ATOM 4217 O O . TRP A 1 529 ? -27.427 -12.621 4.178 1.00 25.51 ? 529 TRP A O 1 ATOM 4218 C CB . TRP A 1 529 ? -25.329 -13.304 6.492 1.00 26.21 ? 529 TRP A CB 1 ATOM 4219 C CG . TRP A 1 529 ? -24.136 -12.550 6.108 1.00 27.59 ? 529 TRP A CG 1 ATOM 4220 C CD1 . TRP A 1 529 ? -23.407 -12.666 4.942 1.00 28.50 ? 529 TRP A CD1 1 ATOM 4221 C CD2 . TRP A 1 529 ? -23.489 -11.546 6.891 1.00 26.01 ? 529 TRP A CD2 1 ATOM 4222 N NE1 . TRP A 1 529 ? -22.345 -11.784 4.949 1.00 28.75 ? 529 TRP A NE1 1 ATOM 4223 C CE2 . TRP A 1 529 ? -22.364 -11.082 6.128 1.00 27.05 ? 529 TRP A CE2 1 ATOM 4224 C CE3 . TRP A 1 529 ? -23.695 -11.056 8.174 1.00 25.29 ? 529 TRP A CE3 1 ATOM 4225 C CZ2 . TRP A 1 529 ? -21.500 -10.096 6.585 1.00 25.30 ? 529 TRP A CZ2 1 ATOM 4226 C CZ3 . TRP A 1 529 ? -22.823 -10.046 8.648 1.00 27.14 ? 529 TRP A CZ3 1 ATOM 4227 C CH2 . TRP A 1 529 ? -21.746 -9.575 7.842 1.00 26.54 ? 529 TRP A CH2 1 ATOM 4228 N N . TRP A 1 530 ? -26.464 -10.673 4.757 1.00 24.54 ? 530 TRP A N 1 ATOM 4229 C CA . TRP A 1 530 ? -26.926 -9.981 3.540 1.00 26.66 ? 530 TRP A CA 1 ATOM 4230 C C . TRP A 1 530 ? -26.414 -10.682 2.255 1.00 28.52 ? 530 TRP A C 1 ATOM 4231 O O . TRP A 1 530 ? -27.006 -10.531 1.166 1.00 29.10 ? 530 TRP A O 1 ATOM 4232 C CB . TRP A 1 530 ? -26.487 -8.507 3.548 1.00 26.52 ? 530 TRP A CB 1 ATOM 4233 C CG . TRP A 1 530 ? -24.996 -8.353 3.251 1.00 28.18 ? 530 TRP A CG 1 ATOM 4234 C CD1 . TRP A 1 530 ? -23.966 -8.489 4.145 1.00 26.26 ? 530 TRP A CD1 1 ATOM 4235 C CD2 . TRP A 1 530 ? -24.393 -8.091 1.977 1.00 27.82 ? 530 TRP A CD2 1 ATOM 4236 N NE1 . TRP A 1 530 ? -22.762 -8.321 3.505 1.00 30.77 ? 530 TRP A NE1 1 ATOM 4237 C CE2 . TRP A 1 530 ? -22.984 -8.070 2.179 1.00 30.14 ? 530 TRP A CE2 1 ATOM 4238 C CE3 . TRP A 1 530 ? -24.902 -7.881 0.687 1.00 29.71 ? 530 TRP A CE3 1 ATOM 4239 C CZ2 . TRP A 1 530 ? -22.062 -7.846 1.131 1.00 33.74 ? 530 TRP A CZ2 1 ATOM 4240 C CZ3 . TRP A 1 530 ? -24.009 -7.654 -0.354 1.00 33.29 ? 530 TRP A CZ3 1 ATOM 4241 C CH2 . TRP A 1 530 ? -22.589 -7.646 -0.130 1.00 35.63 ? 530 TRP A CH2 1 ATOM 4242 N N . GLU A 1 531 ? -25.309 -11.418 2.405 1.00 27.76 ? 531 GLU A N 1 ATOM 4243 C CA . GLU A 1 531 ? -24.601 -12.099 1.322 1.00 30.63 ? 531 GLU A CA 1 ATOM 4244 C C . GLU A 1 531 ? -25.088 -13.582 1.136 1.00 30.55 ? 531 GLU A C 1 ATOM 4245 O O . GLU A 1 531 ? -24.680 -14.294 0.193 1.00 26.49 ? 531 GLU A O 1 ATOM 4246 C CB . GLU A 1 531 ? -23.159 -12.072 1.707 1.00 34.78 ? 531 GLU A CB 1 ATOM 4247 C CG . GLU A 1 531 ? -22.204 -11.467 0.745 1.00 39.76 ? 531 GLU A CG 1 ATOM 4248 C CD . GLU A 1 531 ? -20.761 -11.506 1.273 1.00 39.37 ? 531 GLU A CD 1 ATOM 4249 O OE1 . GLU A 1 531 ? -20.458 -11.354 2.532 1.00 36.31 ? 531 GLU A OE1 1 ATOM 4250 O OE2 . GLU A 1 531 ? -19.927 -11.731 0.372 1.00 39.49 ? 531 GLU A OE2 1 ATOM 4251 N N . ASN A 1 532 ? -25.964 -14.038 2.038 1.00 29.95 ? 532 ASN A N 1 ATOM 4252 C CA . ASN A 1 532 ? -26.541 -15.369 1.965 1.00 30.02 ? 532 ASN A CA 1 ATOM 4253 C C . ASN A 1 532 ? -27.511 -15.380 0.800 1.00 29.61 ? 532 ASN A C 1 ATOM 4254 O O . ASN A 1 532 ? -28.459 -14.578 0.794 1.00 28.87 ? 532 ASN A O 1 ATOM 4255 C CB . ASN A 1 532 ? -27.277 -15.796 3.236 1.00 27.07 ? 532 ASN A CB 1 ATOM 4256 C CG . ASN A 1 532 ? -27.565 -17.288 3.244 1.00 30.64 ? 532 ASN A CG 1 ATOM 4257 O OD1 . ASN A 1 532 ? -27.032 -18.015 2.414 1.00 28.20 ? 532 ASN A OD1 1 ATOM 4258 N ND2 . ASN A 1 532 ? -28.396 -17.753 4.185 1.00 31.94 ? 532 ASN A ND2 1 ATOM 4259 N N . PRO A 1 533 ? -27.271 -16.274 -0.193 1.00 35.28 ? 533 PRO A N 1 ATOM 4260 C CA . PRO A 1 533 ? -28.089 -16.081 -1.415 1.00 33.70 ? 533 PRO A CA 1 ATOM 4261 C C . PRO A 1 533 ? -29.547 -16.332 -1.104 1.00 31.87 ? 533 PRO A C 1 ATOM 4262 O O . PRO A 1 533 ? -29.863 -17.162 -0.274 1.00 32.29 ? 533 PRO A O 1 ATOM 4263 C CB . PRO A 1 533 ? -27.489 -17.059 -2.403 1.00 33.14 ? 533 PRO A CB 1 ATOM 4264 C CG . PRO A 1 533 ? -26.053 -17.223 -1.942 1.00 37.44 ? 533 PRO A CG 1 ATOM 4265 C CD . PRO A 1 533 ? -26.118 -17.177 -0.440 1.00 34.50 ? 533 PRO A CD 1 ATOM 4266 N N . GLY A 1 534 ? -30.416 -15.500 -1.646 1.00 33.01 ? 534 GLY A N 1 ATOM 4267 C CA . GLY A 1 534 ? -31.833 -15.654 -1.377 1.00 34.45 ? 534 GLY A CA 1 ATOM 4268 C C . GLY A 1 534 ? -32.389 -14.723 -0.342 1.00 28.63 ? 534 GLY A C 1 ATOM 4269 O O . GLY A 1 534 ? -33.547 -14.473 -0.383 1.00 28.17 ? 534 GLY A O 1 ATOM 4270 N N . VAL A 1 535 ? -31.561 -14.160 0.547 1.00 29.49 ? 535 VAL A N 1 ATOM 4271 C CA . VAL A 1 535 ? -32.034 -13.133 1.472 1.00 26.78 ? 535 VAL A CA 1 ATOM 4272 C C . VAL A 1 535 ? -32.363 -11.868 0.666 1.00 25.47 ? 535 VAL A C 1 ATOM 4273 O O . VAL A 1 535 ? -33.367 -11.176 0.938 1.00 23.98 ? 535 VAL A O 1 ATOM 4274 C CB . VAL A 1 535 ? -30.965 -12.858 2.553 1.00 26.53 ? 535 VAL A CB 1 ATOM 4275 C CG1 . VAL A 1 535 ? -31.280 -11.624 3.324 1.00 25.63 ? 535 VAL A CG1 1 ATOM 4276 C CG2 . VAL A 1 535 ? -30.783 -14.089 3.467 1.00 25.29 ? 535 VAL A CG2 1 ATOM 4277 N N . PHE A 1 536 ? -31.464 -11.510 -0.251 1.00 24.73 ? 536 PHE A N 1 ATOM 4278 C CA . PHE A 1 536 ? -31.743 -10.471 -1.289 1.00 26.78 ? 536 PHE A CA 1 ATOM 4279 C C . PHE A 1 536 ? -31.458 -11.141 -2.608 1.00 26.38 ? 536 PHE A C 1 ATOM 4280 O O . PHE A 1 536 ? -30.882 -12.229 -2.647 1.00 23.87 ? 536 PHE A O 1 ATOM 4281 C CB . PHE A 1 536 ? -30.808 -9.254 -1.214 1.00 28.32 ? 536 PHE A CB 1 ATOM 4282 C CG . PHE A 1 536 ? -30.858 -8.472 0.101 1.00 28.38 ? 536 PHE A CG 1 ATOM 4283 C CD1 . PHE A 1 536 ? -31.691 -7.371 0.227 1.00 27.03 ? 536 PHE A CD1 1 ATOM 4284 C CD2 . PHE A 1 536 ? -30.005 -8.792 1.172 1.00 26.46 ? 536 PHE A CD2 1 ATOM 4285 C CE1 . PHE A 1 536 ? -31.744 -6.643 1.390 1.00 27.38 ? 536 PHE A CE1 1 ATOM 4286 C CE2 . PHE A 1 536 ? -30.023 -8.037 2.354 1.00 24.86 ? 536 PHE A CE2 1 ATOM 4287 C CZ . PHE A 1 536 ? -30.889 -6.964 2.455 1.00 25.55 ? 536 PHE A CZ 1 ATOM 4288 N N . THR A 1 537 ? -31.798 -10.479 -3.688 1.00 27.28 ? 537 THR A N 1 ATOM 4289 C CA . THR A 1 537 ? -31.423 -10.974 -5.019 1.00 29.74 ? 537 THR A CA 1 ATOM 4290 C C . THR A 1 537 ? -30.023 -10.509 -5.382 1.00 31.27 ? 537 THR A C 1 ATOM 4291 O O . THR A 1 537 ? -29.472 -9.537 -4.791 1.00 27.41 ? 537 THR A O 1 ATOM 4292 C CB . THR A 1 537 ? -32.348 -10.389 -6.096 1.00 27.87 ? 537 THR A CB 1 ATOM 4293 O OG1 . THR A 1 537 ? -32.116 -8.982 -6.174 1.00 26.19 ? 537 THR A OG1 1 ATOM 4294 C CG2 . THR A 1 537 ? -33.798 -10.678 -5.730 1.00 30.03 ? 537 THR A CG2 1 ATOM 4295 N N . GLU A 1 538 ? -29.494 -11.137 -6.433 1.00 31.09 ? 538 GLU A N 1 ATOM 4296 C CA . GLU A 1 538 ? -28.232 -10.675 -6.990 1.00 36.78 ? 538 GLU A CA 1 ATOM 4297 C C . GLU A 1 538 ? -28.246 -9.190 -7.337 1.00 33.69 ? 538 GLU A C 1 ATOM 4298 O O . GLU A 1 538 ? -27.339 -8.468 -6.932 1.00 32.45 ? 538 GLU A O 1 ATOM 4299 C CB . GLU A 1 538 ? -27.776 -11.478 -8.198 1.00 41.92 ? 538 GLU A CB 1 ATOM 4300 C CG . GLU A 1 538 ? -26.260 -11.473 -8.300 1.00 47.79 ? 538 GLU A CG 1 ATOM 4301 C CD . GLU A 1 538 ? -25.784 -11.401 -9.711 1.00 60.59 ? 538 GLU A CD 1 ATOM 4302 O OE1 . GLU A 1 538 ? -25.955 -10.293 -10.264 1.00 85.19 ? 538 GLU A OE1 1 ATOM 4303 O OE2 . GLU A 1 538 ? -25.253 -12.409 -10.248 1.00 56.63 ? 538 GLU A OE2 1 ATOM 4304 N N . LYS A 1 539 ? -29.285 -8.742 -8.032 1.00 32.38 ? 539 LYS A N 1 ATOM 4305 C CA . LYS A 1 539 ? -29.405 -7.341 -8.378 1.00 36.34 ? 539 LYS A CA 1 ATOM 4306 C C . LYS A 1 539 ? -29.520 -6.411 -7.170 1.00 34.35 ? 539 LYS A C 1 ATOM 4307 O O . LYS A 1 539 ? -29.053 -5.260 -7.221 1.00 34.97 ? 539 LYS A O 1 ATOM 4308 C CB . LYS A 1 539 ? -30.613 -7.129 -9.289 1.00 43.20 ? 539 LYS A CB 1 ATOM 4309 C CG . LYS A 1 539 ? -30.446 -7.683 -10.685 1.00 52.22 ? 539 LYS A CG 1 ATOM 4310 C CD . LYS A 1 539 ? -31.778 -7.753 -11.428 1.00 60.42 ? 539 LYS A CD 1 ATOM 4311 C CE . LYS A 1 539 ? -32.333 -6.384 -11.797 1.00 64.84 ? 539 LYS A CE 1 ATOM 4312 N NZ . LYS A 1 539 ? -33.432 -6.488 -12.808 1.00 72.80 ? 539 LYS A NZ 1 ATOM 4313 N N . GLN A 1 540 ? -30.177 -6.882 -6.104 1.00 33.69 ? 540 GLN A N 1 ATOM 4314 C CA . GLN A 1 540 ? -30.221 -6.111 -4.855 1.00 32.71 ? 540 GLN A CA 1 ATOM 4315 C C . GLN A 1 540 ? -28.835 -6.020 -4.213 1.00 29.11 ? 540 GLN A C 1 ATOM 4316 O O . GLN A 1 540 ? -28.368 -4.923 -3.895 1.00 29.94 ? 540 GLN A O 1 ATOM 4317 C CB . GLN A 1 540 ? -31.268 -6.691 -3.909 1.00 31.91 ? 540 GLN A CB 1 ATOM 4318 C CG . GLN A 1 540 ? -32.687 -6.461 -4.389 1.00 31.36 ? 540 GLN A CG 1 ATOM 4319 C CD . GLN A 1 540 ? -33.697 -7.329 -3.692 1.00 32.90 ? 540 GLN A CD 1 ATOM 4320 O OE1 . GLN A 1 540 ? -33.352 -8.226 -2.989 1.00 32.42 ? 540 GLN A OE1 1 ATOM 4321 N NE2 . GLN A 1 540 ? -34.969 -7.066 -3.921 1.00 40.44 ? 540 GLN A NE2 1 ATOM 4322 N N . ARG A 1 541 ? -28.170 -7.159 -4.068 1.00 28.97 ? 541 ARG A N 1 ATOM 4323 C CA . ARG A 1 541 ? -26.767 -7.176 -3.603 1.00 31.82 ? 541 ARG A CA 1 ATOM 4324 C C . ARG A 1 541 ? -25.824 -6.285 -4.456 1.00 33.52 ? 541 ARG A C 1 ATOM 4325 O O . ARG A 1 541 ? -24.912 -5.648 -3.919 1.00 28.14 ? 541 ARG A O 1 ATOM 4326 C CB . ARG A 1 541 ? -26.194 -8.609 -3.588 1.00 31.65 ? 541 ARG A CB 1 ATOM 4327 C CG . ARG A 1 541 ? -26.789 -9.525 -2.526 1.00 31.48 ? 541 ARG A CG 1 ATOM 4328 C CD . ARG A 1 541 ? -25.906 -10.755 -2.292 1.00 31.94 ? 541 ARG A CD 1 ATOM 4329 N NE . ARG A 1 541 ? -25.811 -11.566 -3.477 1.00 33.72 ? 541 ARG A NE 1 ATOM 4330 C CZ . ARG A 1 541 ? -26.772 -12.387 -3.928 1.00 37.92 ? 541 ARG A CZ 1 ATOM 4331 N NH1 . ARG A 1 541 ? -27.950 -12.537 -3.282 1.00 38.74 ? 541 ARG A NH1 1 ATOM 4332 N NH2 . ARG A 1 541 ? -26.584 -13.026 -5.067 1.00 33.51 ? 541 ARG A NH2 1 ATOM 4333 N N . ASP A 1 542 ? -26.042 -6.241 -5.773 1.00 32.89 ? 542 ASP A N 1 ATOM 4334 C CA . ASP A 1 542 ? -25.214 -5.375 -6.632 1.00 40.59 ? 542 ASP A CA 1 ATOM 4335 C C . ASP A 1 542 ? -25.433 -3.914 -6.274 1.00 35.08 ? 542 ASP A C 1 ATOM 4336 O O . ASP A 1 542 ? -24.533 -3.107 -6.323 1.00 33.20 ? 542 ASP A O 1 ATOM 4337 C CB . ASP A 1 542 ? -25.551 -5.556 -8.125 1.00 43.74 ? 542 ASP A CB 1 ATOM 4338 C CG . ASP A 1 542 ? -25.094 -6.893 -8.670 1.00 50.47 ? 542 ASP A CG 1 ATOM 4339 O OD1 . ASP A 1 542 ? -25.863 -7.520 -9.430 1.00 54.15 ? 542 ASP A OD1 1 ATOM 4340 O OD2 . ASP A 1 542 ? -23.984 -7.338 -8.307 1.00 64.89 ? 542 ASP A OD2 1 ATOM 4341 N N . SER A 1 543 ? -26.677 -3.600 -5.993 1.00 34.64 ? 543 SER A N 1 ATOM 4342 C CA . SER A 1 543 ? -27.057 -2.265 -5.596 1.00 37.37 ? 543 SER A CA 1 ATOM 4343 C C . SER A 1 543 ? -26.559 -1.935 -4.138 1.00 32.17 ? 543 SER A C 1 ATOM 4344 O O . SER A 1 543 ? -25.996 -0.847 -3.871 1.00 30.16 ? 543 SER A O 1 ATOM 4345 C CB . SER A 1 543 ? -28.568 -2.129 -5.816 1.00 41.23 ? 543 SER A CB 1 ATOM 4346 O OG . SER A 1 543 ? -29.115 -1.287 -4.852 1.00 58.04 ? 543 SER A OG 1 ATOM 4347 N N . LEU A 1 544 ? -26.681 -2.909 -3.238 1.00 28.53 ? 544 LEU A N 1 ATOM 4348 C CA . LEU A 1 544 ? -26.317 -2.710 -1.803 1.00 29.22 ? 544 LEU A CA 1 ATOM 4349 C C . LEU A 1 544 ? -24.829 -2.428 -1.680 1.00 30.51 ? 544 LEU A C 1 ATOM 4350 O O . LEU A 1 544 ? -24.409 -1.604 -0.883 1.00 31.15 ? 544 LEU A O 1 ATOM 4351 C CB . LEU A 1 544 ? -26.710 -3.911 -0.979 1.00 25.77 ? 544 LEU A CB 1 ATOM 4352 C CG . LEU A 1 544 ? -28.205 -4.190 -0.724 1.00 26.96 ? 544 LEU A CG 1 ATOM 4353 C CD1 . LEU A 1 544 ? -28.449 -5.578 -0.183 1.00 29.32 ? 544 LEU A CD1 1 ATOM 4354 C CD2 . LEU A 1 544 ? -28.859 -3.231 0.231 1.00 28.92 ? 544 LEU A CD2 1 ATOM 4355 N N . GLN A 1 545 ? -24.030 -3.023 -2.549 1.00 31.05 ? 545 GLN A N 1 ATOM 4356 C CA . GLN A 1 545 ? -22.618 -2.837 -2.438 1.00 33.72 ? 545 GLN A CA 1 ATOM 4357 C C . GLN A 1 545 ? -22.057 -1.518 -2.921 1.00 33.69 ? 545 GLN A C 1 ATOM 4358 O O . GLN A 1 545 ? -20.869 -1.239 -2.690 1.00 34.12 ? 545 GLN A O 1 ATOM 4359 C CB . GLN A 1 545 ? -21.881 -4.044 -2.954 1.00 40.50 ? 545 GLN A CB 1 ATOM 4360 C CG . GLN A 1 545 ? -21.565 -4.137 -4.404 1.00 48.00 ? 545 GLN A CG 1 ATOM 4361 C CD . GLN A 1 545 ? -20.939 -5.504 -4.693 1.00 59.69 ? 545 GLN A CD 1 ATOM 4362 O OE1 . GLN A 1 545 ? -21.055 -6.434 -3.881 1.00 66.14 ? 545 GLN A OE1 1 ATOM 4363 N NE2 . GLN A 1 545 ? -20.268 -5.631 -5.842 1.00 64.96 ? 545 GLN A NE2 1 ATOM 4364 N N . LYS A 1 546 ? -22.913 -0.667 -3.484 1.00 32.70 ? 546 LYS A N 1 ATOM 4365 C CA . LYS A 1 546 ? -22.569 0.745 -3.757 1.00 34.05 ? 546 LYS A CA 1 ATOM 4366 C C . LYS A 1 546 ? -22.706 1.711 -2.588 1.00 33.72 ? 546 LYS A C 1 ATOM 4367 O O . LYS A 1 546 ? -22.407 2.916 -2.747 1.00 34.26 ? 546 LYS A O 1 ATOM 4368 C CB . LYS A 1 546 ? -23.431 1.246 -4.921 1.00 38.76 ? 546 LYS A CB 1 ATOM 4369 C CG . LYS A 1 546 ? -23.163 0.443 -6.201 1.00 48.41 ? 546 LYS A CG 1 ATOM 4370 C CD . LYS A 1 546 ? -23.804 1.099 -7.418 1.00 57.85 ? 546 LYS A CD 1 ATOM 4371 C CE . LYS A 1 546 ? -23.751 0.208 -8.657 1.00 63.17 ? 546 LYS A CE 1 ATOM 4372 N NZ . LYS A 1 546 ? -24.605 0.793 -9.739 1.00 67.87 ? 546 LYS A NZ 1 ATOM 4373 N N . MET A 1 547 ? -23.181 1.210 -1.443 1.00 32.94 ? 547 MET A N 1 ATOM 4374 C CA . MET A 1 547 ? -23.542 2.022 -0.304 1.00 30.39 ? 547 MET A CA 1 ATOM 4375 C C . MET A 1 547 ? -22.280 2.409 0.407 1.00 26.35 ? 547 MET A C 1 ATOM 4376 O O . MET A 1 547 ? -21.331 1.672 0.405 1.00 25.89 ? 547 MET A O 1 ATOM 4377 C CB . MET A 1 547 ? -24.455 1.243 0.686 1.00 37.38 ? 547 MET A CB 1 ATOM 4378 C CG . MET A 1 547 ? -25.919 1.044 0.270 1.00 42.02 ? 547 MET A CG 1 ATOM 4379 S SD . MET A 1 547 ? -27.128 0.433 1.546 1.00 45.18 ? 547 MET A SD 1 ATOM 4380 C CE . MET A 1 547 ? -26.310 -1.072 2.095 1.00 41.58 ? 547 MET A CE 1 ATOM 4381 N N . SER A 1 548 ? -22.270 3.598 1.003 1.00 27.32 ? 548 SER A N 1 ATOM 4382 C CA . SER A 1 548 ? -21.149 4.049 1.804 1.00 26.61 ? 548 SER A CA 1 ATOM 4383 C C . SER A 1 548 ? -21.635 4.932 2.941 1.00 27.79 ? 548 SER A C 1 ATOM 4384 O O . SER A 1 548 ? -22.770 5.452 2.900 1.00 24.53 ? 548 SER A O 1 ATOM 4385 C CB . SER A 1 548 ? -20.156 4.818 0.923 1.00 23.54 ? 548 SER A CB 1 ATOM 4386 O OG . SER A 1 548 ? -20.731 6.024 0.445 1.00 23.58 ? 548 SER A OG 1 ATOM 4387 N N . PHE A 1 549 ? -20.769 5.183 3.936 1.00 27.98 ? 549 PHE A N 1 ATOM 4388 C CA . PHE A 1 549 ? -21.180 6.154 4.973 1.00 29.01 ? 549 PHE A CA 1 ATOM 4389 C C . PHE A 1 549 ? -21.333 7.581 4.428 1.00 26.09 ? 549 PHE A C 1 ATOM 4390 O O . PHE A 1 549 ? -22.218 8.331 4.845 1.00 24.35 ? 549 PHE A O 1 ATOM 4391 C CB . PHE A 1 549 ? -20.245 6.153 6.171 1.00 28.73 ? 549 PHE A CB 1 ATOM 4392 C CG . PHE A 1 549 ? -20.895 6.634 7.431 1.00 27.13 ? 549 PHE A CG 1 ATOM 4393 C CD1 . PHE A 1 549 ? -20.872 7.957 7.772 1.00 28.45 ? 549 PHE A CD1 1 ATOM 4394 C CD2 . PHE A 1 549 ? -21.504 5.760 8.275 1.00 32.19 ? 549 PHE A CD2 1 ATOM 4395 C CE1 . PHE A 1 549 ? -21.443 8.402 8.965 1.00 34.09 ? 549 PHE A CE1 1 ATOM 4396 C CE2 . PHE A 1 549 ? -22.085 6.187 9.464 1.00 33.09 ? 549 PHE A CE2 1 ATOM 4397 C CZ . PHE A 1 549 ? -22.063 7.523 9.803 1.00 32.77 ? 549 PHE A CZ 1 ATOM 4398 N N . SER A 1 550 ? -20.493 7.954 3.482 1.00 28.63 ? 550 SER A N 1 ATOM 4399 C CA . SER A 1 550 ? -20.607 9.276 2.846 1.00 28.39 ? 550 SER A CA 1 ATOM 4400 C C . SER A 1 550 ? -21.980 9.483 2.270 1.00 26.14 ? 550 SER A C 1 ATOM 4401 O O . SER A 1 550 ? -22.608 10.514 2.516 1.00 26.63 ? 550 SER A O 1 ATOM 4402 C CB . SER A 1 550 ? -19.536 9.435 1.769 1.00 32.28 ? 550 SER A CB 1 ATOM 4403 O OG . SER A 1 550 ? -18.277 9.494 2.385 1.00 31.03 ? 550 SER A OG 1 ATOM 4404 N N . ARG A 1 551 ? -22.485 8.466 1.567 1.00 25.40 ? 551 ARG A N 1 ATOM 4405 C CA . ARG A 1 551 ? -23.829 8.509 1.024 1.00 26.64 ? 551 ARG A CA 1 ATOM 4406 C C . ARG A 1 551 ? -24.917 8.588 2.126 1.00 24.92 ? 551 ARG A C 1 ATOM 4407 O O . ARG A 1 551 ? -25.855 9.334 2.005 1.00 26.65 ? 551 ARG A O 1 ATOM 4408 C CB . ARG A 1 551 ? -24.075 7.311 0.118 1.00 28.98 ? 551 ARG A CB 1 ATOM 4409 C CG . ARG A 1 551 ? -25.412 7.322 -0.648 1.00 32.88 ? 551 ARG A CG 1 ATOM 4410 C CD . ARG A 1 551 ? -25.325 8.310 -1.792 1.00 37.63 ? 551 ARG A CD 1 ATOM 4411 N NE . ARG A 1 551 ? -26.134 9.473 -1.702 1.00 43.80 ? 551 ARG A NE 1 ATOM 4412 C CZ . ARG A 1 551 ? -25.988 10.551 -2.465 1.00 41.01 ? 551 ARG A CZ 1 ATOM 4413 N NH1 . ARG A 1 551 ? -25.046 10.658 -3.403 1.00 41.27 ? 551 ARG A NH1 1 ATOM 4414 N NH2 . ARG A 1 551 ? -26.801 11.547 -2.255 1.00 45.52 ? 551 ARG A NH2 1 ATOM 4415 N N . LEU A 1 552 ? -24.823 7.798 3.176 1.00 23.54 ? 552 LEU A N 1 ATOM 4416 C CA . LEU A 1 552 ? -25.723 7.977 4.289 1.00 23.28 ? 552 LEU A CA 1 ATOM 4417 C C . LEU A 1 552 ? -25.831 9.461 4.718 1.00 23.45 ? 552 LEU A C 1 ATOM 4418 O O . LEU A 1 552 ? -26.917 9.986 4.927 1.00 25.67 ? 552 LEU A O 1 ATOM 4419 C CB . LEU A 1 552 ? -25.198 7.166 5.488 1.00 26.77 ? 552 LEU A CB 1 ATOM 4420 C CG . LEU A 1 552 ? -26.123 7.101 6.686 1.00 25.06 ? 552 LEU A CG 1 ATOM 4421 C CD1 . LEU A 1 552 ? -27.250 6.142 6.329 1.00 26.98 ? 552 LEU A CD1 1 ATOM 4422 C CD2 . LEU A 1 552 ? -25.311 6.622 7.871 1.00 25.64 ? 552 LEU A CD2 1 ATOM 4423 N N . ILE A 1 553 ? -24.691 10.137 4.863 1.00 24.66 ? 553 ILE A N 1 ATOM 4424 C CA . ILE A 1 553 ? -24.683 11.532 5.298 1.00 24.80 ? 553 ILE A CA 1 ATOM 4425 C C . ILE A 1 553 ? -25.344 12.440 4.238 1.00 24.14 ? 553 ILE A C 1 ATOM 4426 O O . ILE A 1 553 ? -26.224 13.192 4.584 1.00 24.64 ? 553 ILE A O 1 ATOM 4427 C CB . ILE A 1 553 ? -23.263 11.996 5.655 1.00 25.66 ? 553 ILE A CB 1 ATOM 4428 C CG1 . ILE A 1 553 ? -22.807 11.325 6.957 1.00 28.05 ? 553 ILE A CG1 1 ATOM 4429 C CG2 . ILE A 1 553 ? -23.210 13.538 5.792 1.00 26.06 ? 553 ILE A CG2 1 ATOM 4430 C CD1 . ILE A 1 553 ? -21.312 11.372 7.099 1.00 30.31 ? 553 ILE A CD1 1 ATOM 4431 N N . CYS A 1 554 ? -24.923 12.320 2.973 1.00 23.92 ? 554 CYS A N 1 ATOM 4432 C CA . CYS A 1 554 ? -25.496 13.083 1.853 1.00 26.30 ? 554 CYS A CA 1 ATOM 4433 C C . CYS A 1 554 ? -26.992 12.992 1.777 1.00 28.16 ? 554 CYS A C 1 ATOM 4434 O O . CYS A 1 554 ? -27.641 13.982 1.463 1.00 30.14 ? 554 CYS A O 1 ATOM 4435 C CB . CYS A 1 554 ? -24.970 12.593 0.513 1.00 26.63 ? 554 CYS A CB 1 ATOM 4436 S SG . CYS A 1 554 ? -23.239 12.935 0.272 1.00 33.35 ? 554 CYS A SG 1 ATOM 4437 N N . ASP A 1 555 ? -27.520 11.803 2.008 1.00 26.96 ? 555 ASP A N 1 ATOM 4438 C CA . ASP A 1 555 ? -28.946 11.538 1.922 1.00 28.34 ? 555 ASP A CA 1 ATOM 4439 C C . ASP A 1 555 ? -29.752 12.030 3.071 1.00 28.16 ? 555 ASP A C 1 ATOM 4440 O O . ASP A 1 555 ? -30.943 12.192 2.922 1.00 31.91 ? 555 ASP A O 1 ATOM 4441 C CB . ASP A 1 555 ? -29.223 10.017 1.817 1.00 30.87 ? 555 ASP A CB 1 ATOM 4442 C CG . ASP A 1 555 ? -28.992 9.467 0.423 1.00 31.91 ? 555 ASP A CG 1 ATOM 4443 O OD1 . ASP A 1 555 ? -28.904 10.201 -0.584 1.00 30.40 ? 555 ASP A OD1 1 ATOM 4444 O OD2 . ASP A 1 555 ? -28.845 8.254 0.355 1.00 36.08 ? 555 ASP A OD2 1 ATOM 4445 N N . ASN A 1 556 ? -29.157 12.168 4.247 1.00 29.23 ? 556 ASN A N 1 ATOM 4446 C CA . ASN A 1 556 ? -29.951 12.418 5.448 1.00 27.38 ? 556 ASN A CA 1 ATOM 4447 C C . ASN A 1 556 ? -29.438 13.558 6.287 1.00 28.93 ? 556 ASN A C 1 ATOM 4448 O O . ASN A 1 556 ? -29.763 13.631 7.486 1.00 32.24 ? 556 ASN A O 1 ATOM 4449 C CB . ASN A 1 556 ? -29.941 11.156 6.337 1.00 29.57 ? 556 ASN A CB 1 ATOM 4450 C CG . ASN A 1 556 ? -30.445 9.922 5.627 1.00 26.33 ? 556 ASN A CG 1 ATOM 4451 O OD1 . ASN A 1 556 ? -31.640 9.758 5.517 1.00 27.27 ? 556 ASN A OD1 1 ATOM 4452 N ND2 . ASN A 1 556 ? -29.542 9.039 5.203 1.00 25.38 ? 556 ASN A ND2 1 ATOM 4453 N N . THR A 1 557 ? -28.605 14.412 5.714 1.00 28.97 ? 557 THR A N 1 ATOM 4454 C CA . THR A 1 557 ? -28.282 15.700 6.342 1.00 26.07 ? 557 THR A CA 1 ATOM 4455 C C . THR A 1 557 ? -28.329 16.809 5.272 1.00 28.61 ? 557 THR A C 1 ATOM 4456 O O . THR A 1 557 ? -28.550 16.536 4.082 1.00 26.98 ? 557 THR A O 1 ATOM 4457 C CB . THR A 1 557 ? -26.871 15.670 6.921 1.00 25.55 ? 557 THR A CB 1 ATOM 4458 O OG1 . THR A 1 557 ? -25.900 15.540 5.870 1.00 28.47 ? 557 THR A OG1 1 ATOM 4459 C CG2 . THR A 1 557 ? -26.671 14.506 7.889 1.00 27.68 ? 557 THR A CG2 1 ATOM 4460 N N . HIS A 1 558 ? -28.042 18.045 5.691 1.00 27.57 ? 558 HIS A N 1 ATOM 4461 C CA . HIS A 1 558 ? -27.835 19.145 4.749 1.00 31.40 ? 558 HIS A CA 1 ATOM 4462 C C . HIS A 1 558 ? -26.355 19.353 4.415 1.00 29.85 ? 558 HIS A C 1 ATOM 4463 O O . HIS A 1 558 ? -25.994 20.366 3.856 1.00 33.18 ? 558 HIS A O 1 ATOM 4464 C CB . HIS A 1 558 ? -28.527 20.416 5.245 1.00 31.08 ? 558 HIS A CB 1 ATOM 4465 C CG . HIS A 1 558 ? -30.009 20.329 5.149 1.00 33.65 ? 558 HIS A CG 1 ATOM 4466 N ND1 . HIS A 1 558 ? -30.827 20.306 6.254 1.00 32.61 ? 558 HIS A ND1 1 ATOM 4467 C CD2 . HIS A 1 558 ? -30.822 20.215 4.071 1.00 38.62 ? 558 HIS A CD2 1 ATOM 4468 C CE1 . HIS A 1 558 ? -32.082 20.209 5.871 1.00 37.78 ? 558 HIS A CE1 1 ATOM 4469 N NE2 . HIS A 1 558 ? -32.109 20.146 4.549 1.00 44.56 ? 558 HIS A NE2 1 ATOM 4470 N N . ILE A 1 559 ? -25.529 18.351 4.680 1.00 26.43 ? 559 ILE A N 1 ATOM 4471 C CA . ILE A 1 559 ? -24.140 18.354 4.253 1.00 26.31 ? 559 ILE A CA 1 ATOM 4472 C C . ILE A 1 559 ? -24.024 17.899 2.803 1.00 26.05 ? 559 ILE A C 1 ATOM 4473 O O . ILE A 1 559 ? -24.566 16.848 2.407 1.00 24.45 ? 559 ILE A O 1 ATOM 4474 C CB . ILE A 1 559 ? -23.297 17.418 5.167 1.00 28.94 ? 559 ILE A CB 1 ATOM 4475 C CG1 . ILE A 1 559 ? -23.338 17.910 6.632 1.00 28.76 ? 559 ILE A CG1 1 ATOM 4476 C CG2 . ILE A 1 559 ? -21.848 17.215 4.658 1.00 28.58 ? 559 ILE A CG2 1 ATOM 4477 C CD1 . ILE A 1 559 ? -23.003 16.814 7.659 1.00 30.50 ? 559 ILE A CD1 1 ATOM 4478 N N . THR A 1 560 ? -23.288 18.672 2.032 1.00 24.41 ? 560 THR A N 1 ATOM 4479 C CA . THR A 1 560 ? -22.977 18.350 0.638 1.00 26.57 ? 560 THR A CA 1 ATOM 4480 C C . THR A 1 560 ? -21.492 18.103 0.338 1.00 25.78 ? 560 THR A C 1 ATOM 4481 O O . THR A 1 560 ? -21.171 17.585 -0.693 1.00 23.58 ? 560 THR A O 1 ATOM 4482 C CB . THR A 1 560 ? -23.446 19.486 -0.324 1.00 29.19 ? 560 THR A CB 1 ATOM 4483 O OG1 . THR A 1 560 ? -22.784 20.709 0.037 1.00 29.04 ? 560 THR A OG1 1 ATOM 4484 C CG2 . THR A 1 560 ? -24.954 19.665 -0.234 1.00 27.51 ? 560 THR A CG2 1 ATOM 4485 N N . LYS A 1 561 ? -20.602 18.454 1.252 1.00 27.75 ? 561 LYS A N 1 ATOM 4486 C CA . LYS A 1 561 ? -19.186 18.165 1.105 1.00 28.35 ? 561 LYS A CA 1 ATOM 4487 C C . LYS A 1 561 ? -18.720 17.017 2.033 1.00 28.06 ? 561 LYS A C 1 ATOM 4488 O O . LYS A 1 561 ? -18.791 17.114 3.274 1.00 27.62 ? 561 LYS A O 1 ATOM 4489 C CB . LYS A 1 561 ? -18.416 19.408 1.439 1.00 32.10 ? 561 LYS A CB 1 ATOM 4490 C CG . LYS A 1 561 ? -18.940 20.632 0.695 1.00 36.37 ? 561 LYS A CG 1 ATOM 4491 C CD . LYS A 1 561 ? -17.926 21.741 0.757 1.00 39.06 ? 561 LYS A CD 1 ATOM 4492 C CE . LYS A 1 561 ? -18.099 22.593 1.952 1.00 43.25 ? 561 LYS A CE 1 ATOM 4493 N NZ . LYS A 1 561 ? -18.405 24.033 1.602 1.00 40.27 ? 561 LYS A NZ 1 ATOM 4494 N N . VAL A 1 562 ? -18.251 15.957 1.401 1.00 27.34 ? 562 VAL A N 1 ATOM 4495 C CA . VAL A 1 562 ? -17.938 14.698 2.052 1.00 27.29 ? 562 VAL A CA 1 ATOM 4496 C C . VAL A 1 562 ? -16.686 14.085 1.431 1.00 27.03 ? 562 VAL A C 1 ATOM 4497 O O . VAL A 1 562 ? -16.435 14.300 0.247 1.00 30.57 ? 562 VAL A O 1 ATOM 4498 C CB . VAL A 1 562 ? -19.119 13.719 1.963 1.00 28.35 ? 562 VAL A CB 1 ATOM 4499 C CG1 . VAL A 1 562 ? -20.324 14.230 2.769 1.00 28.54 ? 562 VAL A CG1 1 ATOM 4500 C CG2 . VAL A 1 562 ? -19.511 13.431 0.525 1.00 25.68 ? 562 VAL A CG2 1 ATOM 4501 N N . PRO A 1 563 ? -15.936 13.279 2.207 1.00 28.56 ? 563 PRO A N 1 ATOM 4502 C CA . PRO A 1 563 ? -14.829 12.483 1.669 1.00 31.33 ? 563 PRO A CA 1 ATOM 4503 C C . PRO A 1 563 ? -15.343 11.229 1.007 1.00 34.69 ? 563 PRO A C 1 ATOM 4504 O O . PRO A 1 563 ? -16.494 10.822 1.257 1.00 37.16 ? 563 PRO A O 1 ATOM 4505 C CB . PRO A 1 563 ? -14.048 12.085 2.943 1.00 32.24 ? 563 PRO A CB 1 ATOM 4506 C CG . PRO A 1 563 ? -15.161 11.863 3.957 1.00 29.82 ? 563 PRO A CG 1 ATOM 4507 C CD . PRO A 1 563 ? -16.164 12.969 3.651 1.00 30.01 ? 563 PRO A CD 1 ATOM 4508 N N . LEU A 1 564 ? -14.506 10.597 0.192 1.00 35.84 ? 564 LEU A N 1 ATOM 4509 C CA . LEU A 1 564 ? -14.861 9.284 -0.371 1.00 41.40 ? 564 LEU A CA 1 ATOM 4510 C C . LEU A 1 564 ? -14.587 8.170 0.664 1.00 38.46 ? 564 LEU A C 1 ATOM 4511 O O . LEU A 1 564 ? -15.322 7.214 0.724 1.00 41.92 ? 564 LEU A O 1 ATOM 4512 C CB . LEU A 1 564 ? -14.052 8.993 -1.649 1.00 45.41 ? 564 LEU A CB 1 ATOM 4513 C CG . LEU A 1 564 ? -14.295 9.812 -2.907 1.00 46.26 ? 564 LEU A CG 1 ATOM 4514 C CD1 . LEU A 1 564 ? -13.142 9.607 -3.861 1.00 48.48 ? 564 LEU A CD1 1 ATOM 4515 C CD2 . LEU A 1 564 ? -15.603 9.435 -3.576 1.00 48.96 ? 564 LEU A CD2 1 ATOM 4516 N N . HIS A 1 565 ? -13.544 8.309 1.479 1.00 40.29 ? 565 HIS A N 1 ATOM 4517 C CA . HIS A 1 565 ? -13.138 7.270 2.468 1.00 40.38 ? 565 HIS A CA 1 ATOM 4518 C C . HIS A 1 565 ? -13.370 7.771 3.882 1.00 36.97 ? 565 HIS A C 1 ATOM 4519 O O . HIS A 1 565 ? -12.431 8.210 4.597 1.00 39.10 ? 565 HIS A O 1 ATOM 4520 C CB . HIS A 1 565 ? -11.666 6.910 2.282 1.00 44.07 ? 565 HIS A CB 1 ATOM 4521 C CG . HIS A 1 565 ? -11.364 6.360 0.933 1.00 52.63 ? 565 HIS A CG 1 ATOM 4522 N ND1 . HIS A 1 565 ? -11.846 5.138 0.512 1.00 58.40 ? 565 HIS A ND1 1 ATOM 4523 C CD2 . HIS A 1 565 ? -10.657 6.866 -0.104 1.00 54.67 ? 565 HIS A CD2 1 ATOM 4524 C CE1 . HIS A 1 565 ? -11.429 4.908 -0.718 1.00 56.71 ? 565 HIS A CE1 1 ATOM 4525 N NE2 . HIS A 1 565 ? -10.711 5.941 -1.117 1.00 53.92 ? 565 HIS A NE2 1 ATOM 4526 N N . ALA A 1 566 ? -14.614 7.661 4.309 1.00 28.98 ? 566 ALA A N 1 ATOM 4527 C CA . ALA A 1 566 ? -15.085 8.239 5.558 1.00 29.23 ? 566 ALA A CA 1 ATOM 4528 C C . ALA A 1 566 ? -14.315 7.848 6.820 1.00 28.55 ? 566 ALA A C 1 ATOM 4529 O O . ALA A 1 566 ? -14.198 8.659 7.723 1.00 29.47 ? 566 ALA A O 1 ATOM 4530 C CB . ALA A 1 566 ? -16.575 7.955 5.745 1.00 30.14 ? 566 ALA A CB 1 ATOM 4531 N N . PHE A 1 567 ? -13.765 6.646 6.881 1.00 27.52 ? 567 PHE A N 1 ATOM 4532 C CA . PHE A 1 567 ? -13.087 6.174 8.102 1.00 29.46 ? 567 PHE A CA 1 ATOM 4533 C C . PHE A 1 567 ? -11.608 6.573 8.275 1.00 29.81 ? 567 PHE A C 1 ATOM 4534 O O . PHE A 1 567 ? -11.065 6.558 9.416 1.00 30.33 ? 567 PHE A O 1 ATOM 4535 C CB . PHE A 1 567 ? -13.175 4.641 8.195 1.00 29.83 ? 567 PHE A CB 1 ATOM 4536 C CG . PHE A 1 567 ? -14.506 4.128 8.667 1.00 32.74 ? 567 PHE A CG 1 ATOM 4537 C CD1 . PHE A 1 567 ? -15.073 4.579 9.825 1.00 39.10 ? 567 PHE A CD1 1 ATOM 4538 C CD2 . PHE A 1 567 ? -15.189 3.204 7.957 1.00 39.48 ? 567 PHE A CD2 1 ATOM 4539 C CE1 . PHE A 1 567 ? -16.296 4.107 10.264 1.00 38.06 ? 567 PHE A CE1 1 ATOM 4540 C CE2 . PHE A 1 567 ? -16.428 2.743 8.371 1.00 40.97 ? 567 PHE A CE2 1 ATOM 4541 C CZ . PHE A 1 567 ? -16.990 3.200 9.514 1.00 37.14 ? 567 PHE A CZ 1 ATOM 4542 N N . GLN A 1 568 ? -10.929 6.823 7.171 1.00 30.73 ? 568 GLN A N 1 ATOM 4543 C CA . GLN A 1 568 ? -9.547 7.266 7.245 1.00 36.34 ? 568 GLN A CA 1 ATOM 4544 C C . GLN A 1 568 ? -9.568 8.756 7.668 1.00 35.23 ? 568 GLN A C 1 ATOM 4545 O O . GLN A 1 568 ? -10.609 9.398 7.692 1.00 35.81 ? 568 GLN A O 1 ATOM 4546 C CB . GLN A 1 568 ? -8.807 7.018 5.929 1.00 37.66 ? 568 GLN A CB 1 ATOM 4547 C CG . GLN A 1 568 ? -9.255 7.925 4.810 1.00 50.01 ? 568 GLN A CG 1 ATOM 4548 C CD . GLN A 1 568 ? -8.378 7.835 3.584 1.00 66.01 ? 568 GLN A CD 1 ATOM 4549 O OE1 . GLN A 1 568 ? -7.812 6.774 3.293 1.00 76.73 ? 568 GLN A OE1 1 ATOM 4550 N NE2 . GLN A 1 568 ? -8.259 8.953 2.847 1.00 70.13 ? 568 GLN A NE2 1 ATOM 4551 N N . ALA A 1 569 ? -8.433 9.289 8.051 1.00 35.60 ? 569 ALA A N 1 ATOM 4552 C CA . ALA A 1 569 ? -8.364 10.693 8.379 1.00 39.46 ? 569 ALA A CA 1 ATOM 4553 C C . ALA A 1 569 ? -8.413 11.496 7.077 1.00 42.12 ? 569 ALA A C 1 ATOM 4554 O O . ALA A 1 569 ? -7.757 11.122 6.092 1.00 44.77 ? 569 ALA A O 1 ATOM 4555 C CB . ALA A 1 569 ? -7.100 11.003 9.126 1.00 39.29 ? 569 ALA A CB 1 ATOM 4556 N N . ASN A 1 570 ? -9.219 12.559 7.065 1.00 38.83 ? 570 ASN A N 1 ATOM 4557 C CA . ASN A 1 570 ? -9.483 13.323 5.840 1.00 35.95 ? 570 ASN A CA 1 ATOM 4558 C C . ASN A 1 570 ? -9.329 14.779 6.179 1.00 37.08 ? 570 ASN A C 1 ATOM 4559 O O . ASN A 1 570 ? -10.016 15.290 7.060 1.00 37.76 ? 570 ASN A O 1 ATOM 4560 C CB . ASN A 1 570 ? -10.888 13.082 5.300 1.00 34.79 ? 570 ASN A CB 1 ATOM 4561 C CG . ASN A 1 570 ? -11.060 11.706 4.679 1.00 37.21 ? 570 ASN A CG 1 ATOM 4562 O OD1 . ASN A 1 570 ? -10.494 11.370 3.616 1.00 41.51 ? 570 ASN A OD1 1 ATOM 4563 N ND2 . ASN A 1 570 ? -11.880 10.917 5.300 1.00 37.54 ? 570 ASN A ND2 1 ATOM 4564 N N . ASN A 1 571 ? -8.430 15.443 5.478 1.00 39.56 ? 571 ASN A N 1 ATOM 4565 C CA . ASN A 1 571 ? -8.214 16.879 5.675 1.00 48.22 ? 571 ASN A CA 1 ATOM 4566 C C . ASN A 1 571 ? -9.031 17.630 4.653 1.00 45.46 ? 571 ASN A C 1 ATOM 4567 O O . ASN A 1 571 ? -9.025 17.306 3.468 1.00 47.32 ? 571 ASN A O 1 ATOM 4568 C CB . ASN A 1 571 ? -6.729 17.200 5.556 1.00 53.87 ? 571 ASN A CB 1 ATOM 4569 C CG . ASN A 1 571 ? -5.906 16.323 6.468 1.00 65.54 ? 571 ASN A CG 1 ATOM 4570 O OD1 . ASN A 1 571 ? -6.184 16.238 7.679 1.00 64.62 ? 571 ASN A OD1 1 ATOM 4571 N ND2 . ASN A 1 571 ? -4.933 15.609 5.896 1.00 72.18 ? 571 ASN A ND2 1 ATOM 4572 N N . TYR A 1 572 ? -9.779 18.595 5.143 1.00 47.51 ? 572 TYR A N 1 ATOM 4573 C CA . TYR A 1 572 ? -10.557 19.449 4.312 1.00 47.01 ? 572 TYR A CA 1 ATOM 4574 C C . TYR A 1 572 ? -9.599 20.519 3.791 1.00 52.35 ? 572 TYR A C 1 ATOM 4575 O O . TYR A 1 572 ? -8.742 20.949 4.554 1.00 57.10 ? 572 TYR A O 1 ATOM 4576 C CB . TYR A 1 572 ? -11.661 20.096 5.144 1.00 43.25 ? 572 TYR A CB 1 ATOM 4577 C CG . TYR A 1 572 ? -12.554 21.013 4.315 1.00 45.75 ? 572 TYR A CG 1 ATOM 4578 C CD1 . TYR A 1 572 ? -13.621 20.491 3.600 1.00 43.48 ? 572 TYR A CD1 1 ATOM 4579 C CD2 . TYR A 1 572 ? -12.307 22.396 4.217 1.00 45.71 ? 572 TYR A CD2 1 ATOM 4580 C CE1 . TYR A 1 572 ? -14.426 21.296 2.820 1.00 48.91 ? 572 TYR A CE1 1 ATOM 4581 C CE2 . TYR A 1 572 ? -13.135 23.222 3.468 1.00 44.62 ? 572 TYR A CE2 1 ATOM 4582 C CZ . TYR A 1 572 ? -14.194 22.671 2.761 1.00 50.40 ? 572 TYR A CZ 1 ATOM 4583 O OH . TYR A 1 572 ? -15.029 23.444 1.961 1.00 54.23 ? 572 TYR A OH 1 ATOM 4584 N N . PRO A 1 573 ? -9.728 20.988 2.542 1.00 57.79 ? 573 PRO A N 1 ATOM 4585 C CA . PRO A 1 573 ? -10.725 20.538 1.586 1.00 53.77 ? 573 PRO A CA 1 ATOM 4586 C C . PRO A 1 573 ? -10.183 19.488 0.634 1.00 51.27 ? 573 PRO A C 1 ATOM 4587 O O . PRO A 1 573 ? -10.932 18.977 -0.180 1.00 46.95 ? 573 PRO A O 1 ATOM 4588 C CB . PRO A 1 573 ? -11.065 21.837 0.831 1.00 56.29 ? 573 PRO A CB 1 ATOM 4589 C CG . PRO A 1 573 ? -9.881 22.736 1.003 1.00 54.63 ? 573 PRO A CG 1 ATOM 4590 C CD . PRO A 1 573 ? -8.927 22.087 1.964 1.00 55.52 ? 573 PRO A CD 1 ATOM 4591 N N . HIS A 1 574 ? -8.901 19.151 0.744 1.00 56.42 ? 574 HIS A N 1 ATOM 4592 C CA . HIS A 1 574 ? -8.224 18.409 -0.303 1.00 51.63 ? 574 HIS A CA 1 ATOM 4593 C C . HIS A 1 574 ? -8.817 17.035 -0.497 1.00 45.85 ? 574 HIS A C 1 ATOM 4594 O O . HIS A 1 574 ? -8.945 16.582 -1.613 1.00 43.65 ? 574 HIS A O 1 ATOM 4595 C CB . HIS A 1 574 ? -6.731 18.282 -0.015 1.00 59.67 ? 574 HIS A CB 1 ATOM 4596 C CG . HIS A 1 574 ? -6.030 17.383 -0.983 1.00 66.73 ? 574 HIS A CG 1 ATOM 4597 N ND1 . HIS A 1 574 ? -5.955 16.019 -0.799 1.00 66.37 ? 574 HIS A ND1 1 ATOM 4598 C CD2 . HIS A 1 574 ? -5.440 17.638 -2.176 1.00 69.84 ? 574 HIS A CD2 1 ATOM 4599 C CE1 . HIS A 1 574 ? -5.312 15.476 -1.816 1.00 68.67 ? 574 HIS A CE1 1 ATOM 4600 N NE2 . HIS A 1 574 ? -4.992 16.436 -2.667 1.00 73.50 ? 574 HIS A NE2 1 ATOM 4601 N N . ASP A 1 575 ? -9.210 16.374 0.579 1.00 42.54 ? 575 ASP A N 1 ATOM 4602 C CA . ASP A 1 575 ? -9.790 15.008 0.458 1.00 43.87 ? 575 ASP A CA 1 ATOM 4603 C C . ASP A 1 575 ? -11.326 14.986 0.293 1.00 37.11 ? 575 ASP A C 1 ATOM 4604 O O . ASP A 1 575 ? -11.913 13.923 0.266 1.00 33.99 ? 575 ASP A O 1 ATOM 4605 C CB . ASP A 1 575 ? -9.376 14.146 1.668 1.00 46.67 ? 575 ASP A CB 1 ATOM 4606 C CG . ASP A 1 575 ? -7.895 14.208 1.919 1.00 48.89 ? 575 ASP A CG 1 ATOM 4607 O OD1 . ASP A 1 575 ? -7.113 13.991 0.956 1.00 50.86 ? 575 ASP A OD1 1 ATOM 4608 O OD2 . ASP A 1 575 ? -7.525 14.534 3.053 1.00 51.93 ? 575 ASP A OD2 1 ATOM 4609 N N . PHE A 1 576 ? -11.960 16.146 0.140 1.00 31.72 ? 576 PHE A N 1 ATOM 4610 C CA . PHE A 1 576 ? -13.398 16.205 0.091 1.00 32.20 ? 576 PHE A CA 1 ATOM 4611 C C . PHE A 1 576 ? -13.872 16.450 -1.349 1.00 36.46 ? 576 PHE A C 1 ATOM 4612 O O . PHE A 1 576 ? -13.203 17.117 -2.120 1.00 35.68 ? 576 PHE A O 1 ATOM 4613 C CB . PHE A 1 576 ? -13.910 17.291 1.048 1.00 31.55 ? 576 PHE A CB 1 ATOM 4614 C CG . PHE A 1 576 ? -13.924 16.877 2.501 1.00 29.57 ? 576 PHE A CG 1 ATOM 4615 C CD1 . PHE A 1 576 ? -12.753 16.490 3.142 1.00 32.37 ? 576 PHE A CD1 1 ATOM 4616 C CD2 . PHE A 1 576 ? -15.095 16.869 3.220 1.00 31.60 ? 576 PHE A CD2 1 ATOM 4617 C CE1 . PHE A 1 576 ? -12.748 16.151 4.501 1.00 33.05 ? 576 PHE A CE1 1 ATOM 4618 C CE2 . PHE A 1 576 ? -15.116 16.480 4.564 1.00 32.80 ? 576 PHE A CE2 1 ATOM 4619 C CZ . PHE A 1 576 ? -13.940 16.122 5.209 1.00 31.97 ? 576 PHE A CZ 1 ATOM 4620 N N . VAL A 1 577 ? -15.037 15.908 -1.661 1.00 35.71 ? 577 VAL A N 1 ATOM 4621 C CA . VAL A 1 577 ? -15.746 16.111 -2.916 1.00 37.50 ? 577 VAL A CA 1 ATOM 4622 C C . VAL A 1 577 ? -17.178 16.535 -2.566 1.00 35.68 ? 577 VAL A C 1 ATOM 4623 O O . VAL A 1 577 ? -17.503 16.647 -1.385 1.00 35.88 ? 577 VAL A O 1 ATOM 4624 C CB . VAL A 1 577 ? -15.773 14.810 -3.743 1.00 38.43 ? 577 VAL A CB 1 ATOM 4625 C CG1 . VAL A 1 577 ? -14.370 14.481 -4.235 1.00 41.65 ? 577 VAL A CG1 1 ATOM 4626 C CG2 . VAL A 1 577 ? -16.368 13.629 -2.972 1.00 37.58 ? 577 VAL A CG2 1 ATOM 4627 N N . ASP A 1 578 ? -18.056 16.757 -3.543 1.00 34.31 ? 578 ASP A N 1 ATOM 4628 C CA . ASP A 1 578 ? -19.427 17.006 -3.152 1.00 36.10 ? 578 ASP A CA 1 ATOM 4629 C C . ASP A 1 578 ? -20.270 15.781 -3.400 1.00 33.29 ? 578 ASP A C 1 ATOM 4630 O O . ASP A 1 578 ? -19.860 14.890 -4.099 1.00 35.57 ? 578 ASP A O 1 ATOM 4631 C CB . ASP A 1 578 ? -20.011 18.313 -3.719 1.00 41.21 ? 578 ASP A CB 1 ATOM 4632 C CG . ASP A 1 578 ? -20.542 18.161 -5.109 1.00 41.38 ? 578 ASP A CG 1 ATOM 4633 O OD1 . ASP A 1 578 ? -21.766 17.857 -5.241 1.00 46.29 ? 578 ASP A OD1 1 ATOM 4634 O OD2 . ASP A 1 578 ? -19.721 18.347 -6.026 1.00 44.00 ? 578 ASP A OD2 1 ATOM 4635 N N . CYS A 1 579 ? -21.429 15.742 -2.767 1.00 31.10 ? 579 CYS A N 1 ATOM 4636 C CA . CYS A 1 579 ? -22.329 14.622 -2.816 1.00 32.58 ? 579 CYS A CA 1 ATOM 4637 C C . CYS A 1 579 ? -22.711 14.115 -4.210 1.00 34.81 ? 579 CYS A C 1 ATOM 4638 O O . CYS A 1 579 ? -23.018 12.927 -4.364 1.00 32.75 ? 579 CYS A O 1 ATOM 4639 C CB . CYS A 1 579 ? -23.593 14.959 -2.019 1.00 32.45 ? 579 CYS A CB 1 ATOM 4640 S SG . CYS A 1 579 ? -23.211 14.977 -0.234 1.00 38.57 ? 579 CYS A SG 1 ATOM 4641 N N . SER A 1 580 ? -22.696 14.989 -5.212 1.00 32.36 ? 580 SER A N 1 ATOM 4642 C CA . SER A 1 580 ? -22.921 14.544 -6.605 1.00 34.78 ? 580 SER A CA 1 ATOM 4643 C C . SER A 1 580 ? -21.802 13.684 -7.207 1.00 37.17 ? 580 SER A C 1 ATOM 4644 O O . SER A 1 580 ? -21.957 13.194 -8.314 1.00 40.68 ? 580 SER A O 1 ATOM 4645 C CB . SER A 1 580 ? -23.228 15.758 -7.533 1.00 33.71 ? 580 SER A CB 1 ATOM 4646 O OG . SER A 1 580 ? -22.021 16.450 -7.839 1.00 32.12 ? 580 SER A OG 1 ATOM 4647 N N . THR A 1 581 ? -20.684 13.468 -6.504 1.00 39.58 ? 581 THR A N 1 ATOM 4648 C CA . THR A 1 581 ? -19.678 12.528 -6.965 1.00 38.79 ? 581 THR A CA 1 ATOM 4649 C C . THR A 1 581 ? -19.734 11.139 -6.260 1.00 41.01 ? 581 THR A C 1 ATOM 4650 O O . THR A 1 581 ? -18.889 10.271 -6.520 1.00 39.73 ? 581 THR A O 1 ATOM 4651 C CB . THR A 1 581 ? -18.293 13.166 -6.836 1.00 43.51 ? 581 THR A CB 1 ATOM 4652 O OG1 . THR A 1 581 ? -17.444 12.744 -7.904 1.00 59.86 ? 581 THR A OG1 1 ATOM 4653 C CG2 . THR A 1 581 ? -17.634 12.788 -5.618 1.00 51.14 ? 581 THR A CG2 1 ATOM 4654 N N . VAL A 1 582 ? -20.732 10.928 -5.403 1.00 36.73 ? 582 VAL A N 1 ATOM 4655 C CA . VAL A 1 582 ? -20.796 9.754 -4.516 1.00 34.47 ? 582 VAL A CA 1 ATOM 4656 C C . VAL A 1 582 ? -21.978 8.929 -4.963 1.00 34.93 ? 582 VAL A C 1 ATOM 4657 O O . VAL A 1 582 ? -23.079 9.455 -5.100 1.00 34.61 ? 582 VAL A O 1 ATOM 4658 C CB . VAL A 1 582 ? -21.035 10.205 -3.069 1.00 34.53 ? 582 VAL A CB 1 ATOM 4659 C CG1 . VAL A 1 582 ? -21.268 9.017 -2.141 1.00 36.35 ? 582 VAL A CG1 1 ATOM 4660 C CG2 . VAL A 1 582 ? -19.869 11.073 -2.616 1.00 33.32 ? 582 VAL A CG2 1 ATOM 4661 N N . ASP A 1 583 ? -21.733 7.641 -5.205 1.00 38.09 ? 583 ASP A N 1 ATOM 4662 C CA . ASP A 1 583 ? -22.738 6.704 -5.669 1.00 39.22 ? 583 ASP A CA 1 ATOM 4663 C C . ASP A 1 583 ? -23.946 6.664 -4.773 1.00 39.07 ? 583 ASP A C 1 ATOM 4664 O O . ASP A 1 583 ? -23.818 6.824 -3.575 1.00 38.14 ? 583 ASP A O 1 ATOM 4665 C CB . ASP A 1 583 ? -22.132 5.296 -5.745 1.00 43.61 ? 583 ASP A CB 1 ATOM 4666 C CG . ASP A 1 583 ? -21.362 5.064 -7.037 1.00 53.39 ? 583 ASP A CG 1 ATOM 4667 O OD1 . ASP A 1 583 ? -21.339 5.981 -7.894 1.00 56.22 ? 583 ASP A OD1 1 ATOM 4668 O OD2 . ASP A 1 583 ? -20.785 3.970 -7.216 1.00 54.20 ? 583 ASP A OD2 1 ATOM 4669 N N . LYS A 1 584 ? -25.109 6.485 -5.384 1.00 39.23 ? 584 LYS A N 1 ATOM 4670 C CA . LYS A 1 584 ? -26.366 6.348 -4.692 1.00 42.21 ? 584 LYS A CA 1 ATOM 4671 C C . LYS A 1 584 ? -26.811 4.881 -4.673 1.00 43.35 ? 584 LYS A C 1 ATOM 4672 O O . LYS A 1 584 ? -26.420 4.062 -5.506 1.00 42.83 ? 584 LYS A O 1 ATOM 4673 C CB . LYS A 1 584 ? -27.431 7.193 -5.355 1.00 44.20 ? 584 LYS A CB 1 ATOM 4674 C CG . LYS A 1 584 ? -27.168 8.688 -5.337 1.00 49.20 ? 584 LYS A CG 1 ATOM 4675 C CD . LYS A 1 584 ? -28.156 9.450 -6.229 1.00 53.70 ? 584 LYS A CD 1 ATOM 4676 C CE . LYS A 1 584 ? -28.028 10.967 -6.089 1.00 60.71 ? 584 LYS A CE 1 ATOM 4677 N NZ . LYS A 1 584 ? -28.123 11.676 -7.398 1.00 60.47 ? 584 LYS A NZ 1 ATOM 4678 N N . LEU A 1 585 ? -27.590 4.566 -3.650 1.00 40.60 ? 585 LEU A N 1 ATOM 4679 C CA . LEU A 1 585 ? -28.322 3.327 -3.579 1.00 39.76 ? 585 LEU A CA 1 ATOM 4680 C C . LEU A 1 585 ? -29.435 3.382 -4.628 1.00 35.86 ? 585 LEU A C 1 ATOM 4681 O O . LEU A 1 585 ? -30.342 4.212 -4.543 1.00 36.43 ? 585 LEU A O 1 ATOM 4682 C CB . LEU A 1 585 ? -28.917 3.124 -2.191 1.00 38.57 ? 585 LEU A CB 1 ATOM 4683 C CG . LEU A 1 585 ? -29.735 1.871 -1.968 1.00 38.03 ? 585 LEU A CG 1 ATOM 4684 C CD1 . LEU A 1 585 ? -28.924 0.606 -2.226 1.00 38.46 ? 585 LEU A CD1 1 ATOM 4685 C CD2 . LEU A 1 585 ? -30.281 1.877 -0.549 1.00 43.19 ? 585 LEU A CD2 1 ATOM 4686 N N . ASP A 1 586 ? -29.329 2.509 -5.612 1.00 32.93 ? 586 ASP A N 1 ATOM 4687 C CA . ASP A 1 586 ? -30.302 2.413 -6.705 1.00 32.15 ? 586 ASP A CA 1 ATOM 4688 C C . ASP A 1 586 ? -31.317 1.427 -6.228 1.00 28.74 ? 586 ASP A C 1 ATOM 4689 O O . ASP A 1 586 ? -30.984 0.244 -6.099 1.00 33.94 ? 586 ASP A O 1 ATOM 4690 C CB . ASP A 1 586 ? -29.594 1.903 -7.981 1.00 38.12 ? 586 ASP A CB 1 ATOM 4691 C CG . ASP A 1 586 ? -30.581 1.385 -9.075 1.00 38.42 ? 586 ASP A CG 1 ATOM 4692 O OD1 . ASP A 1 586 ? -31.786 1.644 -8.968 1.00 38.81 ? 586 ASP A OD1 1 ATOM 4693 O OD2 . ASP A 1 586 ? -30.138 0.681 -10.006 1.00 44.88 ? 586 ASP A OD2 1 ATOM 4694 N N . LEU A 1 587 ? -32.531 1.874 -5.918 1.00 27.70 ? 587 LEU A N 1 ATOM 4695 C CA . LEU A 1 587 ? -33.581 0.995 -5.403 1.00 29.89 ? 587 LEU A CA 1 ATOM 4696 C C . LEU A 1 587 ? -34.446 0.284 -6.502 1.00 33.14 ? 587 LEU A C 1 ATOM 4697 O O . LEU A 1 587 ? -35.336 -0.474 -6.177 1.00 32.42 ? 587 LEU A O 1 ATOM 4698 C CB . LEU A 1 587 ? -34.492 1.734 -4.452 1.00 31.43 ? 587 LEU A CB 1 ATOM 4699 C CG . LEU A 1 587 ? -33.893 1.987 -3.084 1.00 37.15 ? 587 LEU A CG 1 ATOM 4700 C CD1 . LEU A 1 587 ? -34.541 3.200 -2.457 1.00 39.12 ? 587 LEU A CD1 1 ATOM 4701 C CD2 . LEU A 1 587 ? -33.991 0.778 -2.186 1.00 36.69 ? 587 LEU A CD2 1 ATOM 4702 N N . SER A 1 588 ? -34.139 0.470 -7.772 1.00 37.55 ? 588 SER A N 1 ATOM 4703 C CA . SER A 1 588 ? -34.838 -0.225 -8.865 1.00 35.47 ? 588 SER A CA 1 ATOM 4704 C C . SER A 1 588 ? -35.044 -1.702 -8.609 1.00 34.02 ? 588 SER A C 1 ATOM 4705 O O . SER A 1 588 ? -36.168 -2.201 -8.841 1.00 32.92 ? 588 SER A O 1 ATOM 4706 C CB . SER A 1 588 ? -34.044 -0.067 -10.179 1.00 36.01 ? 588 SER A CB 1 ATOM 4707 O OG . SER A 1 588 ? -33.981 1.298 -10.487 1.00 47.87 ? 588 SER A OG 1 ATOM 4708 N N . PRO A 1 589 ? -33.984 -2.409 -8.111 1.00 29.52 ? 589 PRO A N 1 ATOM 4709 C CA . PRO A 1 589 ? -34.155 -3.840 -7.904 1.00 32.15 ? 589 PRO A CA 1 ATOM 4710 C C . PRO A 1 589 ? -35.186 -4.307 -6.854 1.00 33.05 ? 589 PRO A C 1 ATOM 4711 O O . PRO A 1 589 ? -35.417 -5.522 -6.756 1.00 32.69 ? 589 PRO A O 1 ATOM 4712 C CB . PRO A 1 589 ? -32.727 -4.316 -7.558 1.00 31.28 ? 589 PRO A CB 1 ATOM 4713 C CG . PRO A 1 589 ? -31.858 -3.305 -8.165 1.00 28.90 ? 589 PRO A CG 1 ATOM 4714 C CD . PRO A 1 589 ? -32.573 -2.034 -7.936 1.00 27.92 ? 589 PRO A CD 1 ATOM 4715 N N . TRP A 1 590 ? -35.812 -3.386 -6.128 1.00 32.06 ? 590 TRP A N 1 ATOM 4716 C CA . TRP A 1 590 ? -36.905 -3.708 -5.198 1.00 35.57 ? 590 TRP A CA 1 ATOM 4717 C C . TRP A 1 590 ? -38.294 -3.400 -5.772 1.00 42.91 ? 590 TRP A C 1 ATOM 4718 O O . TRP A 1 590 ? -39.308 -3.523 -5.032 1.00 39.37 ? 590 TRP A O 1 ATOM 4719 C CB . TRP A 1 590 ? -36.769 -2.897 -3.889 1.00 36.28 ? 590 TRP A CB 1 ATOM 4720 C CG . TRP A 1 590 ? -35.728 -3.377 -2.933 1.00 32.02 ? 590 TRP A CG 1 ATOM 4721 C CD1 . TRP A 1 590 ? -35.936 -4.052 -1.750 1.00 32.79 ? 590 TRP A CD1 1 ATOM 4722 C CD2 . TRP A 1 590 ? -34.329 -3.237 -3.072 1.00 30.30 ? 590 TRP A CD2 1 ATOM 4723 N NE1 . TRP A 1 590 ? -34.725 -4.363 -1.140 1.00 31.16 ? 590 TRP A NE1 1 ATOM 4724 C CE2 . TRP A 1 590 ? -33.720 -3.839 -1.912 1.00 32.62 ? 590 TRP A CE2 1 ATOM 4725 C CE3 . TRP A 1 590 ? -33.515 -2.666 -4.034 1.00 28.86 ? 590 TRP A CE3 1 ATOM 4726 C CZ2 . TRP A 1 590 ? -32.343 -3.890 -1.733 1.00 29.61 ? 590 TRP A CZ2 1 ATOM 4727 C CZ3 . TRP A 1 590 ? -32.126 -2.690 -3.826 1.00 29.98 ? 590 TRP A CZ3 1 ATOM 4728 C CH2 . TRP A 1 590 ? -31.565 -3.305 -2.691 1.00 29.92 ? 590 TRP A CH2 1 ATOM 4729 N N . ALA A 1 591 ? -38.350 -2.944 -7.031 1.00 41.63 ? 591 ALA A N 1 ATOM 4730 C CA . ALA A 1 591 ? -39.643 -2.731 -7.705 1.00 49.54 ? 591 ALA A CA 1 ATOM 4731 C C . ALA A 1 591 ? -40.241 -4.110 -7.929 1.00 49.48 ? 591 ALA A C 1 ATOM 4732 O O . ALA A 1 591 ? -39.621 -4.944 -8.598 1.00 46.24 ? 591 ALA A O 1 ATOM 4733 C CB . ALA A 1 591 ? -39.473 -1.996 -9.041 1.00 47.49 ? 591 ALA A CB 1 ATOM 4734 N N . SER A 1 592 ? -41.385 -4.373 -7.306 1.00 52.17 ? 592 SER A N 1 ATOM 4735 C CA . SER A 1 592 ? -42.088 -5.640 -7.491 1.00 63.61 ? 592 SER A CA 1 ATOM 4736 C C . SER A 1 592 ? -43.455 -5.394 -8.157 1.00 72.44 ? 592 SER A C 1 ATOM 4737 O O . SER A 1 592 ? -44.231 -4.542 -7.705 1.00 71.00 ? 592 SER A O 1 ATOM 4738 C CB . SER A 1 592 ? -42.229 -6.403 -6.159 1.00 65.00 ? 592 SER A CB 1 ATOM 4739 O OG . SER A 1 592 ? -43.325 -5.957 -5.389 1.00 66.42 ? 592 SER A OG 1 ATOM 4740 N N . ARG A 1 593 ? -43.719 -6.134 -9.238 1.00 83.34 ? 593 ARG A N 1 ATOM 4741 C CA . ARG A 1 593 ? -45.005 -6.102 -9.954 1.00 94.21 ? 593 ARG A CA 1 ATOM 4742 C C . ARG A 1 593 ? -45.863 -7.316 -9.591 1.00 104.31 ? 593 ARG A C 1 ATOM 4743 O O . ARG A 1 593 ? -45.652 -8.399 -10.149 1.00 111.94 ? 593 ARG A O 1 ATOM 4744 C CB . ARG A 1 593 ? -44.763 -6.079 -11.467 1.00 92.97 ? 593 ARG A CB 1 ATOM 4745 C CG . ARG A 1 593 ? -44.707 -4.686 -12.055 1.00 99.96 ? 593 ARG A CG 1 ATOM 4746 C CD . ARG A 1 593 ? -46.087 -4.223 -12.505 1.00 103.20 ? 593 ARG A CD 1 ATOM 4747 N NE . ARG A 1 593 ? -46.120 -2.775 -12.704 1.00 107.26 ? 593 ARG A NE 1 ATOM 4748 C CZ . ARG A 1 593 ? -45.572 -2.112 -13.728 1.00 104.58 ? 593 ARG A CZ 1 ATOM 4749 N NH1 . ARG A 1 593 ? -44.922 -2.741 -14.710 1.00 98.70 ? 593 ARG A NH1 1 ATOM 4750 N NH2 . ARG A 1 593 ? -45.675 -0.788 -13.769 1.00 109.06 ? 593 ARG A NH2 1 ATOM 4751 N N . GLU A 1 594 ? -46.808 -7.137 -8.656 1.00 110.41 ? 594 GLU A N 1 ATOM 4752 C CA . GLU A 1 594 ? -47.813 -8.173 -8.320 1.00 114.02 ? 594 GLU A CA 1 ATOM 4753 C C . GLU A 1 594 ? -49.039 -8.110 -9.259 1.00 130.34 ? 594 GLU A C 1 ATOM 4754 O O . GLU A 1 594 ? -50.161 -7.816 -8.829 1.00 142.12 ? 594 GLU A O 1 ATOM 4755 C CB . GLU A 1 594 ? -48.250 -8.064 -6.851 1.00 102.75 ? 594 GLU A CB 1 ATOM 4756 C CG . GLU A 1 594 ? -47.180 -8.465 -5.853 1.00 96.62 ? 594 GLU A CG 1 ATOM 4757 C CD . GLU A 1 594 ? -46.559 -7.279 -5.145 1.00 91.35 ? 594 GLU A CD 1 ATOM 4758 O OE1 . GLU A 1 594 ? -46.738 -7.154 -3.919 1.00 69.80 ? 594 GLU A OE1 1 ATOM 4759 O OE2 . GLU A 1 594 ? -45.906 -6.461 -5.820 1.00 96.59 ? 594 GLU A OE2 1 ATOM 4760 N N . ASN A 1 595 ? -48.805 -8.423 -10.535 1.00 139.85 ? 595 ASN A N 1 ATOM 4761 C CA . ASN A 1 595 ? -49.780 -8.207 -11.616 1.00 137.25 ? 595 ASN A CA 1 ATOM 4762 C C . ASN A 1 595 ? -51.059 -9.035 -11.443 1.00 133.95 ? 595 ASN A C 1 ATOM 4763 O O . ASN A 1 595 ? -51.061 -10.249 -11.635 1.00 128.67 ? 595 ASN A O 1 ATOM 4764 C CB . ASN A 1 595 ? -49.122 -8.512 -12.973 1.00 137.22 ? 595 ASN A CB 1 ATOM 4765 C CG . ASN A 1 595 ? -50.055 -8.278 -14.148 1.00 134.98 ? 595 ASN A CG 1 ATOM 4766 O OD1 . ASN A 1 595 ? -50.519 -9.227 -14.782 1.00 128.41 ? 595 ASN A OD1 1 ATOM 4767 N ND2 . ASN A 1 595 ? -50.340 -7.012 -14.438 1.00 135.21 ? 595 ASN A ND2 1 HETATM 4768 S S . SO4 B 2 . ? -2.671 2.538 8.796 1.00 32.61 ? 801 SO4 A S 1 HETATM 4769 O O1 . SO4 B 2 . ? -1.870 2.370 7.553 1.00 35.19 ? 801 SO4 A O1 1 HETATM 4770 O O2 . SO4 B 2 . ? -3.918 1.818 8.543 1.00 32.71 ? 801 SO4 A O2 1 HETATM 4771 O O3 . SO4 B 2 . ? -2.857 3.955 9.145 1.00 35.53 ? 801 SO4 A O3 1 HETATM 4772 O O4 . SO4 B 2 . ? -2.062 1.922 9.949 1.00 34.29 ? 801 SO4 A O4 1 HETATM 4773 O O . OSM C 3 . ? -39.961 -10.864 18.077 1.00 29.21 ? 802 OSM A O 1 HETATM 4774 S S . OSM C 3 . ? -40.986 -10.775 17.118 1.00 22.20 ? 802 OSM A S 1 HETATM 4775 C C . OSM C 3 . ? -41.533 -9.659 16.114 1.00 19.92 ? 802 OSM A C 1 HETATM 4776 N N . OSM C 3 . ? -41.317 -10.393 15.036 1.00 15.34 ? 802 OSM A N 1 HETATM 4777 I I . IOD D 4 . ? -16.085 -15.965 27.827 0.80 23.80 ? 803 IOD A I 1 HETATM 4778 I I . IOD E 4 . ? 2.556 -11.969 20.134 0.65 41.56 ? 804 IOD A I 1 HETATM 4779 I I . IOD F 4 . ? 3.415 -15.563 20.084 0.60 72.11 ? 805 IOD A I 1 HETATM 4780 C C1 . PGE G 5 . ? -50.220 -4.912 16.788 1.00 41.28 ? 806 PGE A C1 1 HETATM 4781 O O1 . PGE G 5 . ? -50.523 -6.287 16.432 1.00 43.38 ? 806 PGE A O1 1 HETATM 4782 C C2 . PGE G 5 . ? -49.246 -4.199 15.843 1.00 43.45 ? 806 PGE A C2 1 HETATM 4783 O O2 . PGE G 5 . ? -47.977 -3.869 16.469 1.00 45.44 ? 806 PGE A O2 1 HETATM 4784 C C3 . PGE G 5 . ? -46.924 -3.819 15.505 1.00 42.68 ? 806 PGE A C3 1 HETATM 4785 C C4 . PGE G 5 . ? -45.558 -3.478 16.048 1.00 38.71 ? 806 PGE A C4 1 HETATM 4786 O O4 . PGE G 5 . ? -44.036 -7.171 17.147 1.00 39.13 ? 806 PGE A O4 1 HETATM 4787 C C6 . PGE G 5 . ? -43.414 -5.962 17.568 1.00 43.51 ? 806 PGE A C6 1 HETATM 4788 C C5 . PGE G 5 . ? -43.683 -4.872 16.574 1.00 38.53 ? 806 PGE A C5 1 HETATM 4789 O O3 . PGE G 5 . ? -45.053 -4.612 16.738 1.00 40.65 ? 806 PGE A O3 1 HETATM 4790 C C1 . PGE H 5 . ? 4.762 -19.586 26.190 1.00 42.70 ? 807 PGE A C1 1 HETATM 4791 O O1 . PGE H 5 . ? 3.973 -20.578 25.508 1.00 33.57 ? 807 PGE A O1 1 HETATM 4792 C C2 . PGE H 5 . ? 6.284 -19.645 26.136 1.00 47.93 ? 807 PGE A C2 1 HETATM 4793 O O2 . PGE H 5 . ? 6.887 -18.338 25.910 1.00 51.46 ? 807 PGE A O2 1 HETATM 4794 C C3 . PGE H 5 . ? 6.614 -17.232 26.777 1.00 49.18 ? 807 PGE A C3 1 HETATM 4795 C C4 . PGE H 5 . ? 7.512 -16.052 26.425 1.00 48.79 ? 807 PGE A C4 1 HETATM 4796 O O4 . PGE H 5 . ? 6.837 -13.967 22.194 1.00 52.68 ? 807 PGE A O4 1 HETATM 4797 C C6 . PGE H 5 . ? 6.992 -13.681 23.591 1.00 46.49 ? 807 PGE A C6 1 HETATM 4798 C C5 . PGE H 5 . ? 7.522 -14.851 24.391 1.00 49.70 ? 807 PGE A C5 1 HETATM 4799 O O3 . PGE H 5 . ? 6.881 -15.011 25.680 1.00 49.48 ? 807 PGE A O3 1 HETATM 4800 C C1 . NAG I 6 . ? -4.623 4.853 5.902 1.00 48.58 ? 808 NAG A C1 1 HETATM 4801 C C2 . NAG I 6 . ? -3.415 4.702 4.960 1.00 50.68 ? 808 NAG A C2 1 HETATM 4802 C C3 . NAG I 6 . ? -3.763 3.980 3.650 1.00 49.96 ? 808 NAG A C3 1 HETATM 4803 C C4 . NAG I 6 . ? -4.418 2.627 3.910 1.00 53.73 ? 808 NAG A C4 1 HETATM 4804 C C5 . NAG I 6 . ? -5.591 2.893 4.839 1.00 56.24 ? 808 NAG A C5 1 HETATM 4805 C C6 . NAG I 6 . ? -6.239 1.619 5.293 1.00 57.20 ? 808 NAG A C6 1 HETATM 4806 C C7 . NAG I 6 . ? -1.546 6.288 4.991 1.00 58.17 ? 808 NAG A C7 1 HETATM 4807 C C8 . NAG I 6 . ? -1.062 7.667 4.668 1.00 59.88 ? 808 NAG A C8 1 HETATM 4808 N N2 . NAG I 6 . ? -2.831 6.015 4.706 1.00 53.59 ? 808 NAG A N2 1 HETATM 4809 O O3 . NAG I 6 . ? -2.606 3.728 2.844 1.00 55.97 ? 808 NAG A O3 1 HETATM 4810 O O4 . NAG I 6 . ? -4.885 1.958 2.709 1.00 50.95 ? 808 NAG A O4 1 HETATM 4811 O O5 . NAG I 6 . ? -5.227 3.559 6.059 1.00 49.63 ? 808 NAG A O5 1 HETATM 4812 O O6 . NAG I 6 . ? -7.486 2.133 5.677 1.00 66.21 ? 808 NAG A O6 1 HETATM 4813 O O7 . NAG I 6 . ? -0.782 5.477 5.484 1.00 56.39 ? 808 NAG A O7 1 HETATM 4814 C C1 . NAG J 6 . ? -46.666 9.355 11.629 1.00 46.57 ? 809 NAG A C1 1 HETATM 4815 C C2 . NAG J 6 . ? -46.201 10.638 12.300 1.00 44.10 ? 809 NAG A C2 1 HETATM 4816 C C3 . NAG J 6 . ? -47.159 11.789 11.976 1.00 49.10 ? 809 NAG A C3 1 HETATM 4817 C C4 . NAG J 6 . ? -47.553 11.877 10.480 1.00 53.00 ? 809 NAG A C4 1 HETATM 4818 C C5 . NAG J 6 . ? -47.998 10.493 10.015 1.00 53.76 ? 809 NAG A C5 1 HETATM 4819 C C6 . NAG J 6 . ? -48.466 10.408 8.562 1.00 56.40 ? 809 NAG A C6 1 HETATM 4820 C C7 . NAG J 6 . ? -44.981 10.233 14.401 1.00 43.51 ? 809 NAG A C7 1 HETATM 4821 C C8 . NAG J 6 . ? -45.142 10.083 15.869 1.00 39.99 ? 809 NAG A C8 1 HETATM 4822 N N2 . NAG J 6 . ? -46.142 10.451 13.744 1.00 41.06 ? 809 NAG A N2 1 HETATM 4823 O O3 . NAG J 6 . ? -46.523 12.955 12.484 1.00 49.03 ? 809 NAG A O3 1 HETATM 4824 O O4 . NAG J 6 . ? -48.584 12.854 10.232 1.00 53.87 ? 809 NAG A O4 1 HETATM 4825 O O5 . NAG J 6 . ? -46.871 9.605 10.232 1.00 51.55 ? 809 NAG A O5 1 HETATM 4826 O O6 . NAG J 6 . ? -47.345 10.260 7.690 1.00 66.96 ? 809 NAG A O6 1 HETATM 4827 O O7 . NAG J 6 . ? -43.849 10.187 13.888 1.00 38.26 ? 809 NAG A O7 1 HETATM 4828 C C1 . NAG K 6 . ? -28.660 25.292 29.237 1.00 41.55 ? 810 NAG A C1 1 HETATM 4829 C C2 . NAG K 6 . ? -27.349 26.071 29.071 1.00 44.76 ? 810 NAG A C2 1 HETATM 4830 C C3 . NAG K 6 . ? -27.561 27.475 28.487 1.00 47.44 ? 810 NAG A C3 1 HETATM 4831 C C4 . NAG K 6 . ? -28.458 27.438 27.273 1.00 50.96 ? 810 NAG A C4 1 HETATM 4832 C C5 . NAG K 6 . ? -29.736 26.654 27.643 1.00 48.90 ? 810 NAG A C5 1 HETATM 4833 C C6 . NAG K 6 . ? -30.806 26.551 26.554 1.00 47.41 ? 810 NAG A C6 1 HETATM 4834 C C7 . NAG K 6 . ? -25.749 25.274 30.739 1.00 38.11 ? 810 NAG A C7 1 HETATM 4835 C C8 . NAG K 6 . ? -24.974 25.577 31.995 1.00 40.51 ? 810 NAG A C8 1 HETATM 4836 N N2 . NAG K 6 . ? -26.571 26.213 30.300 1.00 39.92 ? 810 NAG A N2 1 HETATM 4837 O O3 . NAG K 6 . ? -26.286 28.025 28.073 1.00 50.47 ? 810 NAG A O3 1 HETATM 4838 O O4 . NAG K 6 . ? -28.645 28.821 26.901 1.00 58.44 ? 810 NAG A O4 1 HETATM 4839 O O5 . NAG K 6 . ? -29.368 25.329 28.017 1.00 41.02 ? 810 NAG A O5 1 HETATM 4840 O O6 . NAG K 6 . ? -30.152 26.267 25.327 1.00 51.16 ? 810 NAG A O6 1 HETATM 4841 O O7 . NAG K 6 . ? -25.650 24.200 30.167 1.00 43.16 ? 810 NAG A O7 1 HETATM 4842 C C1 . NAG L 6 . ? -28.687 29.115 25.499 1.00 68.80 ? 811 NAG A C1 1 HETATM 4843 C C2 . NAG L 6 . ? -29.682 30.257 25.317 1.00 80.47 ? 811 NAG A C2 1 HETATM 4844 C C3 . NAG L 6 . ? -29.719 30.523 23.822 1.00 82.68 ? 811 NAG A C3 1 HETATM 4845 C C4 . NAG L 6 . ? -28.450 31.302 23.492 1.00 80.69 ? 811 NAG A C4 1 HETATM 4846 C C5 . NAG L 6 . ? -27.220 30.759 24.259 1.00 83.99 ? 811 NAG A C5 1 HETATM 4847 C C6 . NAG L 6 . ? -26.665 31.808 25.242 1.00 86.53 ? 811 NAG A C6 1 HETATM 4848 C C7 . NAG L 6 . ? -31.263 30.409 27.208 1.00 88.04 ? 811 NAG A C7 1 HETATM 4849 C C8 . NAG L 6 . ? -32.671 30.127 27.684 1.00 89.06 ? 811 NAG A C8 1 HETATM 4850 N N2 . NAG L 6 . ? -30.996 30.043 25.928 1.00 78.12 ? 811 NAG A N2 1 HETATM 4851 O O3 . NAG L 6 . ? -30.890 31.269 23.501 1.00 101.32 ? 811 NAG A O3 1 HETATM 4852 O O4 . NAG L 6 . ? -28.199 31.297 22.081 1.00 74.37 ? 811 NAG A O4 1 HETATM 4853 O O5 . NAG L 6 . ? -27.422 29.478 24.937 1.00 75.70 ? 811 NAG A O5 1 HETATM 4854 O O6 . NAG L 6 . ? -26.732 31.332 26.592 1.00 97.51 ? 811 NAG A O6 1 HETATM 4855 O O7 . NAG L 6 . ? -30.426 30.927 27.965 1.00 78.29 ? 811 NAG A O7 1 HETATM 4856 C C1 . NAG M 6 . ? -19.845 -25.528 9.959 1.00 51.26 ? 812 NAG A C1 1 HETATM 4857 C C2 . NAG M 6 . ? -18.765 -26.148 9.141 1.00 64.24 ? 812 NAG A C2 1 HETATM 4858 C C3 . NAG M 6 . ? -18.416 -27.461 9.834 1.00 68.73 ? 812 NAG A C3 1 HETATM 4859 C C4 . NAG M 6 . ? -17.960 -27.230 11.285 1.00 66.59 ? 812 NAG A C4 1 HETATM 4860 C C5 . NAG M 6 . ? -18.902 -26.321 12.055 1.00 62.33 ? 812 NAG A C5 1 HETATM 4861 C C6 . NAG M 6 . ? -18.270 -25.738 13.329 1.00 60.78 ? 812 NAG A C6 1 HETATM 4862 C C7 . NAG M 6 . ? -18.550 -25.889 6.691 1.00 71.29 ? 812 NAG A C7 1 HETATM 4863 C C8 . NAG M 6 . ? -19.168 -26.134 5.340 1.00 70.46 ? 812 NAG A C8 1 HETATM 4864 N N2 . NAG M 6 . ? -19.234 -26.312 7.765 1.00 67.23 ? 812 NAG A N2 1 HETATM 4865 O O3 . NAG M 6 . ? -17.388 -28.061 9.041 1.00 78.95 ? 812 NAG A O3 1 HETATM 4866 O O4 . NAG M 6 . ? -17.861 -28.454 12.028 1.00 72.66 ? 812 NAG A O4 1 HETATM 4867 O O5 . NAG M 6 . ? -19.246 -25.237 11.216 1.00 58.33 ? 812 NAG A O5 1 HETATM 4868 O O6 . NAG M 6 . ? -17.344 -24.675 13.041 1.00 56.74 ? 812 NAG A O6 1 HETATM 4869 O O7 . NAG M 6 . ? -17.469 -25.341 6.775 1.00 71.46 ? 812 NAG A O7 1 HETATM 4870 CA CA . CA N 7 . ? -28.187 -7.031 17.156 1.00 24.24 ? 813 CA A CA 1 HETATM 4871 I I . IOD O 4 . ? -2.641 5.728 43.039 0.70 47.35 ? 814 IOD A I 1 HETATM 4872 I I . IOD P 4 . ? -41.755 13.605 20.948 0.90 34.24 ? 815 IOD A I 1 HETATM 4873 I I . IOD Q 4 . ? -21.291 21.301 3.868 1.00 30.99 ? 816 IOD A I 1 HETATM 4874 I I . IOD R 4 . ? 8.630 -16.049 30.136 0.80 33.45 ? 817 IOD A I 1 HETATM 4875 I I . IOD S 4 . ? -12.803 23.121 16.277 0.60 73.54 ? 818 IOD A I 1 HETATM 4876 I I . IOD T 4 . ? 12.374 -7.031 25.508 0.60 74.93 ? 819 IOD A I 1 HETATM 4877 C CHA . HEM U 8 . ? -19.486 -0.289 27.766 1.00 24.28 ? 820 HEM A CHA 1 HETATM 4878 C CHB . HEM U 8 . ? -19.455 4.494 27.843 1.00 22.71 ? 820 HEM A CHB 1 HETATM 4879 C CHC . HEM U 8 . ? -17.200 4.519 23.479 1.00 20.37 ? 820 HEM A CHC 1 HETATM 4880 C CHD . HEM U 8 . ? -17.505 -0.330 23.356 1.00 23.53 ? 820 HEM A CHD 1 HETATM 4881 C C1A . HEM U 8 . ? -19.606 1.000 28.203 1.00 25.56 ? 820 HEM A C1A 1 HETATM 4882 C C2A . HEM U 8 . ? -20.251 1.371 29.431 1.00 27.90 ? 820 HEM A C2A 1 HETATM 4883 C C3A . HEM U 8 . ? -20.256 2.729 29.460 1.00 27.56 ? 820 HEM A C3A 1 HETATM 4884 C C4A . HEM U 8 . ? -19.603 3.167 28.246 1.00 26.00 ? 820 HEM A C4A 1 HETATM 4885 C CMA . HEM U 8 . ? -20.783 3.578 30.608 1.00 26.85 ? 820 HEM A CMA 1 HETATM 4886 C CAA . HEM U 8 . ? -20.779 0.453 30.527 1.00 27.75 ? 820 HEM A CAA 1 HETATM 4887 C CBA . HEM U 8 . ? -19.640 0.258 31.510 1.00 26.96 ? 820 HEM A CBA 1 HETATM 4888 C CGA . HEM U 8 . ? -19.901 -0.800 32.559 1.00 27.53 ? 820 HEM A CGA 1 HETATM 4889 O O1A . HEM U 8 . ? -20.818 -0.622 33.412 1.00 28.22 ? 820 HEM A O1A 1 HETATM 4890 O O2A . HEM U 8 . ? -19.231 -1.874 32.635 1.00 23.89 ? 820 HEM A O2A 1 HETATM 4891 C C1B . HEM U 8 . ? -18.897 4.902 26.628 1.00 20.52 ? 820 HEM A C1B 1 HETATM 4892 C C2B . HEM U 8 . ? -18.740 6.301 26.260 1.00 22.95 ? 820 HEM A C2B 1 HETATM 4893 C C3B . HEM U 8 . ? -18.105 6.326 25.017 1.00 23.82 ? 820 HEM A C3B 1 HETATM 4894 C C4B . HEM U 8 . ? -17.844 4.906 24.653 1.00 22.20 ? 820 HEM A C4B 1 HETATM 4895 C CMB . HEM U 8 . ? -19.176 7.525 27.018 1.00 22.64 ? 820 HEM A CMB 1 HETATM 4896 C CAB . HEM U 8 . ? -17.722 7.466 24.159 1.00 28.36 ? 820 HEM A CAB 1 HETATM 4897 C CBB . HEM U 8 . ? -18.012 8.727 24.421 1.00 30.56 ? 820 HEM A CBB 1 HETATM 4898 C C1C . HEM U 8 . ? -17.039 3.187 23.037 1.00 22.16 ? 820 HEM A C1C 1 HETATM 4899 C C2C . HEM U 8 . ? -16.384 2.754 21.879 1.00 23.78 ? 820 HEM A C2C 1 HETATM 4900 C C3C . HEM U 8 . ? -16.493 1.388 21.831 1.00 24.17 ? 820 HEM A C3C 1 HETATM 4901 C C4C . HEM U 8 . ? -17.201 0.984 23.009 1.00 23.90 ? 820 HEM A C4C 1 HETATM 4902 C CMC . HEM U 8 . ? -15.740 3.647 20.864 1.00 25.98 ? 820 HEM A CMC 1 HETATM 4903 C CAC . HEM U 8 . ? -15.998 0.436 20.825 1.00 22.64 ? 820 HEM A CAC 1 HETATM 4904 C CBC . HEM U 8 . ? -15.329 0.748 19.709 1.00 27.73 ? 820 HEM A CBC 1 HETATM 4905 C C1D . HEM U 8 . ? -18.103 -0.679 24.541 1.00 25.81 ? 820 HEM A C1D 1 HETATM 4906 C C2D . HEM U 8 . ? -18.467 -2.092 24.843 1.00 26.81 ? 820 HEM A C2D 1 HETATM 4907 C C3D . HEM U 8 . ? -19.013 -2.054 26.102 1.00 25.62 ? 820 HEM A C3D 1 HETATM 4908 C C4D . HEM U 8 . ? -19.010 -0.650 26.505 1.00 22.99 ? 820 HEM A C4D 1 HETATM 4909 C CMD . HEM U 8 . ? -18.213 -3.316 23.972 1.00 26.34 ? 820 HEM A CMD 1 HETATM 4910 C CAD . HEM U 8 . ? -19.581 -3.228 26.875 1.00 28.03 ? 820 HEM A CAD 1 HETATM 4911 C CBD . HEM U 8 . ? -20.988 -3.524 26.258 1.00 30.83 ? 820 HEM A CBD 1 HETATM 4912 C CGD . HEM U 8 . ? -21.721 -4.575 27.080 1.00 37.21 ? 820 HEM A CGD 1 HETATM 4913 O O1D . HEM U 8 . ? -21.672 -5.839 26.892 1.00 36.56 ? 820 HEM A O1D 1 HETATM 4914 O O2D . HEM U 8 . ? -22.435 -4.118 28.013 1.00 33.07 ? 820 HEM A O2D 1 HETATM 4915 N NA . HEM U 8 . ? -19.175 2.100 27.492 1.00 20.96 ? 820 HEM A NA 1 HETATM 4916 N NB . HEM U 8 . ? -18.276 4.168 25.710 1.00 20.24 ? 820 HEM A NB 1 HETATM 4917 N NC . HEM U 8 . ? -17.420 2.084 23.738 1.00 22.87 ? 820 HEM A NC 1 HETATM 4918 N ND . HEM U 8 . ? -18.348 0.133 25.598 1.00 25.00 ? 820 HEM A ND 1 HETATM 4919 FE FE . HEM U 8 . ? -18.274 2.075 25.669 1.00 24.00 ? 820 HEM A FE 1 HETATM 4920 O O . HOH V 9 . ? -22.774 3.107 26.761 0.50 25.77 ? 901 HOH A O 1 HETATM 4921 O O . HOH V 9 . ? -38.091 11.467 29.561 1.00 58.25 ? 902 HOH A O 1 HETATM 4922 O O . HOH V 9 . ? -23.206 10.543 37.538 1.00 45.99 ? 903 HOH A O 1 HETATM 4923 O O . HOH V 9 . ? -15.047 15.211 37.959 1.00 37.87 ? 904 HOH A O 1 HETATM 4924 O O . HOH V 9 . ? -12.281 11.829 -0.570 1.00 40.19 ? 905 HOH A O 1 HETATM 4925 O O . HOH V 9 . ? -14.944 -16.819 48.132 1.00 51.72 ? 906 HOH A O 1 HETATM 4926 O O . HOH V 9 . ? 14.664 -6.314 32.039 1.00 60.18 ? 907 HOH A O 1 HETATM 4927 O O . HOH V 9 . ? -29.205 17.581 9.949 1.00 24.90 ? 908 HOH A O 1 HETATM 4928 O O . HOH V 9 . ? -22.302 -2.143 29.316 1.00 41.26 ? 909 HOH A O 1 HETATM 4929 O O . HOH V 9 . ? -13.476 11.338 7.031 1.00 33.01 ? 910 HOH A O 1 HETATM 4930 O O . HOH V 9 . ? -12.597 18.672 31.040 1.00 46.64 ? 911 HOH A O 1 HETATM 4931 O O . HOH V 9 . ? -23.012 3.496 39.135 1.00 52.05 ? 912 HOH A O 1 HETATM 4932 O O . HOH V 9 . ? -3.940 -1.922 44.634 1.00 26.60 ? 913 HOH A O 1 HETATM 4933 O O . HOH V 9 . ? -4.302 -15.763 33.250 1.00 25.78 ? 914 HOH A O 1 HETATM 4934 O O . HOH V 9 . ? -35.481 -15.693 23.132 1.00 50.10 ? 915 HOH A O 1 HETATM 4935 O O . HOH V 9 . ? -49.858 -2.713 7.367 1.00 40.65 ? 916 HOH A O 1 HETATM 4936 O O . HOH V 9 . ? -28.620 6.652 2.243 1.00 45.46 ? 917 HOH A O 1 HETATM 4937 O O . HOH V 9 . ? -35.447 -5.116 1.453 1.00 29.92 ? 918 HOH A O 1 HETATM 4938 O O . HOH V 9 . ? -5.725 15.518 30.978 1.00 45.62 ? 919 HOH A O 1 HETATM 4939 O O . HOH V 9 . ? -22.787 0.254 38.361 1.00 42.07 ? 920 HOH A O 1 HETATM 4940 O O . HOH V 9 . ? -39.139 11.685 8.417 1.00 31.40 ? 921 HOH A O 1 HETATM 4941 O O . HOH V 9 . ? -21.187 -0.207 24.574 1.00 58.17 ? 922 HOH A O 1 HETATM 4942 O O . HOH V 9 . ? -12.710 -21.511 35.947 1.00 72.10 ? 923 HOH A O 1 HETATM 4943 O O . HOH V 9 . ? -37.181 -6.843 8.081 1.00 28.87 ? 924 HOH A O 1 HETATM 4944 O O . HOH V 9 . ? -22.718 -10.552 44.729 1.00 43.30 ? 925 HOH A O 1 HETATM 4945 O O . HOH V 9 . ? -32.387 -5.405 10.242 1.00 23.62 ? 926 HOH A O 1 HETATM 4946 O O . HOH V 9 . ? -12.529 -17.676 12.941 1.00 45.54 ? 927 HOH A O 1 HETATM 4947 O O . HOH V 9 . ? -16.823 -30.295 7.884 1.00 83.96 ? 928 HOH A O 1 HETATM 4948 O O . HOH V 9 . ? -30.695 -7.230 6.552 1.00 26.76 ? 929 HOH A O 1 HETATM 4949 O O . HOH V 9 . ? -19.574 -20.583 21.530 1.00 63.09 ? 930 HOH A O 1 HETATM 4950 O O . HOH V 9 . ? -7.176 1.161 19.088 1.00 17.97 ? 931 HOH A O 1 HETATM 4951 O O . HOH V 9 . ? -37.131 -9.466 1.220 1.00 39.86 ? 932 HOH A O 1 HETATM 4952 O O . HOH V 9 . ? -45.140 10.835 5.282 1.00 51.18 ? 933 HOH A O 1 HETATM 4953 O O . HOH V 9 . ? -13.660 1.844 16.623 1.00 19.11 ? 934 HOH A O 1 HETATM 4954 O O . HOH V 9 . ? -9.401 -10.869 32.958 1.00 24.00 ? 935 HOH A O 1 HETATM 4955 O O . HOH V 9 . ? 4.008 -15.439 36.512 1.00 40.90 ? 936 HOH A O 1 HETATM 4956 O O . HOH V 9 . ? -31.544 5.331 -2.515 1.00 54.31 ? 937 HOH A O 1 HETATM 4957 O O . HOH V 9 . ? -24.481 -16.548 7.155 1.00 21.14 ? 938 HOH A O 1 HETATM 4958 O O . HOH V 9 . ? -30.027 6.909 26.890 1.00 51.02 ? 939 HOH A O 1 HETATM 4959 O O . HOH V 9 . ? -27.870 -12.246 22.047 1.00 24.40 ? 940 HOH A O 1 HETATM 4960 O O . HOH V 9 . ? -27.251 -5.442 45.915 1.00 54.41 ? 941 HOH A O 1 HETATM 4961 O O . HOH V 9 . ? -28.647 -19.284 12.579 1.00 26.48 ? 942 HOH A O 1 HETATM 4962 O O . HOH V 9 . ? -13.798 -12.701 38.901 1.00 23.68 ? 943 HOH A O 1 HETATM 4963 O O . HOH V 9 . ? -14.914 -3.603 46.729 1.00 49.38 ? 944 HOH A O 1 HETATM 4964 O O . HOH V 9 . ? -44.942 -10.179 2.235 1.00 70.00 ? 945 HOH A O 1 HETATM 4965 O O . HOH V 9 . ? -29.922 20.075 8.723 1.00 43.08 ? 946 HOH A O 1 HETATM 4966 O O . HOH V 9 . ? -1.664 4.883 45.875 1.00 59.22 ? 947 HOH A O 1 HETATM 4967 O O . HOH V 9 . ? -20.685 -6.582 29.237 1.00 28.48 ? 948 HOH A O 1 HETATM 4968 O O . HOH V 9 . ? -7.579 5.173 16.719 1.00 27.30 ? 949 HOH A O 1 HETATM 4969 O O . HOH V 9 . ? -11.293 -20.598 32.752 1.00 33.20 ? 950 HOH A O 1 HETATM 4970 O O . HOH V 9 . ? -26.079 -20.559 13.552 1.00 39.60 ? 951 HOH A O 1 HETATM 4971 O O . HOH V 9 . ? -20.794 2.408 25.068 1.00 29.77 ? 952 HOH A O 1 HETATM 4972 O O . HOH V 9 . ? -10.698 -9.877 35.360 1.00 26.11 ? 953 HOH A O 1 HETATM 4973 O O . HOH V 9 . ? -28.406 -12.143 -0.441 1.00 25.16 ? 954 HOH A O 1 HETATM 4974 O O . HOH V 9 . ? -7.462 13.948 23.167 1.00 40.11 ? 955 HOH A O 1 HETATM 4975 O O . HOH V 9 . ? -33.795 -7.881 -7.943 1.00 38.57 ? 956 HOH A O 1 HETATM 4976 O O . HOH V 9 . ? -9.545 7.858 25.424 1.00 17.91 ? 957 HOH A O 1 HETATM 4977 O O . HOH V 9 . ? -33.666 4.992 24.011 1.00 67.60 ? 958 HOH A O 1 HETATM 4978 O O . HOH V 9 . ? -43.914 -6.500 12.857 1.00 45.31 ? 959 HOH A O 1 HETATM 4979 O O . HOH V 9 . ? -26.934 16.574 1.178 1.00 36.30 ? 960 HOH A O 1 HETATM 4980 O O . HOH V 9 . ? -10.439 14.757 17.566 1.00 28.11 ? 961 HOH A O 1 HETATM 4981 O O . HOH V 9 . ? -10.829 0.494 42.915 1.00 29.13 ? 962 HOH A O 1 HETATM 4982 O O . HOH V 9 . ? -23.962 20.566 18.873 1.00 27.89 ? 963 HOH A O 1 HETATM 4983 O O . HOH V 9 . ? -35.074 -8.732 -0.985 1.00 60.17 ? 964 HOH A O 1 HETATM 4984 O O . HOH V 9 . ? -18.533 5.448 53.623 1.00 43.01 ? 965 HOH A O 1 HETATM 4985 O O . HOH V 9 . ? -24.833 21.355 16.458 1.00 33.87 ? 966 HOH A O 1 HETATM 4986 O O . HOH V 9 . ? -21.805 5.430 -1.955 1.00 34.67 ? 967 HOH A O 1 HETATM 4987 O O . HOH V 9 . ? -27.705 28.854 21.054 1.00 66.01 ? 968 HOH A O 1 HETATM 4988 O O . HOH V 9 . ? -12.991 15.804 18.179 1.00 23.04 ? 969 HOH A O 1 HETATM 4989 O O . HOH V 9 . ? -25.315 -16.400 40.905 1.00 45.50 ? 970 HOH A O 1 HETATM 4990 O O . HOH V 9 . ? -22.698 16.046 30.558 1.00 49.06 ? 971 HOH A O 1 HETATM 4991 O O . HOH V 9 . ? -46.630 1.646 9.555 1.00 56.74 ? 972 HOH A O 1 HETATM 4992 O O . HOH V 9 . ? -8.208 14.626 9.775 1.00 56.93 ? 973 HOH A O 1 HETATM 4993 O O . HOH V 9 . ? -27.947 20.547 11.776 1.00 23.32 ? 974 HOH A O 1 HETATM 4994 O O . HOH V 9 . ? -11.857 -12.198 36.776 1.00 23.70 ? 975 HOH A O 1 HETATM 4995 O O . HOH V 9 . ? -0.911 -7.436 43.859 1.00 47.86 ? 976 HOH A O 1 HETATM 4996 O O . HOH V 9 . ? -26.998 -18.338 25.720 1.00 34.17 ? 977 HOH A O 1 HETATM 4997 O O . HOH V 9 . ? -29.105 -3.378 19.731 1.00 19.50 ? 978 HOH A O 1 HETATM 4998 O O . HOH V 9 . ? -8.754 -22.261 21.092 1.00 44.42 ? 979 HOH A O 1 HETATM 4999 O O . HOH V 9 . ? -4.233 -12.733 16.143 1.00 49.66 ? 980 HOH A O 1 HETATM 5000 O O . HOH V 9 . ? -22.698 17.279 -10.346 1.00 29.27 ? 981 HOH A O 1 HETATM 5001 O O . HOH V 9 . ? -37.120 -14.957 11.203 1.00 23.12 ? 982 HOH A O 1 HETATM 5002 O O . HOH V 9 . ? -11.225 10.023 1.361 1.00 41.33 ? 983 HOH A O 1 HETATM 5003 O O . HOH V 9 . ? -4.216 -7.292 21.619 1.00 24.23 ? 984 HOH A O 1 HETATM 5004 O O . HOH V 9 . ? -10.160 -12.547 45.387 1.00 42.14 ? 985 HOH A O 1 HETATM 5005 O O . HOH V 9 . ? -10.984 4.326 49.699 1.00 41.35 ? 986 HOH A O 1 HETATM 5006 O O . HOH V 9 . ? -6.294 12.769 29.914 1.00 27.06 ? 987 HOH A O 1 HETATM 5007 O O . HOH V 9 . ? -18.015 16.094 15.855 1.00 23.45 ? 988 HOH A O 1 HETATM 5008 O O . HOH V 9 . ? -11.969 0.892 4.937 1.00 46.07 ? 989 HOH A O 1 HETATM 5009 O O . HOH V 9 . ? -6.680 19.978 3.043 1.00 51.73 ? 990 HOH A O 1 HETATM 5010 O O . HOH V 9 . ? -38.495 5.994 16.324 1.00 24.59 ? 991 HOH A O 1 HETATM 5011 O O . HOH V 9 . ? -38.544 15.487 14.191 1.00 26.72 ? 992 HOH A O 1 HETATM 5012 O O . HOH V 9 . ? -41.616 -4.208 14.488 1.00 32.27 ? 993 HOH A O 1 HETATM 5013 O O . HOH V 9 . ? -43.855 13.243 11.912 1.00 66.82 ? 994 HOH A O 1 HETATM 5014 O O . HOH V 9 . ? -10.534 15.756 43.083 1.00 48.89 ? 995 HOH A O 1 HETATM 5015 O O . HOH V 9 . ? -42.863 9.023 11.388 1.00 31.58 ? 996 HOH A O 1 HETATM 5016 O O . HOH V 9 . ? -32.211 -18.400 16.469 1.00 25.75 ? 997 HOH A O 1 HETATM 5017 O O . HOH V 9 . ? 3.263 9.367 23.538 1.00 52.23 ? 998 HOH A O 1 HETATM 5018 O O . HOH V 9 . ? -27.086 2.949 21.585 1.00 24.42 ? 999 HOH A O 1 HETATM 5019 O O . HOH V 9 . ? 1.237 3.256 30.777 1.00 46.87 ? 1000 HOH A O 1 HETATM 5020 O O . HOH V 9 . ? -26.938 1.145 -5.728 1.00 31.06 ? 1001 HOH A O 1 HETATM 5021 O O . HOH V 9 . ? -12.335 18.460 18.531 1.00 23.84 ? 1002 HOH A O 1 HETATM 5022 O O . HOH V 9 . ? -22.727 -10.254 37.799 1.00 30.91 ? 1003 HOH A O 1 HETATM 5023 O O . HOH V 9 . ? -2.751 -9.682 41.147 1.00 28.06 ? 1004 HOH A O 1 HETATM 5024 O O . HOH V 9 . ? -18.315 3.923 4.100 1.00 34.92 ? 1005 HOH A O 1 HETATM 5025 O O . HOH V 9 . ? -7.663 -10.127 37.895 1.00 30.17 ? 1006 HOH A O 1 HETATM 5026 O O . HOH V 9 . ? -26.925 -14.880 24.159 1.00 40.98 ? 1007 HOH A O 1 HETATM 5027 O O . HOH V 9 . ? -31.578 4.693 15.954 1.00 26.10 ? 1008 HOH A O 1 HETATM 5028 O O . HOH V 9 . ? -33.937 -6.540 16.418 1.00 24.25 ? 1009 HOH A O 1 HETATM 5029 O O . HOH V 9 . ? -31.670 -3.403 20.886 1.00 21.89 ? 1010 HOH A O 1 HETATM 5030 O O . HOH V 9 . ? -6.292 9.998 31.903 1.00 23.16 ? 1011 HOH A O 1 HETATM 5031 O O . HOH V 9 . ? -22.257 6.719 31.397 1.00 40.75 ? 1012 HOH A O 1 HETATM 5032 O O . HOH V 9 . ? -38.900 18.290 29.762 1.00 68.41 ? 1013 HOH A O 1 HETATM 5033 O O . HOH V 9 . ? -26.495 12.576 23.947 1.00 37.28 ? 1014 HOH A O 1 HETATM 5034 O O . HOH V 9 . ? -25.001 -11.211 12.015 1.00 21.72 ? 1015 HOH A O 1 HETATM 5035 O O . HOH V 9 . ? -24.136 18.609 -3.995 1.00 18.16 ? 1016 HOH A O 1 HETATM 5036 O O . HOH V 9 . ? -39.141 -1.045 15.458 1.00 23.49 ? 1017 HOH A O 1 HETATM 5037 O O . HOH V 9 . ? -37.908 -17.002 9.597 1.00 48.19 ? 1018 HOH A O 1 HETATM 5038 O O . HOH V 9 . ? -20.010 -17.768 20.710 1.00 26.30 ? 1019 HOH A O 1 HETATM 5039 O O . HOH V 9 . ? -19.142 -18.357 5.420 1.00 34.55 ? 1020 HOH A O 1 HETATM 5040 O O . HOH V 9 . ? -31.433 7.126 24.700 1.00 40.35 ? 1021 HOH A O 1 HETATM 5041 O O . HOH V 9 . ? -33.441 -5.407 13.866 1.00 24.27 ? 1022 HOH A O 1 HETATM 5042 O O . HOH V 9 . ? -31.607 19.587 29.356 1.00 35.85 ? 1023 HOH A O 1 HETATM 5043 O O . HOH V 9 . ? -3.952 -3.882 21.491 1.00 36.30 ? 1024 HOH A O 1 HETATM 5044 O O . HOH V 9 . ? -34.490 7.255 26.695 1.00 47.50 ? 1025 HOH A O 1 HETATM 5045 O O . HOH V 9 . ? -5.901 3.419 18.119 1.00 23.70 ? 1026 HOH A O 1 HETATM 5046 O O . HOH V 9 . ? 8.463 0.564 23.493 1.00 42.05 ? 1027 HOH A O 1 HETATM 5047 O O . HOH V 9 . ? -32.382 12.889 17.329 1.00 29.10 ? 1028 HOH A O 1 HETATM 5048 O O . HOH V 9 . ? -17.346 8.822 43.877 1.00 45.94 ? 1029 HOH A O 1 HETATM 5049 O O . HOH V 9 . ? -24.875 -13.015 23.568 1.00 22.99 ? 1030 HOH A O 1 HETATM 5050 O O . HOH V 9 . ? -22.011 21.255 26.711 1.00 29.17 ? 1031 HOH A O 1 HETATM 5051 O O . HOH V 9 . ? -14.892 -20.089 38.775 1.00 35.51 ? 1032 HOH A O 1 HETATM 5052 O O . HOH V 9 . ? -0.614 10.277 17.982 1.00 47.19 ? 1033 HOH A O 1 HETATM 5053 O O . HOH V 9 . ? -33.674 11.616 4.889 1.00 49.98 ? 1034 HOH A O 1 HETATM 5054 O O . HOH V 9 . ? -11.329 -2.378 42.572 1.00 22.51 ? 1035 HOH A O 1 HETATM 5055 O O . HOH V 9 . ? -1.748 5.825 30.085 1.00 26.61 ? 1036 HOH A O 1 HETATM 5056 O O . HOH V 9 . ? -10.144 -20.333 36.930 1.00 46.12 ? 1037 HOH A O 1 HETATM 5057 O O . HOH V 9 . ? -22.250 -15.577 30.661 1.00 27.88 ? 1038 HOH A O 1 HETATM 5058 O O . HOH V 9 . ? 2.189 3.144 22.224 1.00 40.64 ? 1039 HOH A O 1 HETATM 5059 O O . HOH V 9 . ? -11.276 -5.439 45.174 1.00 39.24 ? 1040 HOH A O 1 HETATM 5060 O O . HOH V 9 . ? 0.526 3.800 19.409 1.00 61.90 ? 1041 HOH A O 1 HETATM 5061 O O . HOH V 9 . ? -11.947 -5.852 42.439 1.00 24.38 ? 1042 HOH A O 1 HETATM 5062 O O . HOH V 9 . ? 5.674 -0.988 21.732 1.00 60.14 ? 1043 HOH A O 1 HETATM 5063 O O . HOH V 9 . ? -30.046 17.339 27.508 1.00 28.04 ? 1044 HOH A O 1 HETATM 5064 O O . HOH V 9 . ? -20.442 27.381 19.203 1.00 34.47 ? 1045 HOH A O 1 HETATM 5065 O O . HOH V 9 . ? -35.420 -8.772 8.302 1.00 26.74 ? 1046 HOH A O 1 HETATM 5066 O O . HOH V 9 . ? -34.175 4.130 16.968 1.00 25.48 ? 1047 HOH A O 1 HETATM 5067 O O . HOH V 9 . ? -33.002 -10.479 14.921 1.00 26.91 ? 1048 HOH A O 1 HETATM 5068 O O . HOH V 9 . ? -21.624 8.821 29.447 1.00 51.72 ? 1049 HOH A O 1 HETATM 5069 O O . HOH V 9 . ? 0.310 0.291 9.917 1.00 48.21 ? 1050 HOH A O 1 HETATM 5070 O O . HOH V 9 . ? -15.320 16.425 16.649 1.00 23.73 ? 1051 HOH A O 1 HETATM 5071 O O . HOH V 9 . ? -38.208 9.829 -5.051 1.00 63.68 ? 1052 HOH A O 1 HETATM 5072 O O . HOH V 9 . ? -44.126 1.501 11.149 1.00 38.50 ? 1053 HOH A O 1 HETATM 5073 O O . HOH V 9 . ? -10.608 13.004 9.671 1.00 24.29 ? 1054 HOH A O 1 HETATM 5074 O O . HOH V 9 . ? -38.886 -6.316 -4.434 1.00 52.99 ? 1055 HOH A O 1 HETATM 5075 O O . HOH V 9 . ? -15.233 -16.923 30.855 1.00 29.40 ? 1056 HOH A O 1 HETATM 5076 O O . HOH V 9 . ? -5.561 -9.655 6.339 1.00 52.42 ? 1057 HOH A O 1 HETATM 5077 O O . HOH V 9 . ? -36.312 -9.616 23.932 1.00 51.81 ? 1058 HOH A O 1 HETATM 5078 O O . HOH V 9 . ? -16.314 -12.246 1.842 1.00 39.37 ? 1059 HOH A O 1 HETATM 5079 O O . HOH V 9 . ? -21.629 -5.587 31.755 1.00 34.46 ? 1060 HOH A O 1 HETATM 5080 O O . HOH V 9 . ? -30.876 -1.587 24.946 1.00 39.60 ? 1061 HOH A O 1 HETATM 5081 O O . HOH V 9 . ? -16.322 -22.248 36.099 1.00 37.91 ? 1062 HOH A O 1 HETATM 5082 O O . HOH V 9 . ? -35.980 6.000 17.540 1.00 24.04 ? 1063 HOH A O 1 HETATM 5083 O O . HOH V 9 . ? -17.473 6.706 2.848 1.00 33.96 ? 1064 HOH A O 1 HETATM 5084 O O . HOH V 9 . ? -34.329 -3.394 23.027 1.00 41.63 ? 1065 HOH A O 1 HETATM 5085 O O . HOH V 9 . ? -5.526 11.626 34.622 1.00 39.09 ? 1066 HOH A O 1 HETATM 5086 O O . HOH V 9 . ? -14.506 -19.191 15.844 1.00 59.33 ? 1067 HOH A O 1 HETATM 5087 O O . HOH V 9 . ? -18.653 -3.139 -2.297 1.00 46.18 ? 1068 HOH A O 1 HETATM 5088 O O . HOH V 9 . ? -32.487 -12.783 13.260 1.00 25.24 ? 1069 HOH A O 1 HETATM 5089 O O . HOH V 9 . ? -25.500 20.603 30.469 1.00 42.73 ? 1070 HOH A O 1 HETATM 5090 O O . HOH V 9 . ? -48.162 -5.575 1.183 1.00 50.66 ? 1071 HOH A O 1 HETATM 5091 O O . HOH V 9 . ? -25.118 19.497 34.959 1.00 63.61 ? 1072 HOH A O 1 HETATM 5092 O O . HOH V 9 . ? -5.555 10.058 39.029 1.00 45.73 ? 1073 HOH A O 1 HETATM 5093 O O . HOH V 9 . ? -6.026 -1.633 6.821 1.00 47.59 ? 1074 HOH A O 1 HETATM 5094 O O . HOH V 9 . ? -12.575 -1.865 45.018 1.00 37.85 ? 1075 HOH A O 1 HETATM 5095 O O . HOH V 9 . ? -37.481 -7.325 -1.905 1.00 43.57 ? 1076 HOH A O 1 HETATM 5096 O O . HOH V 9 . ? -25.304 4.560 1.600 1.00 32.08 ? 1077 HOH A O 1 HETATM 5097 O O . HOH V 9 . ? -28.604 -15.933 22.551 1.00 27.39 ? 1078 HOH A O 1 HETATM 5098 O O . HOH V 9 . ? -35.154 -14.296 13.058 1.00 32.45 ? 1079 HOH A O 1 HETATM 5099 O O . HOH V 9 . ? -23.157 -19.357 28.911 1.00 54.56 ? 1080 HOH A O 1 HETATM 5100 O O . HOH V 9 . ? -1.116 -13.926 12.390 1.00 82.25 ? 1081 HOH A O 1 HETATM 5101 O O . HOH V 9 . ? -26.402 -17.147 36.414 1.00 38.15 ? 1082 HOH A O 1 HETATM 5102 O O . HOH V 9 . ? -4.092 15.875 3.004 1.00 52.73 ? 1083 HOH A O 1 HETATM 5103 O O . HOH V 9 . ? 10.565 -11.574 36.351 1.00 43.32 ? 1084 HOH A O 1 HETATM 5104 O O . HOH V 9 . ? -28.539 -3.499 -9.625 1.00 68.35 ? 1085 HOH A O 1 HETATM 5105 O O . HOH V 9 . ? -22.065 -17.033 45.858 1.00 63.97 ? 1086 HOH A O 1 HETATM 5106 O O . HOH V 9 . ? -29.232 -7.412 9.122 1.00 33.69 ? 1087 HOH A O 1 HETATM 5107 O O . HOH V 9 . ? -24.763 23.542 9.862 1.00 55.13 ? 1088 HOH A O 1 HETATM 5108 O O . HOH V 9 . ? -43.944 7.957 -0.460 1.00 60.42 ? 1089 HOH A O 1 HETATM 5109 O O . HOH V 9 . ? -8.494 15.669 29.670 1.00 46.51 ? 1090 HOH A O 1 HETATM 5110 O O . HOH V 9 . ? -49.897 14.129 12.695 1.00 78.70 ? 1091 HOH A O 1 HETATM 5111 O O . HOH V 9 . ? 1.376 0.023 18.637 1.00 40.19 ? 1092 HOH A O 1 HETATM 5112 O O . HOH V 9 . ? -32.593 -7.543 8.673 1.00 30.36 ? 1093 HOH A O 1 HETATM 5113 O O . HOH V 9 . ? -17.783 29.827 1.522 1.00 52.94 ? 1094 HOH A O 1 HETATM 5114 O O . HOH V 9 . ? 1.940 12.221 22.610 1.00 43.80 ? 1095 HOH A O 1 HETATM 5115 O O . HOH V 9 . ? -10.541 -19.532 14.516 1.00 63.51 ? 1096 HOH A O 1 HETATM 5116 O O . HOH V 9 . ? -22.810 27.671 20.412 1.00 53.85 ? 1097 HOH A O 1 HETATM 5117 O O . HOH V 9 . ? -8.522 16.134 14.873 1.00 33.65 ? 1098 HOH A O 1 HETATM 5118 O O . HOH V 9 . ? -29.867 -31.142 15.839 1.00 45.05 ? 1099 HOH A O 1 HETATM 5119 O O . HOH V 9 . ? -32.977 12.355 0.470 1.00 59.79 ? 1100 HOH A O 1 HETATM 5120 O O . HOH V 9 . ? -48.899 10.086 15.317 1.00 51.12 ? 1101 HOH A O 1 HETATM 5121 O O . HOH V 9 . ? -23.049 18.864 30.963 1.00 43.43 ? 1102 HOH A O 1 HETATM 5122 O O . HOH V 9 . ? -0.209 12.672 16.777 1.00 68.67 ? 1103 HOH A O 1 HETATM 5123 O O . HOH V 9 . ? -28.984 2.043 3.824 1.00 44.81 ? 1104 HOH A O 1 HETATM 5124 O O . HOH V 9 . ? -22.847 -0.109 27.341 1.00 39.39 ? 1105 HOH A O 1 HETATM 5125 O O . HOH V 9 . ? -4.811 19.248 51.976 1.00 43.38 ? 1106 HOH A O 1 HETATM 5126 O O . HOH V 9 . ? -35.879 -27.090 18.405 1.00 72.44 ? 1107 HOH A O 1 HETATM 5127 O O . HOH V 9 . ? -7.189 0.654 21.472 1.00 30.45 ? 1108 HOH A O 1 HETATM 5128 O O . HOH V 9 . ? -29.296 -18.602 23.530 1.00 41.44 ? 1109 HOH A O 1 HETATM 5129 O O . HOH V 9 . ? -28.815 23.746 7.271 1.00 54.80 ? 1110 HOH A O 1 HETATM 5130 O O . HOH V 9 . ? -31.191 -11.005 -9.425 1.00 35.62 ? 1111 HOH A O 1 HETATM 5131 O O . HOH V 9 . ? -22.121 -21.120 26.767 1.00 37.58 ? 1112 HOH A O 1 HETATM 5132 O O . HOH V 9 . ? -20.379 17.988 37.363 1.00 61.38 ? 1113 HOH A O 1 HETATM 5133 O O . HOH V 9 . ? -6.764 -18.733 41.522 1.00 16.89 ? 1114 HOH A O 1 HETATM 5134 O O . HOH V 9 . ? -43.720 -12.963 6.448 1.00 56.14 ? 1115 HOH A O 1 HETATM 5135 O O . HOH V 9 . ? -13.124 4.261 4.673 1.00 26.76 ? 1116 HOH A O 1 HETATM 5136 O O . HOH V 9 . ? -26.621 13.884 -4.615 1.00 28.83 ? 1117 HOH A O 1 HETATM 5137 O O . HOH V 9 . ? -40.933 16.435 30.429 1.00 55.97 ? 1118 HOH A O 1 HETATM 5138 O O . HOH V 9 . ? 1.821 -7.321 12.470 1.00 29.45 ? 1119 HOH A O 1 HETATM 5139 O O . HOH V 9 . ? -36.026 13.218 7.717 1.00 15.42 ? 1120 HOH A O 1 HETATM 5140 O O . HOH V 9 . ? -0.085 -0.128 13.084 1.00 48.18 ? 1121 HOH A O 1 HETATM 5141 O O . HOH V 9 . ? -4.308 1.891 49.209 1.00 35.58 ? 1122 HOH A O 1 HETATM 5142 O O . HOH V 9 . ? -33.196 -23.592 21.244 1.00 36.97 ? 1123 HOH A O 1 HETATM 5143 O O . HOH V 9 . ? -18.720 -22.031 16.549 1.00 21.99 ? 1124 HOH A O 1 HETATM 5144 O O . HOH V 9 . ? -49.961 10.033 12.965 1.00 77.05 ? 1125 HOH A O 1 HETATM 5145 O O . HOH V 9 . ? 1.329 12.988 29.978 1.00 18.06 ? 1126 HOH A O 1 HETATM 5146 O O . HOH V 9 . ? -36.771 23.403 16.163 1.00 38.27 ? 1127 HOH A O 1 HETATM 5147 O O . HOH V 9 . ? -8.204 -18.500 43.309 1.00 49.89 ? 1128 HOH A O 1 HETATM 5148 O O . HOH V 9 . ? -18.941 -21.686 33.439 1.00 17.34 ? 1129 HOH A O 1 HETATM 5149 O O . HOH V 9 . ? -2.308 -18.143 16.088 1.00 49.48 ? 1130 HOH A O 1 HETATM 5150 O O . HOH V 9 . ? -9.498 15.855 19.904 1.00 43.95 ? 1131 HOH A O 1 HETATM 5151 O O . HOH V 9 . ? -42.734 12.110 33.563 1.00 58.95 ? 1132 HOH A O 1 HETATM 5152 O O . HOH V 9 . ? -0.249 -21.716 23.693 1.00 57.11 ? 1133 HOH A O 1 HETATM 5153 O O . HOH V 9 . ? -21.797 21.970 -3.180 1.00 51.66 ? 1134 HOH A O 1 HETATM 5154 O O . HOH V 9 . ? -42.803 11.504 9.759 1.00 59.77 ? 1135 HOH A O 1 HETATM 5155 O O . HOH V 9 . ? -2.420 15.595 17.754 1.00 44.57 ? 1136 HOH A O 1 HETATM 5156 O O . HOH V 9 . ? -9.413 15.313 35.513 1.00 46.15 ? 1137 HOH A O 1 HETATM 5157 O O . HOH V 9 . ? -31.607 16.336 2.100 1.00 52.72 ? 1138 HOH A O 1 HETATM 5158 O O . HOH V 9 . ? 12.702 -11.302 34.824 1.00 24.50 ? 1139 HOH A O 1 HETATM 5159 O O . HOH V 9 . ? -15.957 -20.261 48.976 1.00 56.26 ? 1140 HOH A O 1 HETATM 5160 O O . HOH V 9 . ? -23.264 -10.296 -6.038 1.00 59.84 ? 1141 HOH A O 1 HETATM 5161 O O . HOH V 9 . ? -0.528 19.214 19.176 1.00 59.86 ? 1142 HOH A O 1 HETATM 5162 O O . HOH V 9 . ? -54.433 6.547 12.265 1.00 46.04 ? 1143 HOH A O 1 HETATM 5163 O O . HOH V 9 . ? -22.818 10.610 50.439 1.00 72.05 ? 1144 HOH A O 1 HETATM 5164 O O . HOH V 9 . ? -4.289 12.755 48.165 1.00 49.29 ? 1145 HOH A O 1 HETATM 5165 O O . HOH V 9 . ? -49.013 -9.149 -1.362 1.00 55.56 ? 1146 HOH A O 1 HETATM 5166 O O . HOH V 9 . ? -20.423 19.523 32.642 1.00 35.18 ? 1147 HOH A O 1 HETATM 5167 O O . HOH V 9 . ? -35.952 -7.828 41.996 1.00 56.01 ? 1148 HOH A O 1 HETATM 5168 O O . HOH V 9 . ? -6.719 18.276 14.486 1.00 58.90 ? 1149 HOH A O 1 HETATM 5169 O O . HOH V 9 . ? -3.335 18.182 3.080 1.00 57.79 ? 1150 HOH A O 1 HETATM 5170 O O . HOH V 9 . ? -4.932 -23.280 20.293 1.00 51.39 ? 1151 HOH A O 1 HETATM 5171 O O . HOH V 9 . ? -29.235 19.180 0.764 1.00 23.73 ? 1152 HOH A O 1 HETATM 5172 O O . HOH V 9 . ? 1.113 -12.370 15.629 1.00 54.60 ? 1153 HOH A O 1 HETATM 5173 O O . HOH V 9 . ? -0.578 1.707 50.189 1.00 66.27 ? 1154 HOH A O 1 HETATM 5174 O O . HOH V 9 . ? -11.970 -3.493 47.260 1.00 48.50 ? 1155 HOH A O 1 HETATM 5175 O O . HOH V 9 . ? -48.260 12.101 17.457 1.00 49.44 ? 1156 HOH A O 1 HETATM 5176 O O . HOH V 9 . ? -34.431 25.293 6.225 1.00 61.85 ? 1157 HOH A O 1 HETATM 5177 O O . HOH V 9 . ? -35.020 6.160 40.654 1.00 66.57 ? 1158 HOH A O 1 HETATM 5178 O O . HOH V 9 . ? -46.351 15.801 21.443 1.00 68.57 ? 1159 HOH A O 1 HETATM 5179 O O . HOH V 9 . ? -14.437 -3.889 -1.216 1.00 59.71 ? 1160 HOH A O 1 HETATM 5180 O O . HOH V 9 . ? 9.290 -7.752 38.876 1.00 57.95 ? 1161 HOH A O 1 HETATM 5181 O O . HOH V 9 . ? -5.587 -4.460 -1.470 1.00 60.37 ? 1162 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 1 SER SER A . n A 1 2 TRP 2 2 2 TRP TRP A . n A 1 3 GLU 3 3 3 GLU GLU A . n A 1 4 VAL 4 4 4 VAL VAL A . n A 1 5 GLY 5 5 5 GLY GLY A . n A 1 6 CYS 6 6 6 CYS CYS A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 ALA 8 8 8 ALA ALA A . n A 1 9 PRO 9 9 9 PRO PRO A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 LYS 14 14 14 LYS LYS A . n A 1 15 CYS 15 15 15 CYS CYS A . n A 1 16 ASP 16 16 16 ASP ASP A . n A 1 17 GLU 17 17 17 GLU GLU A . n A 1 18 ASN 18 18 18 ASN ASN A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 PRO 20 20 20 PRO PRO A . n A 1 21 TYR 21 21 21 TYR TYR A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 THR 23 23 23 THR THR A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 CYS 28 28 28 CYS CYS A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 ASN 30 30 30 ASN ASN A . n A 1 31 ARG 31 31 31 ARG ARG A . n A 1 32 ARG 32 32 32 ARG ARG A . n A 1 33 SER 33 33 33 SER SER A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 ALA 35 35 35 ALA ALA A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 GLY 37 37 37 GLY GLY A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 ASN 40 40 40 ASN ASN A . n A 1 41 ARG 41 41 41 ARG ARG A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 TRP 46 46 46 TRP TRP A . n A 1 47 LEU 47 47 47 LEU LEU A . n A 1 48 PRO 48 48 48 PRO PRO A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 GLU 50 50 50 GLU GLU A . n A 1 51 TYR 51 51 51 TYR TYR A . n A 1 52 GLU 52 52 52 GLU GLU A . n A 1 53 ASP 53 53 53 ASP ASP A . n A 1 54 GLY 54 54 54 GLY GLY A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 ALA 56 56 56 ALA ALA A . n A 1 57 LEU 57 57 57 LEU LEU A . n A 1 58 PRO 58 58 58 PRO PRO A . n A 1 59 PHE 59 59 59 PHE PHE A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 TRP 61 61 61 TRP TRP A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 GLN 63 63 63 GLN GLN A . n A 1 64 ARG 64 64 64 ARG ARG A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 THR 66 66 66 THR THR A . n A 1 67 ARG 67 67 67 ARG ARG A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 ARG 71 71 71 ARG ARG A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 PRO 73 73 73 PRO PRO A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 ARG 76 76 76 ARG ARG A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 VAL 78 78 78 VAL VAL A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 ASN 80 80 80 ASN ASN A . n A 1 81 LYS 81 81 81 LYS LYS A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 VAL 83 83 83 VAL VAL A . n A 1 84 GLY 84 84 84 GLY GLY A . n A 1 85 TYR 85 85 85 TYR TYR A . n A 1 86 LEU 86 86 86 LEU LEU A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLU 88 88 88 GLU GLU A . n A 1 89 GLU 89 89 89 GLU GLU A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 VAL 91 91 91 VAL VAL A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 GLN 94 94 94 GLN GLN A . n A 1 95 ASN 95 95 95 ASN ASN A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 SER 97 97 97 SER SER A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 PHE 100 100 100 PHE PHE A . n A 1 101 MET 101 101 101 MET MET A . n A 1 102 GLN 102 102 102 GLN GLN A . n A 1 103 TRP 103 103 103 TRP TRP A . n A 1 104 GLY 104 104 104 GLY GLY A . n A 1 105 GLN 105 105 105 GLN GLN A . n A 1 106 ILE 106 106 106 ILE ILE A . n A 1 107 VAL 107 107 107 VAL VAL A . n A 1 108 ASP 108 108 108 ASP ASP A . n A 1 109 HIS 109 109 109 HIS HIS A . n A 1 110 ASP 110 110 110 ASP ASP A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 ASP 112 112 112 ASP ASP A . n A 1 113 PHE 113 113 113 PHE PHE A . n A 1 114 ALA 114 114 114 ALA ALA A . n A 1 115 PRO 115 115 115 PRO PRO A . n A 1 116 GLU 116 116 116 GLU GLU A . n A 1 117 THR 117 117 117 THR THR A . n A 1 118 GLU 118 118 118 GLU GLU A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 SER 121 121 121 SER SER A . n A 1 122 ASN 122 122 122 ASN ASN A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 HIS 124 124 124 HIS HIS A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 THR 127 127 127 THR THR A . n A 1 128 GLN 128 128 128 GLN GLN A . n A 1 129 CYS 129 129 129 CYS CYS A . n A 1 130 GLU 130 130 130 GLU GLU A . n A 1 131 GLU 131 131 131 GLU GLU A . n A 1 132 TYR 132 132 132 TYR TYR A . n A 1 133 CYS 133 133 133 CYS CYS A . n A 1 134 ILE 134 134 134 ILE ILE A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 GLY 136 136 136 GLY GLY A . n A 1 137 ASP 137 137 137 ASP ASP A . n A 1 138 ASN 138 138 138 ASN ASN A . n A 1 139 CYS 139 139 139 CYS CYS A . n A 1 140 PHE 140 140 140 PHE PHE A . n A 1 141 PRO 141 141 141 PRO PRO A . n A 1 142 ILE 142 142 142 ILE ILE A . n A 1 143 MET 143 143 143 MET MET A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 PRO 145 145 145 PRO PRO A . n A 1 146 LYS 146 146 146 LYS LYS A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 ASP 148 148 148 ASP ASP A . n A 1 149 PRO 149 149 149 PRO PRO A . n A 1 150 LYS 150 150 150 LYS LYS A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LYS 152 152 152 LYS LYS A . n A 1 153 THR 153 153 153 THR THR A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 LYS 156 156 156 LYS LYS A . n A 1 157 CYS 157 157 157 CYS CYS A . n A 1 158 MET 158 158 158 MET MET A . n A 1 159 PRO 159 159 159 PRO PRO A . n A 1 160 PHE 160 160 160 PHE PHE A . n A 1 161 PHE 161 161 161 PHE PHE A . n A 1 162 ARG 162 162 162 ARG ARG A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 PHE 165 165 165 PHE PHE A . n A 1 166 VAL 166 166 166 VAL VAL A . n A 1 167 CYS 167 167 167 CYS CYS A . n A 1 168 PRO 168 168 168 PRO PRO A . n A 1 169 THR 169 169 169 THR THR A . n A 1 170 PRO 170 170 170 PRO PRO A . n A 1 171 PRO 171 171 171 PRO PRO A . n A 1 172 TYR 172 172 172 TYR TYR A . n A 1 173 GLN 173 173 173 GLN GLN A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 ALA 176 176 176 ALA ALA A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 GLU 178 178 178 GLU GLU A . n A 1 179 GLN 179 179 179 GLN GLN A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 ASN 181 181 181 ASN ASN A . n A 1 182 ALA 182 182 182 ALA ALA A . n A 1 183 VAL 183 183 183 VAL VAL A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 SER 185 185 185 SER SER A . n A 1 186 PHE 186 186 186 PHE PHE A . n A 1 187 LEU 187 187 187 LEU LEU A . n A 1 188 ASP 188 188 188 ASP ASP A . n A 1 189 ALA 189 189 189 ALA ALA A . n A 1 190 SER 190 190 190 SER SER A . n A 1 191 LEU 191 191 191 LEU LEU A . n A 1 192 VAL 192 192 192 VAL VAL A . n A 1 193 TYR 193 193 193 TYR TYR A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 GLU 196 196 196 GLU GLU A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SEP 198 198 198 SEP SEP A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 ALA 200 200 200 ALA ALA A . n A 1 201 SER 201 201 201 SER SER A . n A 1 202 ARG 202 202 202 ARG ARG A . n A 1 203 LEU 203 203 203 LEU LEU A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 SER 207 207 207 SER SER A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 PRO 209 209 209 PRO PRO A . n A 1 210 LEU 210 210 210 LEU LEU A . n A 1 211 GLY 211 211 211 GLY GLY A . n A 1 212 LEU 212 212 212 LEU LEU A . n A 1 213 MET 213 213 213 MET MET A . n A 1 214 ALA 214 214 214 ALA ALA A . n A 1 215 VAL 215 215 215 VAL VAL A . n A 1 216 ASN 216 216 216 ASN ASN A . n A 1 217 GLN 217 217 217 GLN GLN A . n A 1 218 GLU 218 218 218 GLU GLU A . n A 1 219 ALA 219 219 219 ALA ALA A . n A 1 220 SER 220 220 220 SER SER A . n A 1 221 ASP 221 221 221 ASP ASP A . n A 1 222 HIS 222 222 222 HIS HIS A . n A 1 223 GLY 223 223 223 GLY GLY A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 ALA 225 225 225 ALA ALA A . n A 1 226 TYR 226 226 226 TYR TYR A . n A 1 227 LEU 227 227 227 LEU LEU A . n A 1 228 PRO 228 228 228 PRO PRO A . n A 1 229 PHE 229 229 229 PHE PHE A . n A 1 230 ASN 230 230 230 ASN ASN A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 LYS 232 232 232 LYS LYS A . n A 1 233 LYS 233 233 233 LYS LYS A . n A 1 234 PRO 234 234 234 PRO PRO A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 PRO 236 236 236 PRO PRO A . n A 1 237 CYS 237 237 237 CYS CYS A . n A 1 238 GLU 238 238 238 GLU GLU A . n A 1 239 PHE 239 239 239 PHE PHE A . n A 1 240 ILE 240 240 240 ILE ILE A . n A 1 241 ASN 241 241 241 ASN ASN A . n A 1 242 THR 242 242 242 THR THR A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 PRO 247 247 247 PRO PRO A . n A 1 248 CYS 248 248 248 CYS CYS A . n A 1 249 PHE 249 249 249 PHE PHE A . n A 1 250 LEU 250 250 250 LEU LEU A . n A 1 251 ALA 251 251 251 ALA ALA A . n A 1 252 GLY 252 252 252 GLY GLY A . n A 1 253 ASP 253 253 253 ASP ASP A . n A 1 254 SER 254 254 254 SER SER A . n A 1 255 ARG 255 255 255 ARG ARG A . n A 1 256 ALA 256 256 256 ALA ALA A . n A 1 257 SER 257 257 257 SER SER A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 GLN 259 259 259 GLN GLN A . n A 1 260 ILE 260 260 260 ILE ILE A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 LEU 262 262 262 LEU LEU A . n A 1 263 ALA 263 263 263 ALA ALA A . n A 1 264 THR 264 264 264 THR THR A . n A 1 265 ALA 265 265 265 ALA ALA A . n A 1 266 HIS 266 266 266 HIS HIS A . n A 1 267 THR 267 267 267 THR THR A . n A 1 268 LEU 268 268 268 LEU LEU A . n A 1 269 LEU 269 269 269 LEU LEU A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 ARG 271 271 271 ARG ARG A . n A 1 272 GLU 272 272 272 GLU GLU A . n A 1 273 HIS 273 273 273 HIS HIS A . n A 1 274 ASN 274 274 274 ASN ASN A . n A 1 275 ARG 275 275 275 ARG ARG A . n A 1 276 LEU 276 276 276 LEU LEU A . n A 1 277 ALA 277 277 277 ALA ALA A . n A 1 278 ARG 278 278 278 ARG ARG A . n A 1 279 GLU 279 279 279 GLU GLU A . n A 1 280 LEU 280 280 280 LEU LEU A . n A 1 281 LYS 281 281 281 LYS LYS A . n A 1 282 LYS 282 282 282 LYS LYS A . n A 1 283 LEU 283 283 283 LEU LEU A . n A 1 284 ASN 284 284 284 ASN ASN A . n A 1 285 PRO 285 285 285 PRO PRO A . n A 1 286 HIS 286 286 286 HIS HIS A . n A 1 287 TRP 287 287 287 TRP TRP A . n A 1 288 ASN 288 288 288 ASN ASN A . n A 1 289 GLY 289 289 289 GLY GLY A . n A 1 290 GLU 290 290 290 GLU GLU A . n A 1 291 LYS 291 291 291 LYS LYS A . n A 1 292 LEU 292 292 292 LEU LEU A . n A 1 293 TYR 293 293 293 TYR TYR A . n A 1 294 GLN 294 294 294 GLN GLN A . n A 1 295 GLU 295 295 295 GLU GLU A . n A 1 296 ALA 296 296 296 ALA ALA A . n A 1 297 ARG 297 297 297 ARG ARG A . n A 1 298 LYS 298 298 298 LYS LYS A . n A 1 299 ILE 299 299 299 ILE ILE A . n A 1 300 LEU 300 300 300 LEU LEU A . n A 1 301 GLY 301 301 301 GLY GLY A . n A 1 302 ALA 302 302 302 ALA ALA A . n A 1 303 PHE 303 303 303 PHE PHE A . n A 1 304 ILE 304 304 304 ILE ILE A . n A 1 305 GLN 305 305 305 GLN GLN A . n A 1 306 ILE 306 306 306 ILE ILE A . n A 1 307 ILE 307 307 307 ILE ILE A . n A 1 308 THR 308 308 308 THR THR A . n A 1 309 PHE 309 309 309 PHE PHE A . n A 1 310 ARG 310 310 310 ARG ARG A . n A 1 311 ASP 311 311 311 ASP ASP A . n A 1 312 TYR 312 312 312 TYR TYR A . n A 1 313 LEU 313 313 313 LEU LEU A . n A 1 314 PRO 314 314 314 PRO PRO A . n A 1 315 ILE 315 315 315 ILE ILE A . n A 1 316 VAL 316 316 316 VAL VAL A . n A 1 317 LEU 317 317 317 LEU LEU A . n A 1 318 GLY 318 318 318 GLY GLY A . n A 1 319 SER 319 319 319 SER SER A . n A 1 320 GLU 320 320 320 GLU GLU A . n A 1 321 MET 321 321 321 MET MET A . n A 1 322 GLN 322 322 322 GLN GLN A . n A 1 323 LYS 323 323 323 LYS LYS A . n A 1 324 TRP 324 324 324 TRP TRP A . n A 1 325 ILE 325 325 325 ILE ILE A . n A 1 326 PRO 326 326 326 PRO PRO A . n A 1 327 PRO 327 327 327 PRO PRO A . n A 1 328 TYR 328 328 328 TYR TYR A . n A 1 329 GLN 329 329 329 GLN GLN A . n A 1 330 GLY 330 330 330 GLY GLY A . n A 1 331 TYR 331 331 331 TYR TYR A . n A 1 332 ASN 332 332 332 ASN ASN A . n A 1 333 ASN 333 333 333 ASN ASN A . n A 1 334 SER 334 334 334 SER SER A . n A 1 335 VAL 335 335 335 VAL VAL A . n A 1 336 ASP 336 336 336 ASP ASP A . n A 1 337 PRO 337 337 337 PRO PRO A . n A 1 338 ARG 338 338 338 ARG ARG A . n A 1 339 ILE 339 339 339 ILE ILE A . n A 1 340 SER 340 340 340 SER SER A . n A 1 341 ASN 341 341 341 ASN ASN A . n A 1 342 VAL 342 342 342 VAL VAL A . n A 1 343 PHE 343 343 343 PHE PHE A . n A 1 344 THR 344 344 344 THR THR A . n A 1 345 PHE 345 345 345 PHE PHE A . n A 1 346 ALA 346 346 346 ALA ALA A . n A 1 347 PHE 347 347 347 PHE PHE A . n A 1 348 ARG 348 348 348 ARG ARG A . n A 1 349 PHE 349 349 349 PHE PHE A . n A 1 350 GLY 350 350 350 GLY GLY A . n A 1 351 HIS 351 351 351 HIS HIS A . n A 1 352 MET 352 352 352 MET MET A . n A 1 353 GLU 353 353 353 GLU GLU A . n A 1 354 VAL 354 354 354 VAL VAL A . n A 1 355 PRO 355 355 355 PRO PRO A . n A 1 356 SER 356 356 356 SER SER A . n A 1 357 THR 357 357 357 THR THR A . n A 1 358 VAL 358 358 358 VAL VAL A . n A 1 359 SER 359 359 359 SER SER A . n A 1 360 ARG 360 360 360 ARG ARG A . n A 1 361 LEU 361 361 361 LEU LEU A . n A 1 362 ASP 362 362 362 ASP ASP A . n A 1 363 GLU 363 363 363 GLU GLU A . n A 1 364 ASN 364 364 364 ASN ASN A . n A 1 365 TYR 365 365 365 TYR TYR A . n A 1 366 GLN 366 366 366 GLN GLN A . n A 1 367 PRO 367 367 367 PRO PRO A . n A 1 368 TRP 368 368 368 TRP TRP A . n A 1 369 GLY 369 369 369 GLY GLY A . n A 1 370 PRO 370 370 370 PRO PRO A . n A 1 371 GLU 371 371 371 GLU GLU A . n A 1 372 ALA 372 372 372 ALA ALA A . n A 1 373 GLU 373 373 373 GLU GLU A . n A 1 374 LEU 374 374 374 LEU LEU A . n A 1 375 PRO 375 375 375 PRO PRO A . n A 1 376 LEU 376 376 376 LEU LEU A . n A 1 377 HIS 377 377 377 HIS HIS A . n A 1 378 THR 378 378 378 THR THR A . n A 1 379 LEU 379 379 379 LEU LEU A . n A 1 380 PHE 380 380 380 PHE PHE A . n A 1 381 PHE 381 381 381 PHE PHE A . n A 1 382 ASN 382 382 382 ASN ASN A . n A 1 383 THR 383 383 383 THR THR A . n A 1 384 TRP 384 384 384 TRP TRP A . n A 1 385 ARG 385 385 385 ARG ARG A . n A 1 386 ILE 386 386 386 ILE ILE A . n A 1 387 ILE 387 387 387 ILE ILE A . n A 1 388 LYS 388 388 388 LYS LYS A . n A 1 389 ASP 389 389 389 ASP ASP A . n A 1 390 GLY 390 390 390 GLY GLY A . n A 1 391 GLY 391 391 391 GLY GLY A . n A 1 392 ILE 392 392 392 ILE ILE A . n A 1 393 ASP 393 393 393 ASP ASP A . n A 1 394 PRO 394 394 394 PRO PRO A . n A 1 395 LEU 395 395 395 LEU LEU A . n A 1 396 VAL 396 396 396 VAL VAL A . n A 1 397 ARG 397 397 397 ARG ARG A . n A 1 398 GLY 398 398 398 GLY GLY A . n A 1 399 LEU 399 399 399 LEU LEU A . n A 1 400 LEU 400 400 400 LEU LEU A . n A 1 401 ALA 401 401 401 ALA ALA A . n A 1 402 LYS 402 402 402 LYS LYS A . n A 1 403 LYS 403 403 403 LYS LYS A . n A 1 404 SER 404 404 404 SER SER A . n A 1 405 LYS 405 405 405 LYS LYS A . n A 1 406 LEU 406 406 406 LEU LEU A . n A 1 407 MET 407 407 407 MET MET A . n A 1 408 ASN 408 408 408 ASN ASN A . n A 1 409 GLN 409 409 409 GLN GLN A . n A 1 410 LYS 410 410 410 LYS LYS A . n A 1 411 LYS 411 411 411 LYS LYS A . n A 1 412 MET 412 412 412 MET MET A . n A 1 413 VAL 413 413 413 VAL VAL A . n A 1 414 THR 414 414 414 THR THR A . n A 1 415 SER 415 415 415 SER SER A . n A 1 416 GLU 416 416 416 GLU GLU A . n A 1 417 LEU 417 417 417 LEU LEU A . n A 1 418 ARG 418 418 418 ARG ARG A . n A 1 419 ASN 419 419 419 ASN ASN A . n A 1 420 LYS 420 420 420 LYS LYS A . n A 1 421 LEU 421 421 421 LEU LEU A . n A 1 422 PHE 422 422 422 PHE PHE A . n A 1 423 GLN 423 423 423 GLN GLN A . n A 1 424 PRO 424 424 424 PRO PRO A . n A 1 425 THR 425 425 425 THR THR A . n A 1 426 HIS 426 426 426 HIS HIS A . n A 1 427 LYS 427 427 427 LYS LYS A . n A 1 428 ILE 428 428 428 ILE ILE A . n A 1 429 HIS 429 429 429 HIS HIS A . n A 1 430 GLY 430 430 430 GLY GLY A . n A 1 431 PHE 431 431 431 PHE PHE A . n A 1 432 ASP 432 432 432 ASP ASP A . n A 1 433 LEU 433 433 433 LEU LEU A . n A 1 434 ALA 434 434 434 ALA ALA A . n A 1 435 ALA 435 435 435 ALA ALA A . n A 1 436 ILE 436 436 436 ILE ILE A . n A 1 437 ASN 437 437 437 ASN ASN A . n A 1 438 LEU 438 438 438 LEU LEU A . n A 1 439 GLN 439 439 439 GLN GLN A . n A 1 440 ARG 440 440 440 ARG ARG A . n A 1 441 CYS 441 441 441 CYS CYS A . n A 1 442 ARG 442 442 442 ARG ARG A . n A 1 443 ASP 443 443 443 ASP ASP A . n A 1 444 HIS 444 444 444 HIS HIS A . n A 1 445 GLY 445 445 445 GLY GLY A . n A 1 446 MET 446 446 446 MET MET A . n A 1 447 PRO 447 447 447 PRO PRO A . n A 1 448 GLY 448 448 448 GLY GLY A . n A 1 449 TYR 449 449 449 TYR TYR A . n A 1 450 ASN 450 450 450 ASN ASN A . n A 1 451 SER 451 451 451 SER SER A . n A 1 452 TRP 452 452 452 TRP TRP A . n A 1 453 ARG 453 453 453 ARG ARG A . n A 1 454 GLY 454 454 454 GLY GLY A . n A 1 455 PHE 455 455 455 PHE PHE A . n A 1 456 CYS 456 456 456 CYS CYS A . n A 1 457 GLY 457 457 457 GLY GLY A . n A 1 458 LEU 458 458 458 LEU LEU A . n A 1 459 SER 459 459 459 SER SER A . n A 1 460 GLN 460 460 460 GLN GLN A . n A 1 461 PRO 461 461 461 PRO PRO A . n A 1 462 LYS 462 462 462 LYS LYS A . n A 1 463 THR 463 463 463 THR THR A . n A 1 464 LEU 464 464 464 LEU LEU A . n A 1 465 LYS 465 465 465 LYS LYS A . n A 1 466 GLY 466 466 466 GLY GLY A . n A 1 467 LEU 467 467 467 LEU LEU A . n A 1 468 GLN 468 468 468 GLN GLN A . n A 1 469 THR 469 469 469 THR THR A . n A 1 470 VAL 470 470 470 VAL VAL A . n A 1 471 LEU 471 471 471 LEU LEU A . n A 1 472 LYS 472 472 472 LYS LYS A . n A 1 473 ASN 473 473 473 ASN ASN A . n A 1 474 LYS 474 474 474 LYS LYS A . n A 1 475 ILE 475 475 475 ILE ILE A . n A 1 476 LEU 476 476 476 LEU LEU A . n A 1 477 ALA 477 477 477 ALA ALA A . n A 1 478 LYS 478 478 478 LYS LYS A . n A 1 479 LYS 479 479 479 LYS LYS A . n A 1 480 LEU 480 480 480 LEU LEU A . n A 1 481 MET 481 481 481 MET MET A . n A 1 482 ASP 482 482 482 ASP ASP A . n A 1 483 LEU 483 483 483 LEU LEU A . n A 1 484 TYR 484 484 484 TYR TYR A . n A 1 485 LYS 485 485 485 LYS LYS A . n A 1 486 THR 486 486 486 THR THR A . n A 1 487 PRO 487 487 487 PRO PRO A . n A 1 488 ASP 488 488 488 ASP ASP A . n A 1 489 ASN 489 489 489 ASN ASN A . n A 1 490 ILE 490 490 490 ILE ILE A . n A 1 491 ASP 491 491 491 ASP ASP A . n A 1 492 ILE 492 492 492 ILE ILE A . n A 1 493 TRP 493 493 493 TRP TRP A . n A 1 494 ILE 494 494 494 ILE ILE A . n A 1 495 GLY 495 495 495 GLY GLY A . n A 1 496 GLY 496 496 496 GLY GLY A . n A 1 497 ASN 497 497 497 ASN ASN A . n A 1 498 ALA 498 498 498 ALA ALA A . n A 1 499 GLU 499 499 499 GLU GLU A . n A 1 500 PRO 500 500 500 PRO PRO A . n A 1 501 MET 501 501 501 MET MET A . n A 1 502 VAL 502 502 502 VAL VAL A . n A 1 503 GLU 503 503 503 GLU GLU A . n A 1 504 ARG 504 504 504 ARG ARG A . n A 1 505 GLY 505 505 505 GLY GLY A . n A 1 506 ARG 506 506 506 ARG ARG A . n A 1 507 VAL 507 507 507 VAL VAL A . n A 1 508 GLY 508 508 508 GLY GLY A . n A 1 509 PRO 509 509 509 PRO PRO A . n A 1 510 LEU 510 510 510 LEU LEU A . n A 1 511 LEU 511 511 511 LEU LEU A . n A 1 512 ALA 512 512 512 ALA ALA A . n A 1 513 CYS 513 513 513 CYS CYS A . n A 1 514 LEU 514 514 514 LEU LEU A . n A 1 515 LEU 515 515 515 LEU LEU A . n A 1 516 GLY 516 516 516 GLY GLY A . n A 1 517 ARG 517 517 517 ARG ARG A . n A 1 518 GLN 518 518 518 GLN GLN A . n A 1 519 PHE 519 519 519 PHE PHE A . n A 1 520 GLN 520 520 520 GLN GLN A . n A 1 521 GLN 521 521 521 GLN GLN A . n A 1 522 ILE 522 522 522 ILE ILE A . n A 1 523 ARG 523 523 523 ARG ARG A . n A 1 524 ASP 524 524 524 ASP ASP A . n A 1 525 GLY 525 525 525 GLY GLY A . n A 1 526 ASP 526 526 526 ASP ASP A . n A 1 527 ARG 527 527 527 ARG ARG A . n A 1 528 PHE 528 528 528 PHE PHE A . n A 1 529 TRP 529 529 529 TRP TRP A . n A 1 530 TRP 530 530 530 TRP TRP A . n A 1 531 GLU 531 531 531 GLU GLU A . n A 1 532 ASN 532 532 532 ASN ASN A . n A 1 533 PRO 533 533 533 PRO PRO A . n A 1 534 GLY 534 534 534 GLY GLY A . n A 1 535 VAL 535 535 535 VAL VAL A . n A 1 536 PHE 536 536 536 PHE PHE A . n A 1 537 THR 537 537 537 THR THR A . n A 1 538 GLU 538 538 538 GLU GLU A . n A 1 539 LYS 539 539 539 LYS LYS A . n A 1 540 GLN 540 540 540 GLN GLN A . n A 1 541 ARG 541 541 541 ARG ARG A . n A 1 542 ASP 542 542 542 ASP ASP A . n A 1 543 SER 543 543 543 SER SER A . n A 1 544 LEU 544 544 544 LEU LEU A . n A 1 545 GLN 545 545 545 GLN GLN A . n A 1 546 LYS 546 546 546 LYS LYS A . n A 1 547 MET 547 547 547 MET MET A . n A 1 548 SER 548 548 548 SER SER A . n A 1 549 PHE 549 549 549 PHE PHE A . n A 1 550 SER 550 550 550 SER SER A . n A 1 551 ARG 551 551 551 ARG ARG A . n A 1 552 LEU 552 552 552 LEU LEU A . n A 1 553 ILE 553 553 553 ILE ILE A . n A 1 554 CYS 554 554 554 CYS CYS A . n A 1 555 ASP 555 555 555 ASP ASP A . n A 1 556 ASN 556 556 556 ASN ASN A . n A 1 557 THR 557 557 557 THR THR A . n A 1 558 HIS 558 558 558 HIS HIS A . n A 1 559 ILE 559 559 559 ILE ILE A . n A 1 560 THR 560 560 560 THR THR A . n A 1 561 LYS 561 561 561 LYS LYS A . n A 1 562 VAL 562 562 562 VAL VAL A . n A 1 563 PRO 563 563 563 PRO PRO A . n A 1 564 LEU 564 564 564 LEU LEU A . n A 1 565 HIS 565 565 565 HIS HIS A . n A 1 566 ALA 566 566 566 ALA ALA A . n A 1 567 PHE 567 567 567 PHE PHE A . n A 1 568 GLN 568 568 568 GLN GLN A . n A 1 569 ALA 569 569 569 ALA ALA A . n A 1 570 ASN 570 570 570 ASN ASN A . n A 1 571 ASN 571 571 571 ASN ASN A . n A 1 572 TYR 572 572 572 TYR TYR A . n A 1 573 PRO 573 573 573 PRO PRO A . n A 1 574 HIS 574 574 574 HIS HIS A . n A 1 575 ASP 575 575 575 ASP ASP A . n A 1 576 PHE 576 576 576 PHE PHE A . n A 1 577 VAL 577 577 577 VAL VAL A . n A 1 578 ASP 578 578 578 ASP ASP A . n A 1 579 CYS 579 579 579 CYS CYS A . n A 1 580 SER 580 580 580 SER SER A . n A 1 581 THR 581 581 581 THR THR A . n A 1 582 VAL 582 582 582 VAL VAL A . n A 1 583 ASP 583 583 583 ASP ASP A . n A 1 584 LYS 584 584 584 LYS LYS A . n A 1 585 LEU 585 585 585 LEU LEU A . n A 1 586 ASP 586 586 586 ASP ASP A . n A 1 587 LEU 587 587 587 LEU LEU A . n A 1 588 SER 588 588 588 SER SER A . n A 1 589 PRO 589 589 589 PRO PRO A . n A 1 590 TRP 590 590 590 TRP TRP A . n A 1 591 ALA 591 591 591 ALA ALA A . n A 1 592 SER 592 592 592 SER SER A . n A 1 593 ARG 593 593 593 ARG ARG A . n A 1 594 GLU 594 594 594 GLU GLU A . n A 1 595 ASN 595 595 595 ASN ASN 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 SO4 1 801 801 SO4 SO4 A . C 3 OSM 1 802 802 OSM OSM A . D 4 IOD 1 803 803 IOD IOD A . E 4 IOD 1 804 804 IOD IOD A . F 4 IOD 1 805 805 IOD IOD A . G 5 PGE 1 806 806 PGE PGE A . H 5 PGE 1 807 807 PGE PGE A . I 6 NAG 1 808 808 NAG NAG A . J 6 NAG 1 809 809 NAG NAG A . K 6 NAG 1 810 810 NAG NAG A . L 6 NAG 2 811 811 NAG NAG A . M 6 NAG 1 812 812 NAG NAG A . N 7 CA 1 813 813 CA CA A . O 4 IOD 1 814 814 IOD IOD A . P 4 IOD 1 815 815 IOD IOD A . Q 4 IOD 1 816 816 IOD IOD A . R 4 IOD 1 817 817 IOD IOD A . S 4 IOD 1 818 818 IOD IOD A . T 4 IOD 1 819 819 IOD IOD A . U 8 HEM 1 820 820 HEM HEM A . V 9 HOH 1 901 901 HOH HOH A . V 9 HOH 2 902 902 HOH HOH A . V 9 HOH 3 903 904 HOH HOH A . V 9 HOH 4 904 905 HOH HOH A . V 9 HOH 5 905 906 HOH HOH A . V 9 HOH 6 906 908 HOH HOH A . V 9 HOH 7 907 907 HOH HOH A . V 9 HOH 8 908 909 HOH HOH A . V 9 HOH 9 909 910 HOH HOH A . V 9 HOH 10 910 911 HOH HOH A . V 9 HOH 11 911 912 HOH HOH A . V 9 HOH 12 912 913 HOH HOH A . V 9 HOH 13 913 914 HOH HOH A . V 9 HOH 14 914 915 HOH HOH A . V 9 HOH 15 915 916 HOH HOH A . V 9 HOH 16 916 917 HOH HOH A . V 9 HOH 17 917 918 HOH HOH A . V 9 HOH 18 918 919 HOH HOH A . V 9 HOH 19 919 920 HOH HOH A . V 9 HOH 20 920 921 HOH HOH A . V 9 HOH 21 921 922 HOH HOH A . V 9 HOH 22 922 924 HOH HOH A . V 9 HOH 23 923 923 HOH HOH A . V 9 HOH 24 924 925 HOH HOH A . V 9 HOH 25 925 927 HOH HOH A . V 9 HOH 26 926 926 HOH HOH A . V 9 HOH 27 927 928 HOH HOH A . V 9 HOH 28 928 929 HOH HOH A . V 9 HOH 29 929 931 HOH HOH A . V 9 HOH 30 930 930 HOH HOH A . V 9 HOH 31 931 933 HOH HOH A . V 9 HOH 32 932 932 HOH HOH A . V 9 HOH 33 933 934 HOH HOH A . V 9 HOH 34 934 935 HOH HOH A . V 9 HOH 35 935 936 HOH HOH A . V 9 HOH 36 936 937 HOH HOH A . V 9 HOH 37 937 940 HOH HOH A . V 9 HOH 38 938 939 HOH HOH A . V 9 HOH 39 939 938 HOH HOH A . V 9 HOH 40 940 941 HOH HOH A . V 9 HOH 41 941 942 HOH HOH A . V 9 HOH 42 942 943 HOH HOH A . V 9 HOH 43 943 944 HOH HOH A . V 9 HOH 44 944 945 HOH HOH A . V 9 HOH 45 945 948 HOH HOH A . V 9 HOH 46 946 947 HOH HOH A . V 9 HOH 47 947 949 HOH HOH A . V 9 HOH 48 948 946 HOH HOH A . V 9 HOH 49 949 950 HOH HOH A . V 9 HOH 50 950 951 HOH HOH A . V 9 HOH 51 951 953 HOH HOH A . V 9 HOH 52 952 952 HOH HOH A . V 9 HOH 53 953 954 HOH HOH A . V 9 HOH 54 954 955 HOH HOH A . V 9 HOH 55 955 956 HOH HOH A . V 9 HOH 56 956 957 HOH HOH A . V 9 HOH 57 957 960 HOH HOH A . V 9 HOH 58 958 959 HOH HOH A . V 9 HOH 59 959 961 HOH HOH A . V 9 HOH 60 960 963 HOH HOH A . V 9 HOH 61 961 958 HOH HOH A . V 9 HOH 62 962 964 HOH HOH A . V 9 HOH 63 963 962 HOH HOH A . V 9 HOH 64 964 966 HOH HOH A . V 9 HOH 65 965 969 HOH HOH A . V 9 HOH 66 966 967 HOH HOH A . V 9 HOH 67 967 972 HOH HOH A . V 9 HOH 68 968 968 HOH HOH A . V 9 HOH 69 969 971 HOH HOH A . V 9 HOH 70 970 970 HOH HOH A . V 9 HOH 71 971 965 HOH HOH A . V 9 HOH 72 972 975 HOH HOH A . V 9 HOH 73 973 973 HOH HOH A . V 9 HOH 74 974 974 HOH HOH A . V 9 HOH 75 975 978 HOH HOH A . V 9 HOH 76 976 977 HOH HOH A . V 9 HOH 77 977 979 HOH HOH A . V 9 HOH 78 978 976 HOH HOH A . V 9 HOH 79 979 980 HOH HOH A . V 9 HOH 80 980 982 HOH HOH A . V 9 HOH 81 981 988 HOH HOH A . V 9 HOH 82 982 983 HOH HOH A . V 9 HOH 83 983 981 HOH HOH A . V 9 HOH 84 984 986 HOH HOH A . V 9 HOH 85 985 985 HOH HOH A . V 9 HOH 86 986 984 HOH HOH A . V 9 HOH 87 987 991 HOH HOH A . V 9 HOH 88 988 989 HOH HOH A . V 9 HOH 89 989 987 HOH HOH A . V 9 HOH 90 990 990 HOH HOH A . V 9 HOH 91 991 992 HOH HOH A . V 9 HOH 92 992 993 HOH HOH A . V 9 HOH 93 993 996 HOH HOH A . V 9 HOH 94 994 997 HOH HOH A . V 9 HOH 95 995 995 HOH HOH A . V 9 HOH 96 996 998 HOH HOH A . V 9 HOH 97 997 994 HOH HOH A . V 9 HOH 98 998 999 HOH HOH A . V 9 HOH 99 999 1000 HOH HOH A . V 9 HOH 100 1000 1001 HOH HOH A . V 9 HOH 101 1001 1002 HOH HOH A . V 9 HOH 102 1002 1004 HOH HOH A . V 9 HOH 103 1003 1005 HOH HOH A . V 9 HOH 104 1004 1003 HOH HOH A . V 9 HOH 105 1005 1006 HOH HOH A . V 9 HOH 106 1006 1007 HOH HOH A . V 9 HOH 107 1007 1008 HOH HOH A . V 9 HOH 108 1008 1011 HOH HOH A . V 9 HOH 109 1009 1010 HOH HOH A . V 9 HOH 110 1010 1012 HOH HOH A . V 9 HOH 111 1011 1009 HOH HOH A . V 9 HOH 112 1012 1016 HOH HOH A . V 9 HOH 113 1013 1013 HOH HOH A . V 9 HOH 114 1014 1014 HOH HOH A . V 9 HOH 115 1015 1017 HOH HOH A . V 9 HOH 116 1016 1015 HOH HOH A . V 9 HOH 117 1017 1019 HOH HOH A . V 9 HOH 118 1018 1018 HOH HOH A . V 9 HOH 119 1019 1020 HOH HOH A . V 9 HOH 120 1020 1021 HOH HOH A . V 9 HOH 121 1021 1023 HOH HOH A . V 9 HOH 122 1022 1024 HOH HOH A . V 9 HOH 123 1023 1022 HOH HOH A . V 9 HOH 124 1024 1025 HOH HOH A . V 9 HOH 125 1025 1026 HOH HOH A . V 9 HOH 126 1026 1027 HOH HOH A . V 9 HOH 127 1027 1028 HOH HOH A . V 9 HOH 128 1028 1030 HOH HOH A . V 9 HOH 129 1029 1029 HOH HOH A . V 9 HOH 130 1030 1031 HOH HOH A . V 9 HOH 131 1031 1034 HOH HOH A . V 9 HOH 132 1032 1035 HOH HOH A . V 9 HOH 133 1033 1032 HOH HOH A . V 9 HOH 134 1034 1033 HOH HOH A . V 9 HOH 135 1035 1037 HOH HOH A . V 9 HOH 136 1036 1038 HOH HOH A . V 9 HOH 137 1037 1036 HOH HOH A . V 9 HOH 138 1038 1039 HOH HOH A . V 9 HOH 139 1039 1040 HOH HOH A . V 9 HOH 140 1040 1042 HOH HOH A . V 9 HOH 141 1041 1041 HOH HOH A . V 9 HOH 142 1042 1043 HOH HOH A . V 9 HOH 143 1043 1044 HOH HOH A . V 9 HOH 144 1044 1045 HOH HOH A . V 9 HOH 145 1045 1046 HOH HOH A . V 9 HOH 146 1046 1047 HOH HOH A . V 9 HOH 147 1047 1048 HOH HOH A . V 9 HOH 148 1048 1049 HOH HOH A . V 9 HOH 149 1049 903 HOH HOH A . V 9 HOH 150 1050 1052 HOH HOH A . V 9 HOH 151 1051 1050 HOH HOH A . V 9 HOH 152 1052 1051 HOH HOH A . V 9 HOH 153 1053 1053 HOH HOH A . V 9 HOH 154 1054 1054 HOH HOH A . V 9 HOH 155 1055 1055 HOH HOH A . V 9 HOH 156 1056 1056 HOH HOH A . V 9 HOH 157 1057 1057 HOH HOH A . V 9 HOH 158 1058 1059 HOH HOH A . V 9 HOH 159 1059 1058 HOH HOH A . V 9 HOH 160 1060 1060 HOH HOH A . V 9 HOH 161 1061 1061 HOH HOH A . V 9 HOH 162 1062 1062 HOH HOH A . V 9 HOH 163 1063 1063 HOH HOH A . V 9 HOH 164 1064 1064 HOH HOH A . V 9 HOH 165 1065 1065 HOH HOH A . V 9 HOH 166 1066 1066 HOH HOH A . V 9 HOH 167 1067 1069 HOH HOH A . V 9 HOH 168 1068 1067 HOH HOH A . V 9 HOH 169 1069 1068 HOH HOH A . V 9 HOH 170 1070 1070 HOH HOH A . V 9 HOH 171 1071 1071 HOH HOH A . V 9 HOH 172 1072 1072 HOH HOH A . V 9 HOH 173 1073 1073 HOH HOH A . V 9 HOH 174 1074 1074 HOH HOH A . V 9 HOH 175 1075 1075 HOH HOH A . V 9 HOH 176 1076 1077 HOH HOH A . V 9 HOH 177 1077 1078 HOH HOH A . V 9 HOH 178 1078 1076 HOH HOH A . V 9 HOH 179 1079 1079 HOH HOH A . V 9 HOH 180 1080 1080 HOH HOH A . V 9 HOH 181 1081 1081 HOH HOH A . V 9 HOH 182 1082 1082 HOH HOH A . V 9 HOH 183 1083 1084 HOH HOH A . V 9 HOH 184 1084 1083 HOH HOH A . V 9 HOH 185 1085 1085 HOH HOH A . V 9 HOH 186 1086 1086 HOH HOH A . V 9 HOH 187 1087 1087 HOH HOH A . V 9 HOH 188 1088 1088 HOH HOH A . V 9 HOH 189 1089 1090 HOH HOH A . V 9 HOH 190 1090 1089 HOH HOH A . V 9 HOH 191 1091 1091 HOH HOH A . V 9 HOH 192 1092 1092 HOH HOH A . V 9 HOH 193 1093 1093 HOH HOH A . V 9 HOH 194 1094 1094 HOH HOH A . V 9 HOH 195 1095 1095 HOH HOH A . V 9 HOH 196 1096 1097 HOH HOH A . V 9 HOH 197 1097 1096 HOH HOH A . V 9 HOH 198 1098 1098 HOH HOH A . V 9 HOH 199 1099 1100 HOH HOH A . V 9 HOH 200 1100 1099 HOH HOH A . V 9 HOH 201 1101 1101 HOH HOH A . V 9 HOH 202 1102 1106 HOH HOH A . V 9 HOH 203 1103 1103 HOH HOH A . V 9 HOH 204 1104 1105 HOH HOH A . V 9 HOH 205 1105 1102 HOH HOH A . V 9 HOH 206 1106 1104 HOH HOH A . V 9 HOH 207 1107 1107 HOH HOH A . V 9 HOH 208 1108 1108 HOH HOH A . V 9 HOH 209 1109 1110 HOH HOH A . V 9 HOH 210 1110 1109 HOH HOH A . V 9 HOH 211 1111 1111 HOH HOH A . V 9 HOH 212 1112 1114 HOH HOH A . V 9 HOH 213 1113 1112 HOH HOH A . V 9 HOH 214 1114 1113 HOH HOH A . V 9 HOH 215 1115 1115 HOH HOH A . V 9 HOH 216 1116 1116 HOH HOH A . V 9 HOH 217 1117 1117 HOH HOH A . V 9 HOH 218 1118 1118 HOH HOH A . V 9 HOH 219 1119 1119 HOH HOH A . V 9 HOH 220 1120 1120 HOH HOH A . V 9 HOH 221 1121 1121 HOH HOH A . V 9 HOH 222 1122 1122 HOH HOH A . V 9 HOH 223 1123 1123 HOH HOH A . V 9 HOH 224 1124 1124 HOH HOH A . V 9 HOH 225 1125 1125 HOH HOH A . V 9 HOH 226 1126 1126 HOH HOH A . V 9 HOH 227 1127 1127 HOH HOH A . V 9 HOH 228 1128 1128 HOH HOH A . V 9 HOH 229 1129 1129 HOH HOH A . V 9 HOH 230 1130 1130 HOH HOH A . V 9 HOH 231 1131 1131 HOH HOH A . V 9 HOH 232 1132 1133 HOH HOH A . V 9 HOH 233 1133 1132 HOH HOH A . V 9 HOH 234 1134 1134 HOH HOH A . V 9 HOH 235 1135 1135 HOH HOH A . V 9 HOH 236 1136 1136 HOH HOH A . V 9 HOH 237 1137 1137 HOH HOH A . V 9 HOH 238 1138 1138 HOH HOH A . V 9 HOH 239 1139 1139 HOH HOH A . V 9 HOH 240 1140 1140 HOH HOH A . V 9 HOH 241 1141 1141 HOH HOH A . V 9 HOH 242 1142 1142 HOH HOH A . V 9 HOH 243 1143 1143 HOH HOH A . V 9 HOH 244 1144 1144 HOH HOH A . V 9 HOH 245 1145 1146 HOH HOH A . V 9 HOH 246 1146 1145 HOH HOH A . V 9 HOH 247 1147 1147 HOH HOH A . V 9 HOH 248 1148 1148 HOH HOH A . V 9 HOH 249 1149 1149 HOH HOH A . V 9 HOH 250 1150 1150 HOH HOH A . V 9 HOH 251 1151 1151 HOH HOH A . V 9 HOH 252 1152 1152 HOH HOH A . V 9 HOH 253 1153 1156 HOH HOH A . V 9 HOH 254 1154 1154 HOH HOH A . V 9 HOH 255 1155 1155 HOH HOH A . V 9 HOH 256 1156 1157 HOH HOH A . V 9 HOH 257 1157 1158 HOH HOH A . V 9 HOH 258 1158 1159 HOH HOH A . V 9 HOH 259 1159 1161 HOH HOH A . V 9 HOH 260 1160 1160 HOH HOH A . V 9 HOH 261 1161 1162 HOH HOH A . V 9 HOH 262 1162 1163 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id SEP _pdbx_struct_mod_residue.label_seq_id 198 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id SEP _pdbx_struct_mod_residue.auth_seq_id 198 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id SER _pdbx_struct_mod_residue.details 'modified residue' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 2750 ? 1 MORE -26 ? 1 'SSA (A^2)' 24840 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 78.2 ? 2 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 74.2 ? 3 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 141.2 ? 4 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 129.5 ? 5 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 147.2 ? 6 O ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 70.8 ? 7 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 117.7 ? 8 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 81.8 ? 9 O ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 87.5 ? 10 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 96.0 ? 11 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 144.4 ? 12 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 74.5 ? 13 O ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 140.1 ? 14 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 72.9 ? 15 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 80.5 ? 16 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 79.7 ? 17 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 84.1 ? 18 O ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 116.5 ? 19 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 84.5 ? 20 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 154.4 ? 21 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 CA ? N CA . ? A CA 813 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 75.2 ? 22 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NA ? U HEM . ? A HEM 820 ? 1_555 96.9 ? 23 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NB ? U HEM . ? A HEM 820 ? 1_555 95.4 ? 24 NA ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NB ? U HEM . ? A HEM 820 ? 1_555 88.3 ? 25 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NC ? U HEM . ? A HEM 820 ? 1_555 85.6 ? 26 NA ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NC ? U HEM . ? A HEM 820 ? 1_555 177.4 ? 27 NB ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 NC ? U HEM . ? A HEM 820 ? 1_555 90.8 ? 28 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 ND ? U HEM . ? A HEM 820 ? 1_555 87.0 ? 29 NA ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 ND ? U HEM . ? A HEM 820 ? 1_555 91.6 ? 30 NB ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 ND ? U HEM . ? A HEM 820 ? 1_555 177.6 ? 31 NC ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 ND ? U HEM . ? A HEM 820 ? 1_555 89.2 ? 32 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 O ? V HOH . ? A HOH 952 ? 1_555 173.8 ? 33 NA ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 O ? V HOH . ? A HOH 952 ? 1_555 77.1 ? 34 NB ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 O ? V HOH . ? A HOH 952 ? 1_555 82.9 ? 35 NC ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 O ? V HOH . ? A HOH 952 ? 1_555 100.3 ? 36 ND ? U HEM . ? A HEM 820 ? 1_555 FE ? U HEM . ? A HEM 820 ? 1_555 O ? V HOH . ? A HOH 952 ? 1_555 94.7 ? # 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 2016-07-13 2 'Structure model' 1 1 2017-01-25 # _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_ _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 ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0135 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 # 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 OE2 A GLU 258 ? B CMB A HEM 820 ? ? 1.61 2 1 O A LYS 126 ? ? OE1 A GLU 130 ? ? 2.00 3 1 O A ASN 230 ? ? O A HOH 902 ? ? 2.10 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 964 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 1094 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 2_445 _pdbx_validate_symm_contact.dist 1.91 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 353 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OE1 _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 353 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.328 _pdbx_validate_rmsd_bond.bond_target_value 1.252 _pdbx_validate_rmsd_bond.bond_deviation 0.076 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH1 A ARG 31 ? ? 123.99 120.30 3.69 0.50 N 2 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH2 A ARG 31 ? ? 117.27 120.30 -3.03 0.50 N 3 1 CA A CYS 129 ? ? CB A CYS 129 ? ? SG A CYS 129 ? ? 121.38 114.20 7.18 1.10 N 4 1 N A LYS 232 ? ? CA A LYS 232 ? ? C A LYS 232 ? ? 93.84 111.00 -17.16 2.70 N 5 1 CA A GLU 258 ? ? CB A GLU 258 ? ? CG A GLU 258 ? A 143.39 113.40 29.99 2.20 N 6 1 CA A GLU 258 ? ? CB A GLU 258 ? ? CG A GLU 258 ? B 131.22 113.40 17.82 2.20 N 7 1 CB A ASP 362 ? ? CG A ASP 362 ? ? OD1 A ASP 362 ? ? 124.87 118.30 6.57 0.90 N 8 1 CB A ASP 362 ? ? CG A ASP 362 ? ? OD2 A ASP 362 ? ? 112.37 118.30 -5.93 0.90 N 9 1 NE A ARG 440 ? ? CZ A ARG 440 ? ? NH1 A ARG 440 ? ? 123.80 120.30 3.50 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PRO A 9 ? ? 31.14 -121.39 2 1 VAL A 13 ? ? 78.35 157.18 3 1 GLU A 17 ? ? -38.20 -38.14 4 1 ALA A 56 ? ? -151.53 -20.11 5 1 ASP A 137 ? ? 54.90 -126.34 6 1 THR A 169 ? ? 132.80 -41.69 7 1 TYR A 172 ? ? -170.25 149.80 8 1 SER A 174 ? ? -164.39 -93.89 9 1 GLU A 371 ? ? -109.95 56.89 10 1 ASP A 389 ? ? -145.59 47.53 11 1 THR A 425 ? ? 152.60 -45.54 12 1 LYS A 427 ? ? 118.31 -3.26 13 1 ASN A 473 ? ? -163.74 107.55 14 1 LYS A 485 ? ? 62.32 -22.52 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 CYS A 15 ? ? ASP A 16 ? ? 143.85 2 1 CYS A 167 ? ? PRO A 168 ? ? -144.83 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id A _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 1162 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 7.68 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'SULFATE ION' SO4 3 '1-(OXIDOSULFANYL)METHANAMINE' OSM 4 'IODIDE ION' IOD 5 'TRIETHYLENE GLYCOL' PGE 6 N-ACETYL-D-GLUCOSAMINE NAG 7 'CALCIUM ION' CA 8 'PROTOPORPHYRIN IX CONTAINING FE' HEM 9 water HOH #